From f4401393532807752d0817523b6b4f9754609104 Mon Sep 17 00:00:00 2001 From: Vincent Emonet Date: Mon, 18 Jan 2021 11:44:28 +0100 Subject: [PATCH] add archived_datasets folder with old mappings --- .github/workflows/sparql-map-uniprot.yml | 42 + .github/workflows/sparql-map-wikipathways.yml | 42 + archived-datasets/date/config.yml | 55 + archived-datasets/date/download/download.sh | 15 + archived-datasets/date/mapping/insert-date.rq | 91 + .../date/mapping/map-date.rml.ttl | 88 + .../date/mapping/map-date.yarrr.yml | 52 + .../date/metadata/metadata-date-0-summary.rq | 76 + .../date/metadata/metadata-date-1.rq | 163 + archived-datasets/date/process-date.ipynb | 108 + archived-datasets/drugcentral/config.yml | 57 + .../drugcentral/download/download.sh | 17 + .../download/drug.target.interaction.tsv | 17391 ++++++++++++++++ .../mapping/csv-drug-interactions.yarrr.yml | 42 + .../drugcentral/mapping/csv_mapping.rml.ttl | 428 + .../drugcentral/mapping/sql-mapping.yarrr.yml | 51 + .../drugcentral/mapping/sql_mapping.r2rml.ttl | 14 + .../metadata/metadata-dataset-0-summary.rq | 76 + .../metadata/metadata-dataset-1.rq | 163 + .../drugcentral/process-drugcentral.ipynb | 133 + archived-datasets/facefp13/config.yml | 48 + .../facefp13/download/download.sh | 72 + archived-datasets/facefp13/mapping/test.rq | 47 + archived-datasets/facefp13/mapping/train.rq | 48 + .../metadata/metadata-template-0-summary.rq | 70 + .../facefp13/metadata/metadata-template-1.rq | 156 + archived-datasets/gote/config.yml | 55 + archived-datasets/gote/download/download.sh | 30 + archived-datasets/gote/mapping/insert-gote.rq | 77 + .../gote/metadata/metadata-gote-0-summary.rq | 76 + .../gote/metadata/metadata-gote-1.rq | 163 + archived-datasets/gote/process-gote.ipynb | 122 + .../00-insert-metadata-summary-biogrid.rq | 117 + ...01-insert-metadata-distribution-biogrid.rq | 387 + .../insert_biogrid.rq | 49 + ...-insert-metadata-summary-pathwaycommons.rq | 127 + ...rt-metadata-distribution-pathwaycommons.rq | 379 + ...pax_interaction_BiochemicalReaction.rq.bck | 43 + ...insert_biopax_interaction_Catalysis.rq.bck | 52 + ...ax_interaction_MolecularInteraction.rq.bck | 97 + .../OLD_insert_wikipathways_Complex.rq.bck | 60 + ...OLD_insert_wikipathways_GeneProduct.rq.bck | 69 + .../OLD_insert_wikipathways_Metabolite.rq.bck | 61 + .../OLD_insert_wikipathways_Rna.rq.bck | 60 + ...ikipathways_interaction_Stimulation.rq.bck | 39 + ...nteraction_TranscriptionTranslation.rq.bck | 41 + .../download.sh | 3 + .../insert_biopax_PathwayStep.rq | 66 + .../insert_biopax_Pathways.rq | 64 + .../insert_biopax_Protein.rq.bck | 66 + ..._biopax_interaction_BiochemicalReaction.rq | 81 + .../insert_biopax_interaction_Catalysis.rq | 80 + .../00-insert-metadata-summary-omim.rq | 117 + .../01-insert-metadata-distribution-omim.rq | 384 + archived-datasets/imported-omim/download.sh | 11 + .../imported-omim/insert-omim-gene.rq | 48 + .../imported-omim/insert-omim-phenotype.rq | 33 + .../00-insert-metadata-summary-phenomenet.rq | 117 + ...insert-metadata-distribution-phenomenet.rq | 385 + .../insert-phenomenet-annotations.rq | 49 + .../insert-phenomenet-ontology.rq | 94 + archived-datasets/mesh/config.yml | 51 + archived-datasets/mesh/download/download.sh | 8 + archived-datasets/mesh/mapping/README.md | 1 + .../metadata/metadata-template-0-summary.rq | 76 + .../mesh/metadata/metadata-template-1.rq | 160 + archived-datasets/monarch/config.yml | 50 + .../monarch/download/download_examples.sh | 67 + .../monarch/download/import-graphdb.sh | 34 + .../monarch/mapping/csv_mapping.rml.ttl | 428 + .../monarch/mapping/json_mapping.rml.ttl | 56 + .../monarch}/mapping/sparql-csv-example.rq | 0 .../mapping/sparql-tsv-cohd_concepts.rq | 0 .../sparql-xml-drugbank_drug_interaction.rq | 0 .../monarch}/mapping/tsv_mapping.rml.ttl.bck | 36 +- .../monarch/mapping/xml_mapping.rml.ttl | 28 + .../metadata/metadata-template-0-summary.rq | 76 + .../monarch/metadata/metadata-template-1.rq | 160 + archived-datasets/omop-drugbank/config.yml | 50 + .../omop-drugbank/download/download.sh | 6 + .../mapping/omop-drugbank-mappings.rq | 37 + .../metadata/metadata-template-0-summary.rq | 76 + .../metadata/metadata-template-1.rq | 163 + .../omop-drugbank/process-omop-drugbank.ipynb | 104 + archived-datasets/stitch/config.yml | 41 + archived-datasets/stitch/download/download.sh | 17 + .../stitch/mapping/insert-stitch.rq | 50 + .../00-insert-metadata-summary-stitch.rq | 118 + .../01-insert-metadata-distribution-stitch.rq | 386 + archived-datasets/string/config.yml | 56 + archived-datasets/string/download/download.sh | 19 + .../string/mapping/insert-string.rq | 91 + .../metadata/metadata-dataset-0-summary.rq | 76 + .../string/metadata/metadata-dataset-1.rq | 163 + archived-datasets/string/process-string.ipynb | 133 + archived-datasets/ugent-covid-kg/config.yml | 51 + .../ugent-covid-kg/download/download.sh | 9 + .../mapping/sparql-link-mesh.rq | 24 + .../metadata/metadata-template-0-summary.rq | 76 + .../metadata/metadata-template-1.rq | 160 + archived-datasets/uniprot/config.yml | 56 + .../uniprot/download/download.sh | 17 + .../mapping/insert-uniprot-organism.rq | 48 + .../uniprot/mapping/insert-uniprot.rq | 93 + .../metadata/metadata-dataset-0-summary.rq | 76 + .../uniprot/metadata/metadata-dataset-1.rq | 163 + .../uniprot/process-uniprot.ipynb | 133 + archived-datasets/wikipathways/config.yml | 56 + .../wikipathways/download/download.sh | 17 + .../mapping/insert_wikipathways_Complex.rq | 69 + .../insert_wikipathways_GeneProduct.rq.txt | 80 + .../mapping/insert_wikipathways_Metabolite.rq | 66 + .../insert_wikipathways_Protein.rq.txt | 70 + .../mapping/insert_wikipathways_Rna.rq | 80 + ...sert_wikipathways_interaction_Catalysis.rq | 43 + ...ert_wikipathways_interaction_Conversion.rq | 47 + ...ert_wikipathways_interaction_Inhibition.rq | 43 + ...rt_wikipathways_interaction_Stimulation.rq | 44 + ...ys_interaction_TranscriptionTranslation.rq | 43 + .../mapping/insert_wikipathways_pathways.rq | 49 + .../metadata/metadata-dataset-0-summary.rq | 76 + .../metadata/metadata-dataset-1.rq | 163 + .../wikipathways/process-wikipathways.ipynb | 133 + archived-datasets/worldbank/config.yml | 56 + .../worldbank/download/download.sh | 5 + .../worldbank/mapping/gdp_mapping.rml.ttl | 79 + .../metadata/metadata-template-0-summary.rq | 76 + .../worldbank/metadata/metadata-template-1.rq | 160 + .../dataset/download/preprocessing.py | 30 + 129 files changed, 28437 insertions(+), 18 deletions(-) create mode 100644 .github/workflows/sparql-map-uniprot.yml create mode 100644 .github/workflows/sparql-map-wikipathways.yml create mode 100644 archived-datasets/date/config.yml create mode 100755 archived-datasets/date/download/download.sh create mode 100644 archived-datasets/date/mapping/insert-date.rq create mode 100644 archived-datasets/date/mapping/map-date.rml.ttl create mode 100644 archived-datasets/date/mapping/map-date.yarrr.yml create mode 100644 archived-datasets/date/metadata/metadata-date-0-summary.rq create mode 100644 archived-datasets/date/metadata/metadata-date-1.rq create mode 100644 archived-datasets/date/process-date.ipynb create mode 100644 archived-datasets/drugcentral/config.yml create mode 100755 archived-datasets/drugcentral/download/download.sh create mode 100644 archived-datasets/drugcentral/download/drug.target.interaction.tsv create mode 100644 archived-datasets/drugcentral/mapping/csv-drug-interactions.yarrr.yml create mode 100644 archived-datasets/drugcentral/mapping/csv_mapping.rml.ttl create mode 100644 archived-datasets/drugcentral/mapping/sql-mapping.yarrr.yml create mode 100644 archived-datasets/drugcentral/mapping/sql_mapping.r2rml.ttl create mode 100644 archived-datasets/drugcentral/metadata/metadata-dataset-0-summary.rq create mode 100644 archived-datasets/drugcentral/metadata/metadata-dataset-1.rq create mode 100644 archived-datasets/drugcentral/process-drugcentral.ipynb create mode 100644 archived-datasets/facefp13/config.yml create mode 100755 archived-datasets/facefp13/download/download.sh create mode 100644 archived-datasets/facefp13/mapping/test.rq create mode 100644 archived-datasets/facefp13/mapping/train.rq create mode 100644 archived-datasets/facefp13/metadata/metadata-template-0-summary.rq create mode 100644 archived-datasets/facefp13/metadata/metadata-template-1.rq create mode 100644 archived-datasets/gote/config.yml create mode 100755 archived-datasets/gote/download/download.sh create mode 100644 archived-datasets/gote/mapping/insert-gote.rq create mode 100644 archived-datasets/gote/metadata/metadata-gote-0-summary.rq create mode 100644 archived-datasets/gote/metadata/metadata-gote-1.rq create mode 100644 archived-datasets/gote/process-gote.ipynb create mode 100644 archived-datasets/imported-biogrid-monarch/00-insert-metadata-summary-biogrid.rq create mode 100644 archived-datasets/imported-biogrid-monarch/01-insert-metadata-distribution-biogrid.rq create mode 100644 archived-datasets/imported-biogrid-monarch/insert_biogrid.rq create mode 100644 archived-datasets/imported-biopax-pathwaycommons/00-insert-metadata-summary-pathwaycommons.rq create mode 100644 archived-datasets/imported-biopax-pathwaycommons/01-insert-metadata-distribution-pathwaycommons.rq create mode 100644 archived-datasets/imported-biopax-pathwaycommons/OLD_insert_biopax_interaction_BiochemicalReaction.rq.bck create mode 100644 archived-datasets/imported-biopax-pathwaycommons/OLD_insert_biopax_interaction_Catalysis.rq.bck create mode 100644 archived-datasets/imported-biopax-pathwaycommons/OLD_insert_biopax_interaction_MolecularInteraction.rq.bck create mode 100644 archived-datasets/imported-biopax-pathwaycommons/OLD_insert_wikipathways_Complex.rq.bck create mode 100644 archived-datasets/imported-biopax-pathwaycommons/OLD_insert_wikipathways_GeneProduct.rq.bck create mode 100644 archived-datasets/imported-biopax-pathwaycommons/OLD_insert_wikipathways_Metabolite.rq.bck create mode 100644 archived-datasets/imported-biopax-pathwaycommons/OLD_insert_wikipathways_Rna.rq.bck create mode 100644 archived-datasets/imported-biopax-pathwaycommons/OLD_insert_wikipathways_interaction_Stimulation.rq.bck create mode 100644 archived-datasets/imported-biopax-pathwaycommons/OLD_insert_wikipathways_interaction_TranscriptionTranslation.rq.bck create mode 100644 archived-datasets/imported-biopax-pathwaycommons/download.sh create mode 100644 archived-datasets/imported-biopax-pathwaycommons/insert_biopax_PathwayStep.rq create mode 100644 archived-datasets/imported-biopax-pathwaycommons/insert_biopax_Pathways.rq create mode 100644 archived-datasets/imported-biopax-pathwaycommons/insert_biopax_Protein.rq.bck create mode 100644 archived-datasets/imported-biopax-pathwaycommons/insert_biopax_interaction_BiochemicalReaction.rq create mode 100644 archived-datasets/imported-biopax-pathwaycommons/insert_biopax_interaction_Catalysis.rq create mode 100644 archived-datasets/imported-omim/00-insert-metadata-summary-omim.rq create mode 100644 archived-datasets/imported-omim/01-insert-metadata-distribution-omim.rq create mode 100644 archived-datasets/imported-omim/download.sh create mode 100644 archived-datasets/imported-omim/insert-omim-gene.rq create mode 100644 archived-datasets/imported-omim/insert-omim-phenotype.rq create mode 100644 archived-datasets/imported-phenomenet/00-insert-metadata-summary-phenomenet.rq create mode 100644 archived-datasets/imported-phenomenet/01-insert-metadata-distribution-phenomenet.rq create mode 100644 archived-datasets/imported-phenomenet/insert-phenomenet-annotations.rq create mode 100644 archived-datasets/imported-phenomenet/insert-phenomenet-ontology.rq create mode 100644 archived-datasets/mesh/config.yml create mode 100755 archived-datasets/mesh/download/download.sh create mode 100644 archived-datasets/mesh/mapping/README.md create mode 100644 archived-datasets/mesh/metadata/metadata-template-0-summary.rq create mode 100644 archived-datasets/mesh/metadata/metadata-template-1.rq create mode 100644 archived-datasets/monarch/config.yml create mode 100755 archived-datasets/monarch/download/download_examples.sh create mode 100755 archived-datasets/monarch/download/import-graphdb.sh create mode 100644 archived-datasets/monarch/mapping/csv_mapping.rml.ttl create mode 100644 archived-datasets/monarch/mapping/json_mapping.rml.ttl rename {support/template/dataset => archived-datasets/monarch}/mapping/sparql-csv-example.rq (100%) rename {support/template/dataset => archived-datasets/monarch}/mapping/sparql-tsv-cohd_concepts.rq (100%) rename {support/template/dataset => archived-datasets/monarch}/mapping/sparql-xml-drugbank_drug_interaction.rq (100%) rename {support/template/dataset => archived-datasets/monarch}/mapping/tsv_mapping.rml.ttl.bck (91%) create mode 100644 archived-datasets/monarch/mapping/xml_mapping.rml.ttl create mode 100644 archived-datasets/monarch/metadata/metadata-template-0-summary.rq create mode 100644 archived-datasets/monarch/metadata/metadata-template-1.rq create mode 100644 archived-datasets/omop-drugbank/config.yml create mode 100755 archived-datasets/omop-drugbank/download/download.sh create mode 100644 archived-datasets/omop-drugbank/mapping/omop-drugbank-mappings.rq create mode 100644 archived-datasets/omop-drugbank/metadata/metadata-template-0-summary.rq create mode 100644 archived-datasets/omop-drugbank/metadata/metadata-template-1.rq create mode 100644 archived-datasets/omop-drugbank/process-omop-drugbank.ipynb create mode 100644 archived-datasets/stitch/config.yml create mode 100755 archived-datasets/stitch/download/download.sh create mode 100644 archived-datasets/stitch/mapping/insert-stitch.rq create mode 100644 archived-datasets/stitch/metadata/00-insert-metadata-summary-stitch.rq create mode 100644 archived-datasets/stitch/metadata/01-insert-metadata-distribution-stitch.rq create mode 100644 archived-datasets/string/config.yml create mode 100755 archived-datasets/string/download/download.sh create mode 100644 archived-datasets/string/mapping/insert-string.rq create mode 100644 archived-datasets/string/metadata/metadata-dataset-0-summary.rq create mode 100644 archived-datasets/string/metadata/metadata-dataset-1.rq create mode 100644 archived-datasets/string/process-string.ipynb create mode 100644 archived-datasets/ugent-covid-kg/config.yml create mode 100755 archived-datasets/ugent-covid-kg/download/download.sh create mode 100644 archived-datasets/ugent-covid-kg/mapping/sparql-link-mesh.rq create mode 100644 archived-datasets/ugent-covid-kg/metadata/metadata-template-0-summary.rq create mode 100644 archived-datasets/ugent-covid-kg/metadata/metadata-template-1.rq create mode 100644 archived-datasets/uniprot/config.yml create mode 100755 archived-datasets/uniprot/download/download.sh create mode 100644 archived-datasets/uniprot/mapping/insert-uniprot-organism.rq create mode 100644 archived-datasets/uniprot/mapping/insert-uniprot.rq create mode 100644 archived-datasets/uniprot/metadata/metadata-dataset-0-summary.rq create mode 100644 archived-datasets/uniprot/metadata/metadata-dataset-1.rq create mode 100644 archived-datasets/uniprot/process-uniprot.ipynb create mode 100644 archived-datasets/wikipathways/config.yml create mode 100755 archived-datasets/wikipathways/download/download.sh create mode 100644 archived-datasets/wikipathways/mapping/insert_wikipathways_Complex.rq create mode 100644 archived-datasets/wikipathways/mapping/insert_wikipathways_GeneProduct.rq.txt create mode 100644 archived-datasets/wikipathways/mapping/insert_wikipathways_Metabolite.rq create mode 100644 archived-datasets/wikipathways/mapping/insert_wikipathways_Protein.rq.txt create mode 100644 archived-datasets/wikipathways/mapping/insert_wikipathways_Rna.rq create mode 100644 archived-datasets/wikipathways/mapping/insert_wikipathways_interaction_Catalysis.rq create mode 100644 archived-datasets/wikipathways/mapping/insert_wikipathways_interaction_Conversion.rq create mode 100644 archived-datasets/wikipathways/mapping/insert_wikipathways_interaction_Inhibition.rq create mode 100644 archived-datasets/wikipathways/mapping/insert_wikipathways_interaction_Stimulation.rq create mode 100644 archived-datasets/wikipathways/mapping/insert_wikipathways_interaction_TranscriptionTranslation.rq create mode 100644 archived-datasets/wikipathways/mapping/insert_wikipathways_pathways.rq create mode 100644 archived-datasets/wikipathways/metadata/metadata-dataset-0-summary.rq create mode 100644 archived-datasets/wikipathways/metadata/metadata-dataset-1.rq create mode 100644 archived-datasets/wikipathways/process-wikipathways.ipynb create mode 100644 archived-datasets/worldbank/config.yml create mode 100755 archived-datasets/worldbank/download/download.sh create mode 100644 archived-datasets/worldbank/mapping/gdp_mapping.rml.ttl create mode 100644 archived-datasets/worldbank/metadata/metadata-template-0-summary.rq create mode 100644 archived-datasets/worldbank/metadata/metadata-template-1.rq create mode 100755 support/template/dataset/download/preprocessing.py diff --git a/.github/workflows/sparql-map-uniprot.yml b/.github/workflows/sparql-map-uniprot.yml new file mode 100644 index 0000000..a3fa07a --- /dev/null +++ b/.github/workflows/sparql-map-uniprot.yml @@ -0,0 +1,42 @@ +name: UniProt to BioLink RDF +# TODO: Add step to manage versioning (delete previous graph, load new graph, generate metadata) +on: + workflow_dispatch: + inputs: + endpoint: + description: 'Upload to SPARQL endpoint' + required: true + default: 'https://graphdb.dumontierlab.com/repositories/ncats-red-kg/statements' + graph: + description: 'In the Graph' + required: true + default: 'https://w3id.org/d2s/graph/uniprot' + +jobs: + run-sparql: + runs-on: ubuntu-latest + steps: + - uses: actions/checkout@v2 + + - name: Run SPARQL queries to convert UniProt + uses: vemonet/sparql-operations-action@v1 + with: + file: datasets/uniprot/mapping + endpoint: ${{ github.event.inputs.endpoint }} + user: ${{ secrets.GRAPHDB_USER }} + password: ${{ secrets.GRAPHDB_PASSWORD }} + inputvar: https://sparql.uniprot.org + outputvar: ${{ github.event.inputs.graph }} + servicevar: https://sparql.uniprot.org + + - name: Compute and insert HCLS descriptive metadata + uses: vemonet/sparql-operations-action@v1 + with: + file: https://github.com/MaastrichtU-IDS/d2s-scripts-repository/tree/master/sparql/compute-hcls-stats + endpoint: ${{ github.event.inputs.endpoint }} + user: ${{ secrets.GRAPHDB_USER }} + password: ${{ secrets.GRAPHDB_PASSWORD }} + inputvar: ${{ github.event.inputs.graph }} + outputvar: https://w3id.org/d2s/metadata + servicevar: ${{ github.event.inputs.endpoint }} + # servicevar: http://localhost:7200/repositories/ncats-red-kg diff --git a/.github/workflows/sparql-map-wikipathways.yml b/.github/workflows/sparql-map-wikipathways.yml new file mode 100644 index 0000000..22876c7 --- /dev/null +++ b/.github/workflows/sparql-map-wikipathways.yml @@ -0,0 +1,42 @@ +name: WikiPathways to BioLink RDF +# TODO: Add step to manage versioning (delete previous graph, load new graph, generate metadata) +on: + workflow_dispatch: + inputs: + endpoint: + description: 'Upload to SPARQL endpoint' + required: true + default: 'https://graphdb.dumontierlab.com/repositories/ncats-red-kg/statements' + graph: + description: 'In the Graph' + required: true + default: 'https://w3id.org/d2s/graph/wikipathways' + +jobs: + run-sparql: + runs-on: ubuntu-latest + steps: + - uses: actions/checkout@v2 + + - name: Run SPARQL queries to convert Wikipathways + uses: vemonet/sparql-operations-action@v1 + with: + file: datasets/wikipathways/mapping + endpoint: ${{ github.event.inputs.endpoint }} + user: ${{ secrets.GRAPHDB_USER }} + password: ${{ secrets.GRAPHDB_PASSWORD }} + inputvar: http://rdf.wikipathways.org/ + outputvar: ${{ github.event.inputs.graph }} + servicevar: http://sparql.wikipathways.org/sparql + + - name: Compute and insert HCLS descriptive metadata + uses: vemonet/sparql-operations-action@v1 + with: + file: https://github.com/MaastrichtU-IDS/d2s-scripts-repository/tree/master/sparql/compute-hcls-stats + endpoint: ${{ github.event.inputs.endpoint }} + user: ${{ secrets.GRAPHDB_USER }} + password: ${{ secrets.GRAPHDB_PASSWORD }} + inputvar: ${{ github.event.inputs.graph }} + outputvar: https://w3id.org/d2s/metadata + servicevar: ${{ github.event.inputs.endpoint }} + # servicevar: http://localhost:7200/repositories/ncats-red-kg diff --git a/archived-datasets/date/config.yml b/archived-datasets/date/config.yml new file mode 100644 index 0000000..7bfedb5 --- /dev/null +++ b/archived-datasets/date/config.yml @@ -0,0 +1,55 @@ + +## For Tabular files workflows +dataset_to_process: "date" + +## For XML workflows +# dir_to_process: +# class: Directory +# path: ../../workspace/input/date + +sparql_final_graph_uri: "https://w3id.org/d2s/graph/date" + + +# Final SPARQL endpoint to load the BioLink RDF +# Add /statements for RDF4J server like GraphDB +sparql_final_triplestore_url: "https://graphdb.dumontierlab.com/repositories/ncats-red-kg/statements" +# sparql_final_triplestore_url: "http://graphdb:7200/repositories/ncats-red-kg/statements" + +sparql_final_triplestore_username: "import_user" +sparql_final_triplestore_password: "dba" + +# R2RML params +input_data_jdbc: "jdbc:drill:drillbit=drill:31010" + +# Temporary triplestore (e.g. Virtuoso). TODO: improve +sparql_tmp_service_url: "http://tmp-virtuoso:8890/sparql" +# sparql_tmp_service_url: "http://blazegraph:8082/bigdata/sparql" + +sparql_tmp_triplestore_url: "http://tmp-virtuoso:8890/sparql" +# sparql_tmp_triplestore_url: "http://blazegraph:8082/bigdata/sparql" +sparql_tmp_triplestore_username: "dba" +sparql_tmp_triplestore_password: "dba" + +sparql_tmp_graph_uri: "https://w3id.org/d2s/graph/date" +# sparql_tmp_graph_uri: "https://w3id.org/d2s/graph/xml2rdf" +tmp_triplestore_container_id: "d2s-tmp-virtuoso" +tmp_triplestore_load_dir: "/usr/local/virtuoso-opensource/var/lib/virtuoso/db" + +# Split params +# split_property: "https://w3id.org/biolink/vocab/has_participant" +# split_class: "https://w3id.org/biolink/vocab/GeneGrouping" +# split_delimiter: "," +# split_quote: '"' + +sparql_transform_queries_path: "mapping" +sparql_insert_metadata_path: "metadata" + +cwl_workflow_filename: "csv-virtuoso.cwl" + +config_dir: + class: Directory + path: . + +cwl_dir: + class: Directory + path: ../../d2s-core \ No newline at end of file diff --git a/archived-datasets/date/download/download.sh b/archived-datasets/date/download/download.sh new file mode 100755 index 0000000..6519216 --- /dev/null +++ b/archived-datasets/date/download/download.sh @@ -0,0 +1,15 @@ +#!/bin/bash + +wget -N http://tatonettilab.org/resources/DATE/date_resource.zip + +# Unzip +# All in same dir +unzip -o \*.zip + +# Convert TSV to CSV +sed -e 's/"/\\"/g' -e 's/\t/","/g' -e 's/^/"/' -e 's/$/"/' -e 's/\r//' date_resource/Drug_target_reactome_pathway.tsv > date.csv + +# rm date_resource/Drug_target_reactome_pathway_filtered.tsv +# Should contains 2 tsv +# date_resource/Drug_target_reactome_pathway.tsv +# date_resource/Drug_target_reactome_pathway_filtered.tsv \ No newline at end of file diff --git a/archived-datasets/date/mapping/insert-date.rq b/archived-datasets/date/mapping/insert-date.rq new file mode 100644 index 0000000..2399f41 --- /dev/null +++ b/archived-datasets/date/mapping/insert-date.rq @@ -0,0 +1,91 @@ +PREFIX d2smodel: +PREFIX rdfs: +PREFIX owl: +PREFIX dc: +PREFIX dcterms: +PREFIX bl: +PREFIX w3idvocab: +INSERT +{ + GRAPH { + ?drugUri a bl:Drug ; + bl:id ?drugId ; + bl:name ?drugName . + + ?targetUniprotUri a bl:Protein . + + ?targetSymbolUri a bl:Gene ; + bl:id ?targetSymbol ; + bl:has_gene_product ?targetUniprotUri ; + bl:systematic_synonym ?targetSymbol . + # expressed_in tissue? + + ?pathwayUri a bl:Pathway ; # tissue-specific molecular pathway + bl:name ?pathwayName ; + bl:part_of ?tissueUri . + + ?tissueUri a bl:GrossAnatomicalStructure ; # tissue + bl:name ?tissueName . + + + ?interactionUri a bl:ChemicalToGeneAssociation ; + bl:relation bl:interacts_with ; + bl:subject ?drugUri ; + bl:object ?targetUniprotUri ; + bl:part_of ?pathwayUri . + + # TODO: We also could create a bl:ChemicalToPathwayAssociation. What would be the best choice? + + # TODO: CellLine https://biolink.github.io/biolink-model/docs/CellLineToDiseaseOrPhenotypicFeatureAssociation.html + #?cellLineUri a bl:CellLine ; + #bl:id ?cellLineId . + } +} +WHERE { + SERVICE { + GRAPH { + # To filter out Drug_target_reactome_pathway_filtered.tsv file + # TODO: Be careful the file path in the type can change: + # ?s a ; + ?s d2smodel:Drug_idStitch ?drugId ; # eg: CID000004927 + d2smodel:Drug_name ?drugName . + BIND( iri(concat("https://identifiers.org/pubchem.compound/", replace(?drugId, "CID", "") ) ) AS ?drugUri ) + + ?s d2smodel:TargetUniprot ?targetUniprotId . + BIND( iri(concat("https://identifiers.org/uniprot/", ?targetUniprotId ) ) AS ?targetUniprotUri ) + + ?s d2smodel:Pathway ?pathwayName . # eg: Retrograde neurotrophin signalling + BIND( iri(concat("https://w3id.org/d2s/data/pathway/", md5(?pathwayName) ) ) AS ?pathwayUri ) + + BIND( iri(concat("https://w3id.org/d2s/data/protein/interaction/", md5(concat(?drugId, ?targetUniprotId, ?pathwayName)) ) ) AS ?interactionUri ) + BIND( iri(concat("https://w3id.org/d2s/data/pathway/association/", md5(concat(?drugId, ?targetUniprotId, ?pathwayName)) ) ) AS ?pathwayAssociationUri ) + + OPTIONAL { + ?s d2smodel:Cell_line_id ?cellLineId . # NA (majority), HT1080, SHSYSY.RA, astrocytes, GM2313... + BIND( if( ?cellLineId="NA", + iri("") , + iri(concat("https://w3id.org/d2s/data/cell_line/", ?cellLineId) ) + ) AS ?cellLineUri ) + } + OPTIONAL { + ?s d2smodel:Tissue ?tissueName . # Fetalbrain + BIND( iri(concat("https://w3id.org/d2s/data/tissue/", md5(?tissueName) ) ) AS ?tissueUri ) + } + OPTIONAL { + ?s d2smodel:Pathway_size ?pathwaySize . # 42... + } + OPTIONAL { + ?s d2smodel:TargetSymbol ?targetSymbol . # CHRM3 + FILTER(!contains(?targetSymbol, "c(")) # filter out symbol like c(\"CALM1\", \"CALM2\", \"CALM3\") + BIND( iri(concat("https://identifiers.org/hgnc.symbol/", ?targetSymbol ) ) AS ?targetSymbolUri ) + } + OPTIONAL { + ?s d2smodel:Target_class ?targetClass . # gpcr, enzyme, lgic, vgic, transporter, other_protein, catalytic_receptor, nhr, other_ic + BIND( iri(concat("https://w3id.org/d2s/data/protein/class/", md5(?targetClass) ) ) AS ?targetClassUri ) + } + OPTIONAL { + ?s d2smodel:Dataset ?dataset . # GTEx, U133A, NCI60, HPM_PRT + } + } + } +} \ No newline at end of file diff --git a/archived-datasets/date/mapping/map-date.rml.ttl b/archived-datasets/date/mapping/map-date.rml.ttl new file mode 100644 index 0000000..dd8dcd0 --- /dev/null +++ b/archived-datasets/date/mapping/map-date.rml.ttl @@ -0,0 +1,88 @@ +@prefix rr: . +@prefix rml: . +@prefix rdf: . +@prefix rdfs: . +@prefix ql: . +@prefix map: . + +map:fn_0 rml:logicalSource map:source_0; + rr:predicateObjectMap map:pomexec_0, map:pom_7. +map:map_interactions_0 rml:logicalSource map:source_0; + a rr:TriplesMap; + rdfs:label "interactions"; + rr:subjectMap map:s_0; + rr:predicateObjectMap map:pom_0, map:pom_1, map:pom_2, map:pom_3, map:pom_4, map:pom_5, map:pom_6. +map:om_0 a rr:ObjectMap; + rr:constant "https://w3id.org/biolink/vocab/PairwiseGeneToGeneInteraction"; + rr:termType rr:IRI. +map:om_1 a rr:ObjectMap; + rr:template "https://identifiers.org/pubchem.compound/{Drug_ID_Stitch}"; + rr:termType rr:IRI. +map:om_2 a rr:ObjectMap; + rr:template "https://identifiers.org/uniprot:{Target(uniprot)}"; + rr:termType rr:IRI. +map:om_3 a rr:ObjectMap; + rr:constant "https://w3id.org/biolink/vocab/interacts_with"; + rr:termType rr:IRI. +map:om_4 a rr:ObjectMap; + rr:template "https://w3id.org/d2s/dataset/date/{Dataset}"; + rr:termType rr:IRI. +map:om_5 a rr:ObjectMap; + rml:reference "Pathway"; + rr:termType rr:Literal. +map:om_6 a ; + rr:termType rr:IRI; + map:fn_0. +map:om_7 a rr:ObjectMap; + rr:template "https://w3id.org/d2s/data/date/pathway/{Pathway}"; + rr:termType rr:Literal. +map:omexec_0 rr:constant "http://example.com/idlab/function/toUpperCaseURL"; + rr:termType rr:IRI. +map:pm_0 a rr:PredicateMap; + rr:constant rdf:type. +map:pm_1 a rr:PredicateMap; + rr:constant . +map:pm_2 a rr:PredicateMap; + rr:constant . +map:pm_3 a rr:PredicateMap; + rr:constant . +map:pm_4 a rr:PredicateMap; + rr:constant . +map:pm_5 a rr:PredicateMap; + rr:constant . +map:pm_6 a rr:PredicateMap; + rr:constant . +map:pm_7 a rr:PredicateMap; + rr:constant . +map:pmexec_0 rr:constant . +map:pom_0 a rr:PredicateObjectMap; + rr:predicateMap map:pm_0; + rr:objectMap map:om_0. +map:pom_1 a rr:PredicateObjectMap; + rr:predicateMap map:pm_1; + rr:objectMap map:om_1. +map:pom_2 a rr:PredicateObjectMap; + rr:predicateMap map:pm_2; + rr:objectMap map:om_2. +map:pom_3 a rr:PredicateObjectMap; + rr:predicateMap map:pm_3; + rr:objectMap map:om_3. +map:pom_4 a rr:PredicateObjectMap; + rr:predicateMap map:pm_4; + rr:objectMap map:om_4. +map:pom_5 a rr:PredicateObjectMap; + rr:predicateMap map:pm_5; + rr:objectMap map:om_5. +map:pom_6 a rr:PredicateObjectMap; + rr:predicateMap map:pm_6; + rr:objectMap map:om_6. +map:pom_7 a rr:PredicateObjectMap; + rr:predicateMap map:pm_7; + rr:objectMap map:om_7. +map:pomexec_0 rr:predicateMap map:pmexec_0; + rr:objectMap map:omexec_0. +map:s_0 a rr:SubjectMap; + rr:template "https://w3id.org/d2s/data/date/interaction/{Drug_ID_Stitch}_{Target(uniprot)}". +map:source_0 a rml:LogicalSource; + rml:source "date.csv"; + rml:referenceFormulation ql:CSV. diff --git a/archived-datasets/date/mapping/map-date.yarrr.yml b/archived-datasets/date/mapping/map-date.yarrr.yml new file mode 100644 index 0000000..0030edf --- /dev/null +++ b/archived-datasets/date/mapping/map-date.yarrr.yml @@ -0,0 +1,52 @@ +prefixes: + grel: "http://users.ugent.be/~bjdmeest/function/grel.ttl#" + idlab: "http://example.com/idlab/function/" + xsd: "http://www.w3.org/2001/XMLSchema#" + rdfs: "http://www.w3.org/2000/01/rdf-schema#" + bl: "https://w3id.org/biolink/vocab/" + d2s: "https://w3id.org/d2s/" + pubmed: "https://identifiers.org/pubmed:" + +mappings: + interactions: + sources: + - ['date.csv~csv'] + # Dataset Drug_name Drug_ID(Stitch) Tissue Cell_line_ID Target(uniprot) Target(symbol) Target_class Pathway Pathway_size + # U133A leuprolide acetate CID000003911 Pituitary NA P30968 GNRHR gpcr Eukaryotic Translation Elongation 89 + # U133A leuprolide acetate CID000003911 Pituitary NA P30968 GNRHR gpcr Growth hormone receptor signaling 41 + + s: https://w3id.org/d2s/data/date/interaction/$(Drug_ID_Stitch)_$(Target(uniprot\)) + po: + - [a, bl:ChemicalToGeneAssociation] + - p: bl:subject + o: https://identifiers.org/pubchem.compound/$(Drug_ID_Stitch)~iri + # TODO: remove CID from the ID for proper URI + - p: bl:object + o: https://identifiers.org/uniprot:$(Target(uniprot\))~iri + - p: bl:relation + o: bl:interacts_with~iri + - p: bl:provided_by + o: d2s:dataset/date/$(Dataset)~iri + - p: bl:participates_in + o: $(Pathway) + - p: bl:part_of + o: $(Tissue) + # - p: bl:part_of + # o: + # function: idlab:toUpperCaseURL + # parameters: + # - [idlab:str, "https://w3id.org/d2s/data/date/pathway/$(Pathway)"] + # type: iri + + # Also pathway part_of tissue + # TODO: generate a URI for Pathway (do it through preprocessing?) + # We could have a python script which iterates over Pathway row to resolve the URI + + drugs: + sources: + - ['date.csv~csv'] + s: https://identifiers.org/pubchem.compound/$(Drug_ID_Stitch)~iri + po: + - [a, bl:ChemicalSubstance] + - p: bl:name + o: $(Drug_name) \ No newline at end of file diff --git a/archived-datasets/date/metadata/metadata-date-0-summary.rq b/archived-datasets/date/metadata/metadata-date-0-summary.rq new file mode 100644 index 0000000..26f8fc6 --- /dev/null +++ b/archived-datasets/date/metadata/metadata-date-0-summary.rq @@ -0,0 +1,76 @@ +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: + +INSERT { + GRAPH { + + # Agent publishing the dataset + ?publisherUri a dct:Agent ; + foaf:name ?publisherName ; + foaf:page . + + # Summary + + rdf:type dctypes:Dataset; + dct:title "DATE Drug-Gene relations" ; + idot:preferredPrefix "date" ; + dct:description "Downstream effects of targeted proteins is essential to drug design. We introduce a data-driven method named DATE, which integrates drug-target relationships with gene expression, protein-protein interaction, and pathway annotation data to connect Drugs to target pathways by the Tissue Expression. Links drugs to tissue-specific target pathways. 467,396 connections for 1,034 drugs and 954 pathways in 259 tissues/cell lines available."@en; + dct:publisher ?publisherUri ; + + dct:license ; + # Human readable licenses terms + # dct:rights """Rights."""@en ; + + # The homepage of the dataset + foaf:page ; + # schemaorg:logo ; + + dcat:accessURL ; + # Specify the directory containing the file(s) of interest (not the direct file URL) + + #dct:references ; + dcat:keyword "drug discovery" ; + dcat:theme ; + # ncit:C48807 Chemical, ncit:C54708 drug interaction + + # dct:accrualPeriodicity freq:annual ; + # frequency of update: annual baseline is released in December of each year + + void:sparqlEndpoint "https://graphdb.dumontierlab.com/repositories/trek" . + + ## MAY + # dct:references ; # Supporting material as web pages and documents (use cito for publications) + # cito:citesAsAuthority ; # publications about the dataset + # rdfs:seeAlso ; + + # dct:hasPart ; # if the dataset has multiple different parts (e.g. one for Drugs, one for Phenotypes) + # dct:alternative "Alternative label for dataset" ; + # idot:alternatePrefix "alternative_prefix"; + + + ## Needs to be updated at new submission + #pav:hasCurrentVersion ; + } +} WHERE { + BIND(NOW() AS ?now) + BIND ( "Tatonetti lab" as ?publisherName) + BIND ( iri(concat("https://w3id.org/d2s/agent/", md5(?publisherName))) AS ?publisherUri ) +} diff --git a/archived-datasets/date/metadata/metadata-date-1.rq b/archived-datasets/date/metadata/metadata-date-1.rq new file mode 100644 index 0000000..e33d018 --- /dev/null +++ b/archived-datasets/date/metadata/metadata-date-1.rq @@ -0,0 +1,163 @@ +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: + +INSERT { + GRAPH { + + # Agent publishing the RDF distribution + ?rdfPublisherUri a dct:Agent ; + foaf:name ?rdfPublisherName ; + foaf:page . + + # Version + ?versionUri + a dctypes:Dataset ; + dct:isVersionOf ?summaryUri ; + pav:version ?pavVersion ; + + dcat:distribution ; + # dcat:accessURL ; + + ## MAY + # dct:references ; # Supporting material as web pages and documents (use cito for publications) + # cito:citesAsAuthority ; # publications about the dataset + # rdfs:seeAlso ; + + dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:license ?sourceLicense ; + dct:publisher ?sourcePublisher ; + idot:preferredPrefix ?idotPreferredPrefix ; + dct:language ?dctLanguage ; + + # TODO: should we put the date of the source release? + dct:issued ?now . + + # TODO: should we have a different license than the summary? + # dct:license ; + + # Same for creator and publisher, should it be HPO for the version? + # dct:creator ; + # dct:publisher ; + + ### RDF Distribution description + + a dcat:Distribution, void:Dataset ; + # TODO: should we use the same pav:version as the source for RDF distribution? + pav:version ?pavVersion ; + # TODO: and should we use the version in RDF distribution URI? After / or # ? + # # more convenient to do strafter() and extract version number + + # TODO: What should be data2services BioLink RDF license? + dct:license ; + + # void:exampleResource ; + + # TODO: should we point createdWith to the SPARQL mappings? Or d2s-cli URL? + pav:createdWith ; + + # Which publisher for RDF BioLink Dataset? IDS by default + dct:publisher ?rdfPublisherUri ; + dct:creator ?rdfPublisherUri ; + + dct:source ?distributionSourceUri ; + dct:language ?dctLanguage ; + void:vocabulary ; + + # TODO: Use dcat:accessURL to specify a directory containing the file(s) of interest. + dcat:accessURL ; + dcat:downloadURL ; + void:dataDump ; + dcat:mediaType "application/n-quads" ; + + dct:title ?rdfDctTitle ; + dct:description ?rdfDctDistribution ; + dct:conformsTo ?hclsDataset ; + idot:preferredPrefix ?idotPreferredPrefix ; + dct:created ?now . + + # MAY + # pav:previousVersion ; + # idot:accessIdentifierPattern "^http://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL\\d+" ; + # idot:identifierPattern "CHEMBL\\d+"^^xsd:string ; + # void:uriRegexPattern "http://rdf.ebi.ac.uk/resource/chembl/target/CHEMBL\\d+" ; + # idot:accessPattern "http://identifiers.org/chembl.compound/"; + # idot:exampleIdentifier "CHEMBL_TC_4803"^^xsd:string ; + + ### Source distribution (non-RDF) description + ?distributionSourceUri + a dcat:Distribution ; + dct:format "text/tab-separated-values" ; + dcat:downloadURL ; + + # idot:exampleIdentifier "DB00001"^^xsd:string ; + + # TODO: should we put issues? + + # TODO: Same publisher as source? + dct:publisher ?sourcePublisher ; + dct:creator ?sourcePublisher ; + pav:version ?pavVersion ; + + dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:rights ?dctRights ; + dct:license ?sourceLicense ; + idot:preferredPrefix ?idotPreferredPrefix ; + pav:retrievedOn ?now ; + dct:language ?dctLanguage ; + dct:conformsTo ?hclsDataset . + + # MAY + # pav:previousVersion ; + # idot:accessPattern "http://identifiers.org/drugbank:" ; + } +} WHERE { + # Version of the source dataset + BIND("1"^^xsd:string AS ?pavVersion) + + BIND( AS ?summaryUri) + BIND( AS ?dctLanguage) + + # Version of our RDF distribution version + BIND("1"^^xsd:string AS ?rdfPavVersion) + BIND(concat("N-Quads distribution of DATE Drug-Gene relations build #", ?rdfPavVersion) AS ?rdfDctTitle) + BIND(concat("N-Quads distribution of DATE Drug-Gene relations build #", ?rdfPavVersion, " produced by Data2Services on NOW()") AS ?rdfDctDescription) + + BIND(NOW() AS ?now) + # Get generic informations from summary + OPTIONAL { + ?summaryUri dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:license ?sourceLicense ; + dct:publisher ?sourcePublisher ; + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix . + } + + # Generates URIs from pav:version + BIND(iri(concat(str(?summaryUri), "/version#", str(?pavVersion))) AS ?versionUri) + BIND(iri(concat(str(?summaryUri), "/distribution/source#", str(?pavVersion))) AS ?distributionSourceUri) + BIND( AS ?hclsDataset) + + BIND ( "Institute of Data Science at Maastricht University" as ?rdfPublisherName) + BIND ( iri(concat("https://w3id.org/d2s/agent/", md5(?rdfPublisherName))) AS ?rdfPublisherUri ) +} diff --git a/archived-datasets/date/process-date.ipynb b/archived-datasets/date/process-date.ipynb new file mode 100644 index 0000000..c032ef8 --- /dev/null +++ b/archived-datasets/date/process-date.ipynb @@ -0,0 +1,108 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# Process DATE Drug-Gene relations Data\n", + "\n", + "Jupyter Notebook to download and preprocess files to transform to BioLink RDF.\n", + "\n", + "### Download files\n", + "\n", + "The download can be defined:\n", + "* in this Jupyter Notebook using Python\n", + "* as a Bash script in the `download/download.sh` file, and executed using `d2s download date`\n", + "\n" + ] + }, + { + "cell_type": "code", + "execution_count": 9, + "metadata": {}, + "outputs": [], + "source": [ + "import os\n", + "\n", + "# Variables and path for the dataset\n", + "dataset_id = 'date'\n", + "input_folder = '/notebooks/workspace/input/' + dataset_id\n", + "mapping_folder = '/notebooks/datasets/' + dataset_id + '/mapping'\n", + "os.makedirs(input_folder, exist_ok=True)" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "# Use input folder as working folder\n", + "os.chdir(input_folder)\n", + "\n", + "files_to_download = [\n", + " 'http://tatonettilab.org/resources/DATE/date_resource.zip'\n", + "]\n", + "\n", + "# Download each file and uncompress them if needed\n", + "# Use Bash because faster and more reliable than Python\n", + "for download_url in files_to_download:\n", + " os.system('wget -N ' + download_url)\n", + " os.system('find . -name \"*.tar.gz\" -exec tar -xzvf {} \\;')\n", + " os.system('unzip -o \\*.zip')" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Process and load concepts\n", + "\n", + "We will use CWL workflows to integrate data with SPARQL queries. The structured data is first converted to a generic RDF based on the data structure, then mapped to BioLink using SPARQL. The SPARQL queries are defined in `.rq` files and can be [accessed on GitHub](https://github.com/MaastrichtU-IDS/d2s-project-template/tree/master/datasets/date/mapping).\n", + "\n", + "Start the required services (here on our server, defined by the `-d trek` arg):\n", + "\n", + "```bash\n", + "d2s start tmp-virtuoso drill -d trek\n", + "```\n", + "\n", + "Run the following d2s command in the d2s-project folder:\n", + "\n", + "```bash\n", + "d2s run csv-virtuoso.cwl date\n", + "```\n", + "\n", + "[HCLS metadata](https://www.w3.org/TR/hcls-dataset/) can be computed for the date graph:\n", + "\n", + "```bash\n", + "d2s run compute-hcls-metadata.cwl date\n", + "```\n", + "\n", + "## Load the BioLink model\n", + "\n", + "Load the [BioLink model ontology as Turtle](https://github.com/biolink/biolink-model/blob/master/biolink-model.ttl) in the graph `https://w3id.org/biolink/biolink-model` in the triplestore\n" + ] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 3", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.8.2" + } + }, + "nbformat": 4, + "nbformat_minor": 4 +} \ No newline at end of file diff --git a/archived-datasets/drugcentral/config.yml b/archived-datasets/drugcentral/config.yml new file mode 100644 index 0000000..df17569 --- /dev/null +++ b/archived-datasets/drugcentral/config.yml @@ -0,0 +1,57 @@ + +dataset_to_process: "drugcentral" + +## For XML workflows +# dir_to_process: +# class: Directory +# path: ../../workspace/input/drugcentral + +sparql_final_graph_uri: "https://w3id.org/trek/graph/drugcentral" + + +# Final SPARQL endpoint to load the BioLink RDF +# Add /statements for RDF4J server like GraphDB +sparql_final_triplestore_url: "https://graphdb.dumontierlab.com/repositories/trek/statements" +# sparql_final_triplestore_url: "http://graphdb:7200/repositories/demo/statements" + +sparql_final_triplestore_username: "dba" +sparql_final_triplestore_password: "dba" + +# R2RML params +input_data_jdbc: "jdbc:drill:drillbit=drill:31010" + +# Temporary triplestore (e.g. Virtuoso). TODO: improve +sparql_tmp_service_url: "http://tmp-virtuoso:8890/sparql" +# sparql_tmp_service_url: "http://blazegraph:8082/bigdata/sparql" + +sparql_tmp_triplestore_url: "http://tmp-virtuoso:8890/sparql" +# sparql_tmp_triplestore_url: "http://blazegraph:8082/bigdata/sparql" +sparql_tmp_triplestore_username: "dba" +sparql_tmp_triplestore_password: "dba" + +sparql_tmp_graph_uri: "https://w3id.org/d2s/graph/drugcentral" +# sparql_tmp_graph_uri: "https://w3id.org/d2s/graph/xml2rdf" +# sparql_tmp_graph_uri: "https://w3id.org/d2s/graph/autor2rml" + +tmp_triplestore_container_id: "d2s-tmp-virtuoso" +tmp_triplestore_load_dir: "/usr/local/virtuoso-opensource/var/lib/virtuoso/db" + +# Split params +# split_property: "https://w3id.org/biolink/vocab/has_participant" +# split_class: "https://w3id.org/biolink/vocab/GeneGrouping" +# split_delimiter: "," +# split_quote: '"' + +sparql_transform_queries_path: "mapping" +sparql_insert_metadata_path: "metadata" + +cwl_workflow_filename: "csv-virtuoso.cwl" +# cwl_workflow_filename: "xml-virtuoso.cwl" + +config_dir: + class: Directory + path: . + +cwl_dir: + class: Directory + path: ../../d2s-core \ No newline at end of file diff --git a/archived-datasets/drugcentral/download/download.sh b/archived-datasets/drugcentral/download/download.sh new file mode 100755 index 0000000..fe8314d --- /dev/null +++ b/archived-datasets/drugcentral/download/download.sh @@ -0,0 +1,17 @@ +#!/bin/bash + +## Download small TSV 800K, no drug ID, only drug name, uniprot id, gene id, source URL (e.g. chembl) +wget -N http://unmtid-shinyapps.net/download/drug.target.interaction.tsv.gz + +# Full SQL dump 947M +# wget -n http://unmtid-shinyapps.net/download/drugcentral.dump.08262018.sql.gz + + +# UNTAR recursively all .tar.gz files in current dir +find . -name "*.tar.gz" -exec tar -xzvf {} \; + +# Convert TSV to CSV for RMLStreamer +sed -e 's/"/\\"/g' -e 's/\t/","/g' -e 's/^/"/' -e 's/$/"/' -e 's/\r//' drug.target.interaction.tsv > drug.target.interaction.csv + +# Make sure right permissions are set properly +chmod 777 * \ No newline at end of file diff --git a/archived-datasets/drugcentral/download/drug.target.interaction.tsv b/archived-datasets/drugcentral/download/drug.target.interaction.tsv new file mode 100644 index 0000000..171c5ad --- /dev/null +++ b/archived-datasets/drugcentral/download/drug.target.interaction.tsv @@ -0,0 +1,17391 @@ +"DRUG_NAME" "STRUCT_ID" "TARGET_NAME" "TARGET_CLASS" "ACCESSION" "GENE" "SWISSPROT" "ACT_VALUE" "ACT_UNIT" "ACT_TYPE" "ACT_COMMENT" "ACT_SOURCE" "RELATION" "MOA" "MOA_SOURCE" "ACT_SOURCE_URL" "MOA_SOURCE_URL" "ACTION_TYPE" "TDL" "ORGANISM" +"levobupivacaine" 4 "Sodium channel protein type 4 subunit alpha" "Ion channel" "P35499" "SCN4A" "SCN4A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200749" "BLOCKER" "Tclin" "Homo sapiens" +"levobupivacaine" 4 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.706858517 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"levobupivacaine" 4 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.89 "IC50" "Inhibition of wild-type human ERG channel expressed in HEK293 cells assessed as blockade of potassium tail current by whole-cell patch clamp technique" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200749" "Tclin" "Homo sapiens" +"levobupivacaine" 4 "Potassium voltage-gated channel subfamily D member 3" "Ion channel" "Q9UK17" "KCND3" "KCND3_HUMAN" 4.5 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"levobupivacaine" 4 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P34995" "PTGER1" "PE2R1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"levobupivacaine" 4 "Sodium channel protein type 1 subunit alpha" "Ion channel" "P35498" "SCN1A" "SCN1A_HUMAN" 5.79 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"levobupivacaine" 4 "Potassium voltage-gated channel subfamily A member 5" "Ion channel" "P22460" "KCNA5" "KCNA5_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"levobupivacaine" 4 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"(S)-nicardipine" 5 "Voltage-gated L-type calcium channel" "Ion channel" "Q01668|Q13936" "CACNA1C|CACNA1D" "CAC1C_HUMAN|CAC1D_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2009/022276s003lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2009/022276s003lbl.pdf" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"(S)-nitrendipine" 6 "Intermediate conductance calcium-activated potassium channel protein 4" "Ion channel" "O15554" "KCNN4" "KCNN4_HUMAN" 7.6 "IC50" "IUPHAR" "=" "BLOCKER" "Tchem" "Homo sapiens" +"(S)-nitrendipine" 6 "Voltage-dependent L-type calcium channel subunit alpha-1F" "Ion channel" "O60840" "CACNA1F" "CAC1F_HUMAN" 6 "IC50" "IUPHAR" "~" "GATING INHIBITOR" "Tclin" "Homo sapiens" +"(S)-nitrendipine" 6 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "P22002" "Cacna1c" "CAC1C_RAT" 6 "IC50" "IUPHAR" "=" "GATING INHIBITOR" "Rattus norvegicus" +"(S)-nitrendipine" 6 "Voltage-dependent L-type calcium channel subunit alpha-1S" "Ion channel" "Q02485" "Cacna1s" "CAC1S_RAT" 6 "IC50" "IUPHAR" "=" "GATING INHIBITOR" "Rattus norvegicus" +"(S)-nitrendipine" 6 "Voltage-dependent L-type calcium channel subunit alpha-1D" "Ion channel" "Q01668" "CACNA1D" "CAC1D_HUMAN" 8.4 "IC50" "Recombinant Cav1.3 calcium channel complexes expressed in tsA-cells" "IUPHAR" "=" 1 "IUPHAR" "GATING INHIBITOR" "Tclin" "Homo sapiens" +"(S)-nitrendipine" 6 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/17276408" "BLOCKER" "Tclin" "Homo sapiens" +"levdobutamine" 13 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1367478" "AGONIST" "Tclin" "Homo sapiens" +"aminopterin" 21 "Dihydrofolate reductase" "Enzyme" "P00381" "folA" "DYR_LACCA" 8.3 "IC50" "Inhibition of dihydrofolate reductase in Lactobacillus casei" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL376180" "Lactobacillus casei" +"aminopterin" 21 "Dihydrofolate reductase" "Enzyme" "P00374" "DHFR" "DYR_HUMAN" 9.68 "Ki" "Inhibitory activity against Leu22-Phe mutant human Dihydrofolate reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL376180" "Tclin" "Homo sapiens" +"aminopterin" 21 "Dihydrofolate reductase" "Unclassified" "B0BL08" "dfrA17" "B0BL08_ECOLX" 7.96 "IC50" "Inhibition of dihydrofolate reductase in Escherichia coli" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL376180" "Escherichia coli" +"aminopterin" 21 "Dihydrofolate reductase" "Enzyme" "P00375" "Dhfr" "DYR_MOUSE" 8.7 "IC50" "Inhibitory activity against dihydrofolate reductase(DHFR) isolated from L1210 murine leukemia cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL376180" "Mus musculus" +"aminopterin" 21 "Folylpoly-gamma-glutamate synthetase" "Unclassified" "P48760" "Fpgs" "FOLC_MOUSE" 4.75 "Ki" "Compound was tested for its ability to inhibit Folyl-polyglutamate synthase from mouse liver" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL376180" "Mus musculus" +"phenylbutanoic acid" 24 "glutamine" "Amino acid" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2009/020572s016,020573s015lbl.pdf" "OTHER" +"phenylbutanoic acid" 24 "Histone deacetylase 8" "Enzyme" "Q9BY41" "HDAC8" "HDAC8_HUMAN" 4.03 "IC50" "Inhibition of human recombinant HDAC8" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1044" "Tclin" "Homo sapiens" +"phenylbutanoic acid" 24 "Histone deacetylase 1" "Enzyme" "Q13547" "HDAC1" "HDAC1_HUMAN" 4.19 "IC50" "Inhibition of human recombinant HDAC1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1044" "Tclin" "Homo sapiens" +"phenylbutanoic acid" 24 "Histone deacetylase 2" "Enzyme" "Q92769" "HDAC2" "HDAC2_HUMAN" 4.19 "IC50" "Inhibition of human recombinant HDAC2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1044" "Tclin" "Homo sapiens" +"phenylbutanoic acid" 24 "Aldose reductase" "Enzyme" "P15121" "AKR1B1" "ALDR_HUMAN" 4.01999998092651 "IC50" "Inhibition of aldose reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1044" "Tclin" "Homo sapiens" +"azacitidine" 25 "DNA (cytosine-5)-methyltransferase 1" "Enzyme" "P26358" "DNMT1" "DNMT1_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00928" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1489" "INHIBITOR" "Tclin" "Homo sapiens" +"azacitidine" 25 "DNA (cytosine-5)-methyltransferase 3A" "Enzyme" "Q9Y6K1" "DNMT3A" "DNM3A_HUMAN" "Mechanism of Action; CHEMBL1992; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1489" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1489" "INHIBITOR" "Tclin" "Homo sapiens" +"fluorouracil" 26 "Thymidylate synthase" "Enzyme" "P04818" "TYMS" "TYSY_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL185" "INHIBITOR" "Tclin" "Homo sapiens" +"fluorouracil" 26 "Thymidylate synthase" "Enzyme" "P07607" "Tyms" "TYSY_MOUSE" 7.7 "IC50" "Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxyuridine after preincubation for 24 hrs by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL185" "Mus musculus" +"fluorouracil" 26 "Uracil phosphoribosyltransferase" "Unclassified" "P0A8F0" "upp" "UPP_ECOLI" 4.89 "Ki" "Inhibition of Escherichia coli K-12 MTCC 1302 UPRT activity by spectrophotometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL185" "Escherichia coli (strain K12)" +"fluorouracil" 26 "ATP-binding cassette sub-family C member 11" "Transporter" "Q96J66" "ABCC11" "ABCCB_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"fluorouracil" 26 "Multidrug resistance-associated protein 5" "Transporter" "O15440" "ABCC5" "MRP5_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"methoxsalen" 30 "DNA" "DNA" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2003/09048slr037_methoxsalen_lbl.pdf" "CROSS-LINKING AGENT" +"methoxsalen" 30 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 7.397940009 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"methoxsalen" 30 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 4.07 "IC50" "Inhibition of MAO-A activity" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL416" "Tclin" "Homo sapiens" +"methoxsalen" 30 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 6.12 "IC50" "Inhibition of acetylcholinesterase (unknown origin) using acetylcholine iodide as substrate preincubated for 15 mins prior to substrate addition by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL416" "Tclin" "Homo sapiens" +"abacavir" 34 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" 5.28 "EC50" "In vitro antiviral activity against HIV-1 Reverse transcriptase wild type" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1380" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1380" "INHIBITOR" "Human immunodeficiency virus 1" +"abacavir" 34 "Gag-Pol polyprotein" "Polyprotein" "P03369" "gag-pol" "POL_HV1A2" 5.2757 "EC50" "WOMBAT-PK" "=" "Human immunodeficiency virus type 1 group M subtype B (isolate ARV2/SF2)" +"abarelix" 35 "Gonadotropin-releasing hormone receptor" "GPCR" "P30968" "GNRHR" "GNRHR_HUMAN" 9.49 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1188" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1252" "ANTAGONIST" "Tclin" "Homo sapiens" +"acamprosate" 38 "Glutamate [NMDA] receptor" "Ion channel" "O15399|O60391|Q05586|Q12879|Q13224|Q14957|Q8TCU5" "GRIN1|GRIN2A|GRIN2B|GRIN2C|GRIN2D|GRIN3A|GRIN3B" "NMD3A_HUMAN|NMD3B_HUMAN|NMDE1_HUMAN|NMDE2_HUMAN|NMDE3_HUMAN|NMDE4_HUMAN|NMDZ1_HUMAN" "Mechanism of Action; CHEMBL2094124; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201293" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201293" "ANTAGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"acamprosate" 38 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRB3|GABRG2" "GBRA1_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201293" "POSITIVE MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"acarbose" 39 "Maltase-glucoamylase, intestinal" "Enzyme" "O43451" "MGAM" "MGA_HUMAN" 5.6968 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1566" "INHIBITOR" "Tclin" "Homo sapiens" +"acarbose" 39 "Sucrase-isomaltase, intestinal" "Enzyme" "P14410" "SI" "SUIS_HUMAN" 6.60906505584717 "Ki" "C-terminal catalytic subunit" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/21669536" "Tchem" "Homo sapiens" +"acarbose" 39 "Lysosomal alpha-glucosidase" "Enzyme" "P10253" "GAA" "LYAG_HUMAN" 5.3 "IC50" "Inhibition of maltase in human Caco-2 cell model system after 2 hrs" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1566" "Tclin" "Homo sapiens" +"acarbose" 39 "Oligo-1,6-glucosidase" "Unclassified" "P53051" "IMA1" "MALX3_YEAST" 4.42 "IC50" "Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins measured after 30 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1566" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"acarbose" 39 "Lysosomal alpha-glucosidase" "Enzyme" "Q6P7A9" "Gaa" "LYAG_RAT" 5.46 "Ki" "Competitive inhibition of rat alpha-glucosidase assessed as production of chromogenic p-Nitrphenol measured after 3 mins by HPLC and Michaelis-Menten equation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1566" "Rattus norvegicus" +"acarbose" 39 "Alpha-amylase" "Enzyme" "P94451" "P94451_GEOSE" 6.47 "Ki" "Competitive inhibition of Bacillus stearothermophilus alpha-glucosidase assessed as production of chromogenic p-Nitrphenol measured after 3 mins by HPLC and Michaelis-Menten equation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1566" "Geobacillus stearothermophilus" +"acarbose" 39 "Sucrase-isomaltase, intestinal" "Enzyme" "P23739" "Si" "SUIS_RAT" 6.4 "IC50" "Inhibition of rat intestinal sucrase using sucrose as substrate assessed as D-glucose release from substrate preincubated for 15 mins measured after 60 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1566" "Rattus norvegicus" +"acarbose" 39 "Alpha-amylase 1" "Enzyme" "P04745" "AMY1A" "AMY1_HUMAN" 6 "IC50" "Inhibition of human salivary alpha-amylase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1566" "Tchem" "Homo sapiens" +"acarbose" 39 "Pancreatic alpha-amylase" "Unclassified" "P00690" "AMY2" "AMYP_PIG" 4.45 "IC50" "Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1566" "Sus scrofa" +"acarbose" 39 "Pancreatic alpha-amylase" "Enzyme" "P04746" "AMY2A" "AMYP_HUMAN" "Mechanism of Action; CHEMBL2045; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1566" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1566" "INHIBITOR" "Tclin" "Homo sapiens" +"acebutolol" 40 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 7.3 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL642" "ANTAGONIST" "Tclin" "Homo sapiens" +"acebutolol" 40 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.4 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"acebutolol" 40 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL642" "Rattus norvegicus" +"aceclofenac" 43 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/11556519" "INHIBITOR" "Tclin" "Homo sapiens" +"aceclofenac" 43 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 5.890084137 "IC50" "DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde)" "DRUG MATRIX" "=" "Rattus norvegicus" +"aceclofenac" 43 "Mitogen-activated protein kinase 1" "Kinase" "P28482" "MAPK1" "MK01_HUMAN" 5.227165073 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"aceclofenac" 43 "Transthyretin" "Secreted" "P02766" "TTR" "TTHY_HUMAN" 5.92 "Kd" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL93645" "Tclin" "Homo sapiens" +"acediasulfone" 44 "Dihydropteroate synthetase, putative" "Unclassified" "Q4Z710" "Q4Z710_PLABA" 4.75 "IC50" "Inhibitory activity against dihydropteroic acid synthase (SYN) from Plasmodium berghei" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL48396" "Plasmodium berghei (strain Anka)" +"acediasulfone" 44 "Aldose reductase" "Enzyme" "P16116" "AKR1B1" "ALDR_BOVIN" 4.7 "IC50" "Inhibition of Aldose reductase (AR)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL48396" "Bos taurus" +"acemetacin" 47 "Lactoylglutathione lyase" "Enzyme" "Q04760" "GLO1" "LGUL_HUMAN" 4.89 "Ki" "Inhibition of glyoxalase 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL189171" "Tchem" "Homo sapiens" +"acemetacin" 47 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" "Mechanism of Action" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01582" "http://www.kegg.jp/entry/D01582" "INHIBITOR" "Tclin" "Homo sapiens" +"acemetacin" 47 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" "Mechanism of Action" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01582" "http://www.kegg.jp/entry/D01582" "INHIBITOR" "Tclin" "Homo sapiens" +"acenocoumarol" 48 "Vitamin K epoxide reductase complex subunit 1" "Enzyme" "Q9BQB6" "VKORC1" "VKOR1_HUMAN" 6.11350917816162 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/17275317" "http://www.ncbi.nlm.nih.gov/pubmed/3207986" "INHIBITOR" "Tclin" "Homo sapiens" +"acefylline" 49 "Adenosine receptor A2b" "GPCR" "P29275" "ADORA2B" "AA2BR_HUMAN" 4.56 "Ki" "Binding affinity at human Adenosine A2B receptor expressed in HEK293 cells, using [125I]ABOPX as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL70246" "Tclin" "Homo sapiens" +"aceprometazine" 50 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.has-sante.fr/portail/upload/docs/application/pdf/2012-09/mepronizine_ct_8952.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"paracetamol" 52 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 4.94 "Ki" "Inhibition of human carbonic anhydrase 4 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL112" "Tclin" "Homo sapiens" +"paracetamol" 52 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5 "Ki" "Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL112" "Tclin" "Homo sapiens" +"paracetamol" 52 "Arachidonate 5-lipoxygenase-activating protein" "Cytosolic other" "P20292" "ALOX5AP" "AL5AP_HUMAN" 4.36 "IC50" "Inhibition of FLAP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL112" "Tchem" "Homo sapiens" +"paracetamol" 52 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 5.15 "Ki" "Inhibition of human carbonic anhydrase 3 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL112" "Tclin" "Homo sapiens" +"paracetamol" 52 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.21 "Ki" "Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL112" "Tclin" "Homo sapiens" +"paracetamol" 52 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 4.97 "Ki" "Inhibition of human carbonic anhydrase 14 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL112" "Tclin" "Homo sapiens" +"paracetamol" 52 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 5.04 "Ki" "Inhibition of human carbonic anhydrase 7 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL112" "Tclin" "Homo sapiens" +"paracetamol" 52 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 4.52 "Ki" "Inhibition of mouse carbonic anhydrase 13 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL112" "Mus musculus" +"paracetamol" 52 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 4.15 "Ki" "Inhibition of human carbonic anhydrase 9 catalytic domain by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL112" "Tclin" "Homo sapiens" +"paracetamol" 52 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.39 "Ki" "Inhibition of human carbonic anhydrase 12 catalytic domain by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL112" "Tclin" "Homo sapiens" +"paracetamol" 52 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 5.03 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL112" "Mus musculus" +"paracetamol" 52 "Myoglobin" "Unclassified" "P02144" "MB" "MYG_HUMAN" 5.64 "IC50" "Inhibition of myoglobin (unknown origin)-mediated arachidonic acid oxidation using [14C]AA as substrate after 3 hrs by GC/NICI/MS analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL112" "Tbio" "Homo sapiens" +"paracetamol" 52 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 4.546987609 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" +"paracetamol" 52 "Cannabinoid receptor 1" "GPCR" "P21554" "CNR1" "CNR1_HUMAN" "WOMBAT-PK" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/23940628" "AGONIST" "Tclin" "Homo sapiens" +"paracetamol" 52 "Transient receptor potential cation channel subfamily V member 1" "Ion channel" "Q8NER1" "TRPV1" "TRPV1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL112" "OPENER" "Tclin" "Homo sapiens" +"paracetamol" 52 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 4.31 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL112" "INHIBITOR" "Tclin" "Homo sapiens" +"paracetamol" 52 "Nuclear receptor subfamily 1 group I member 3" "Nuclear hormone receptor" "Q14994" "NR1I3" "NR1I3_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"acetazolamide" 56 "Carbonic anhydrase 1; GH09688p" "Enzyme" "Q9V396" "CAH1" "Q9V396_DROME" 6.97 "Ki" "Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-1 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Drosophila melanogaster" +"acetazolamide" 56 "Carbonic anhydrase 2, isoform A; LD26647p" "Enzyme" "Q9VTU8" "CAH2" "Q9VTU8_DROME" 7.11 "Ki" "Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-2 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Drosophila melanogaster" +"acetazolamide" 56 "Carbonic anhydrase" "Unclassified" "C0IX24" "CA2" "C0IX24_9CNID" 7.13 "Ki" "Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Stylophora pistillata" +"acetazolamide" 56 "Delta carbonic anhydrase" "Unclassified" "Q5U9J1" "ca1" "Q5U9J1_THAWE" 7.08 "Ki" "Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Thalassiosira weissflogii" +"acetazolamide" 56 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 7.22 "Ki" "Inhibition of recombinant human mitochondrial isozyme CA VA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Tclin" "Homo sapiens" +"acetazolamide" 56 "Carbonic anhydrase" "Enzyme" "O43570|P00915|P00918|P07451|P22748|P23280|P35218|P43166|Q16790|Q8N1Q1|Q9ULX7|Q9Y2D0" "CA1|CA12|CA13|CA14|CA2|CA3|CA4|CA5A|CA5B|CA6|CA7|CA9" "CAH12_HUMAN|CAH13_HUMAN|CAH14_HUMAN|CAH1_HUMAN|CAH2_HUMAN|CAH3_HUMAN|CAH4_HUMAN|CAH5A_HUMAN|CAH5B_HUMAN|CAH6_HUMAN|CAH7_HUMAN|CAH9_HUMAN" 9.1 "Ki" "Compound was evaluated for the inhibition of Carbonic anhydrase (Non competitive)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"acetazolamide" 56 "Carbonic anhydrase 2" "Unclassified" "Q3I4V7" "CAN2" "Q3I4V7_CRYNV" 8 "Ki" "Inhibition of Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Cryptococcus neoformans var. grubii" +"acetazolamide" 56 "Carbonic anhydrase" "Enzyme" "P53615" "NCE103" "CAN_YEAST" 7.09 "Ki" "Inhibition of Saccharomyces cerevisiae beta-carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"acetazolamide" 56 "Carbonic anhydrase" "Unclassified" "Q2PCB5" "ca" "Q2PCB5_DICLA" 5.24 "Ki" "Inhibition of Dicentrarchus labrax CA using 4-nitrophenylacetate substrate by esterase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Dicentrarchus labrax" +"acetazolamide" 56 "Carbonic anhydrase 2" "Enzyme" "P00921" "CA2" "CAH2_BOVIN" 6.02 "IC50" "Inhibition of bovine erythrocyte carbonic anhydrase 2 using p-nitrophenyl acetate as substrate preincubated for 10 mins before substrate addition measured after 30 mins by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Bos taurus" +"acetazolamide" 56 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 8.48 "Ki" "Inhibitory constant value for Carbonic anhydrase II in human determined in pH-shift assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "INHIBITOR" "Tclin" "Homo sapiens" +"acetazolamide" 56 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 7.39 "Ki" "Inhibitory constant against human carbonic anhydrase XIV in CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Tclin" "Homo sapiens" +"acetazolamide" 56 "Carbonic anhydrase" "Enzyme" "Q50565" "Q50565_METTH" 4.92 "Ki" "Inhibitory activity against beta carbonic anhydrase (Cab) from Methanobacterium thermoautotrophicum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Methanothermobacter thermautotrophicus (strain ATCC 29096 / DSM 1053 / JCM 10044 / NBRC 100330 / Delta H)" +"acetazolamide" 56 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 8.6 "Ki" "Ki value against human carbonic anhydrase VII" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Tclin" "Homo sapiens" +"acetazolamide" 56 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 7.77 "Ki" "Inhibitory activity against murine carbonic anhydrase XIII (mCA XIII) by using CO2 hydrase assay method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Mus musculus" +"acetazolamide" 56 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 8.6 "Ki" "Inhibition of human recombinant carbonic anhydrase 12 catalytic domain preincubated for 15 mins by CO2 hydration method" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "INHIBITOR" "Tclin" "Homo sapiens" +"acetazolamide" 56 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 8.05 "Ki" "Inhibition of human recombinant carbonic anhydrase 9 catalytic domain expressed in Escherichia coli by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Tclin" "Homo sapiens" +"acetazolamide" 56 "Carbonic anhydrase" "Enzyme" "O24855" "cynT" "CYNT_HELPY" 7.7 "Ki" "Inhibition of Helicobacter pylori recombinant CA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Helicobacter pylori (strain ATCC 700392 / 26695)" +"acetazolamide" 56 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 7.14 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Mus musculus" +"acetazolamide" 56 "Alpha carbonic anhydrase" "Unclassified" "B5SU02" "CA" "B5SU02_9CNID" 7.8 "Ki" "Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Stylophora pistillata" +"acetazolamide" 56 "Carbonic anhydrase V" "Enzyme" "P35218|Q9Y2D0" "CA5A|CA5B" "CAH5A_HUMAN|CAH5B_HUMAN" 8.74 "Ki" "Mean inhibitory constant towards human carbonic anhydrase V determined by spectrophotometric dansylamide binding assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Tclin|Tclin" "Homo sapiens" +"acetazolamide" 56 "Carbonic anhydrase 7" "Enzyme" "Q9ERQ8" "Ca7" "CAH7_MOUSE" 7.8 "Ki" "Ki value against mouse carbonic anhydrase VII" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Mus musculus" +"acetazolamide" 56 "Probable transmembrane carbonic anhydrase (Carbonate dehydratase) (Carbonic dehydratase); Transmembrane carbonic anhydrase" "Enzyme" "P96878" "P96878_MYCTU" 7.92 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3273 by by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"acetazolamide" 56 "Carbonic anhydrase" "Enzyme" "P00921|P18915|Q3SZX4|Q95323" "CA2|CA3|CA4|CA6" "CAH2_BOVIN|CAH3_BOVIN|CAH4_BOVIN|CAH6_BOVIN" 7.8 "IC50" "In vitro concentration that causes 50% inhibition of carbonic anhydrase carbonate hydro-lyase (EC.4.2.1.1) isolated from bovine erythrocyte" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Bos taurus" +"acetazolamide" 56 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 7.96 "Ki" "Inhibition of human secreted carbonic anhydrase 4 measured by CO2 hydration reaction assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "INHIBITOR" "Tclin" "Homo sapiens" +"acetazolamide" 56 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 7.92 "Ki" "Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "INHIBITOR" "Tclin" "Homo sapiens" +"acetazolamide" 56 "Endochitinase" "Enzyme" "P29029" "CTS1" "CHIT_YEAST" 4.68 "Ki" "Inhibition of Saccharomyces cerevisiae CTS1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"acetazolamide" 56 "Carbonic anhydrase 3" "Enzyme" "Q3SZX4" "CA3" "CAH3_BOVIN" 4.08 "Ki" "Inhibition of bovine carbonic anhydrase 3 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Bos taurus" +"acetazolamide" 56 "Astrosclerin-3" "Unclassified" "A6YCJ1" "A6YCJ1_9METZ" 7.29 "Ki" "Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Astrosclera willeyana" +"acetazolamide" 56 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 7.27 "Ki" "Inhibitory activity against human recombinant mitochondrial isozyme CA VB" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Tclin" "Homo sapiens" +"acetazolamide" 56 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 8.51 "Ki" "Inhibition of human carbonic anhydrase 3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Tclin" "Homo sapiens" +"acetazolamide" 56 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 7.4 "Ki" "Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"acetazolamide" 56 "Carbonic anhydrase" "Enzyme" "P40881" "CAH_METTE" 7.22 "Ki" "Inhibitory activity against alpha carbonic anhydrase (Zn-Cam) from Methanosarcina thermophila" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Methanosarcina thermophila" +"acetazolamide" 56 "Beta-carbonic anhydrase 1" "Enzyme" "P9WPJ7" "mtcA1" "MTCA1_MYCTU" 6.6 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv1284 by by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"acetazolamide" 56 "Carbonic anhydrase 2" "Enzyme" "P9WPJ9" "mtcA2" "MTCA2_MYCTU" 8.05 "Ki" "Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"acetazolamide" 56 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 8.24 "Ki" "Inhibition of human recombinant carbonic anhydrase 13 preincubated for 15 mins by CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Tclin" "Homo sapiens" +"acetazolamide" 56 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 7.96 "Ki" "Inhibition of full length human recombinant CA VI" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Tclin" "Homo sapiens" +"acetazolamide" 56 "Carbonic anhydrase" "Enzyme" "Q6FTL6" "Q6FTL6_CANGA" 7.96 "Ki" "Inhibition of Candida glabrata carbonic anhydrase by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Candida glabrata (strain ATCC 2001 / CBS 138 / JCM 3761 / NBRC 0622 / NRRL Y-65)" +"acetazolamide" 56 "Carbonic anhydrase 4" "Enzyme" "Q95323" "CA4" "CAH4_BOVIN" 7.15 "Ki" "Compound was evaluated for inhibition against bovine carbonic anhydrase IV" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Bos taurus" +"acetazolamide" 56 "Carbonic anhydrase" "Enzyme" "P46510" "CAHX_FLABI" 7.57 "Ki" "Inhibition of Flaveria bidentis recombinant CA by CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Flaveria bidentis" +"acetazolamide" 56 "Aquaporin-1" "Transporter" "P29972" "AQP1" "AQP1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"acetazolamide" 56 "Carbonic anhydrase" "Unclassified" "Q5TU56" "Q5TU56_ANOGA" 7.56 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Anopheles gambiae" +"acetazolamide" 56 "Carbonic anhydrase" "Unclassified" "Q9HVB9" "Q9HVB9_PSEAE" 7.12 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)" +"acetohexamide" 57 "Sulfonylurea receptor 1, Kir6.2" "Ion channel" "Q09428|Q14654" "ABCC8|KCNJ11" "ABCC8_HUMAN|KCJ11_HUMAN" 4.63940668106079 "Ki" "displacement of [3H]glyburide binding in HEK-293 cells expressing hSUR1-hKir6.2" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/10742287" "http://www.ncbi.nlm.nih.gov/pubmed/10742287" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"acetohydroxamic acid" 58 "Urease" "Enzyme" "P07374" "UREA_CANEN" 4.76 "IC50" "Inhibition of jack bean urease" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL734" "Canavalia ensiformis" +"acetohydroxamic acid" 58 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 4.33 "IC50" "Inhibitory activity against carbonic anhydrase II" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL734" "Tclin" "Homo sapiens" +"acetohydroxamic acid" 58 "Bacterial urease" "Enzyme" "Q03282|Q03283|Q03284" "ureA|ureB|ureC" "URE1_ECOLX|URE2_ECOLX|URE3_ECOLX" "Mechanism of Action; CHEMBL2364683; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL734" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL734" "INHIBITOR" "Escherichia coli" +"acetophenazine" 59 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB01063" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1085" "ANTAGONIST" "Tclin" "Homo sapiens" +"acetophenazine" 59 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 6.1 "Ki" "Displacement of [3H]mibolerone from rat androgen receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1085" "Rattus norvegicus" +"racecadotril" 60 "Neprilysin" "Enzyme" "P08473" "MME" "NEP_HUMAN" 9 "IC50" "Inhibition of human NEP-mediated amyloid beta hydrolysis" "CHEMBL" "=" 1 "KEGG DRUG" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL10247" "http://www.kegg.jp/entry/D08464" "INHIBITOR" "Tclin" "Homo sapiens" +"racecadotril" 60 "Thermolysin" "Unclassified" "P00800" "npr" "THER_BACTH" 5.02 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL10247" "Bacillus thermoproteolyticus" +"racecadotril" 60 "Neprilysin" "Unclassified" "P08049" "MME" "NEP_RABIT" 8.4 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL10247" "Oryctolagus cuniculus" +"racecadotril" 60 "Neprilysin" "Enzyme" "P07861" "Mme" "NEP_RAT" 8.32 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL10247" "Rattus norvegicus" +"racecadotril" 60 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 6.5 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL10247" "Tclin" "Homo sapiens" +"racecadotril" 60 "Angiotensin-converting enzyme" "Enzyme" "P12822" "ACE" "ACE_RABIT" 6.38 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL10247" "Oryctolagus cuniculus" +"racecadotril" 60 "Neprilysin" "Unclassified" "P19621" "MME" "NEP_PIG" 8.21 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL10247" "Sus scrofa" +"racecadotril" 60 "Endothelin-converting enzyme 1" "Unclassified" "P42892" "ECE1" "ECE1_HUMAN" 8.1 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL10247" "Homo sapiens" +"acetoxolone" 62 "Estradiol 17-beta-dehydrogenase 1" "Enzyme" "P14061" "HSD17B1" "DHB1_HUMAN" 4.73 "IC50" "Inhibition of human recombinant 17betaHSD1 expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL207413" "Tchem" "Homo sapiens" +"acetoxolone" 62 "Corticosteroid 11-beta-dehydrogenase isozyme 1" "Enzyme" "P28845" "HSD11B1" "DHI1_HUMAN" 6.1 "IC50" "Inhibition of human recombinant 11-beta-HSD1 expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL207413" "Tclin" "Homo sapiens" +"acetoxolone" 62 "Corticosteroid 11-beta-dehydrogenase isozyme 2" "Enzyme" "P80365" "HSD11B2" "DHI2_HUMAN" 6.7 "IC50" "Inhibition of human recombinant 11-beta-HSD2 expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL207413" "Tchem" "Homo sapiens" +"acetoxolone" 62 "Estradiol 17-beta-dehydrogenase 2" "Enzyme" "P37059" "HSD17B2" "DHB2_HUMAN" 5.42 "IC50" "Inhibition of human recombinant 17-beta-HSD2 expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL207413" "Tchem" "Homo sapiens" +"acetylcholine" 65 "Neuronal acetylcholine receptor; alpha4/beta4" "Ion channel" "P09483|P12392" "Chrna4|Chrnb4" "ACHA4_RAT|ACHB4_RAT" 7.24 "Ki" "Displacement of [3H]epibatidine from rat recombinant alpha4beta4 nAChR expressed in HEK293 cells after 4 hrs by scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL667" "Rattus norvegicus" +"acetylcholine" 65 "Acetylcholine receptor subunit delta" "Ion channel" "P02718" "chrnd" "ACHD_TORCA" 7.37 "Ki" "Binding affinity towards rat forebrain nicotinic acetylcholine receptor using [3H]EB as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL667" "Torpedo californica" +"acetylcholine" 65 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P36544" "CHRNA7" "ACHA7_HUMAN" 5.1 "Ki" "Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells after 1.5 hrs by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL667" "Tchem" "Homo sapiens" +"acetylcholine" 65 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "Q05941" "Chrna7" "ACHA7_RAT" 5.45 "Ki" "Displacement of [3H]alpha-bungaro-toxine from nicotinic alpha-7 receptor in rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL667" "Rattus norvegicus" +"acetylcholine" 65 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P09483|P12390" "Chrna4|Chrnb2" "ACHA4_RAT|ACHB2_RAT" 8.12 "Ki" "Displacement of [3H]-cytisine from Alpha4-beta2 Nicotinic acetylcholine receptor of rat brain homogenates" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL667" "Rattus norvegicus" +"acetylcholine" 65 "Nicotinic acetylcholine receptor alpha8 subunit" "Unclassified" "H6TY12" "H6TY12_PERAM" 4.94 "EC50" "Agonist activity at Periplaneta americana (American cockroach) nAChR in terminal abdominal ganglion assessed as assessed as inward current by tight-seal whole cell patch clamp method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL667" "Periplaneta americana" +"acetylcholine" 65 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm2|Chrm3|Chrm4|Chrm5" "ACM1_RAT|ACM2_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT" 7.92 "IC50" "Compound was tested in vitro for its binding affinity to muscarinic acetylcholine receptor from rat cortical homogenates using [3H]OXO-M as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL667" "Rattus norvegicus" +"acetylcholine" 65 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.66 "EC50" "Activation of M3-ACh receptor-FLASH/CFP expressed in HEK293 cells assessed as FRET signal" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL667" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL667" "AGONIST" "Tclin" "Homo sapiens" +"acetylcholine" 65 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P17787|P43681" "CHRNA4|CHRNB2" "ACHA4_HUMAN|ACHB2_HUMAN" 5.8 "EC50" "Partial agonist activity at human 2:3 alpha4beta2 nAChR expressed in Xenopus laevis oocytes after 1 min by two electrode voltage clamp technique" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL667" "Tclin|Tclin" "Homo sapiens" +"acetylcholine" 65 "Acetylcholine-binding protein" "Unclassified" "P58154" "ACHP_LYMST" 5.5 "Ki" "Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL667" "Lymnaea stagnalis" +"acetylcholine" 65 "Neuronal acetylcholine receptor; alpha3/beta2" "Ion channel" "P04757|P12390" "Chrna3|Chrnb2" "ACHA3_RAT|ACHB2_RAT" 7.39 "Ki" "Binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta2 expressed in HEK293 cells using [3H]EB as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL667" "Rattus norvegicus" +"acetylcholine" 65 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.1 "EC50" "Activation of M5-ACh receptor-FLASH/CFP expressed in HEK293 cells assessed as FRET signal" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL667" "Tclin" "Homo sapiens" +"acetylcholine" 65 "Neuronal acetylcholine receptor; alpha3/beta4" "Ion channel" "P04757|P12392" "Chrna3|Chrnb4" "ACHA3_RAT|ACHB4_RAT" 6.21 "Ki" "Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 3 hrs" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL667" "Rattus norvegicus" +"acetylcholine" 65 "Neuronal acetylcholine receptor; alpha2/beta2" "Ion channel" "P12389|P12390" "Chrna2|Chrnb2" "ACHA2_RAT|ACHB2_RAT" 7.96 "Ki" "Binding affinity towards rat nicotinic acetylcholine receptor alpha2-beta2 expressed in HEK293 cells using [3H]EB as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL667" "Rattus norvegicus" +"acetylcholine" 65 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.11 "EC50" "Activation of M1-ACh receptor-FLASH/CFP expressed in HEK293 cells assessed as FRET signal" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL667" "Tclin" "Homo sapiens" +"acetylcholine" 65 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=294" "AGONIST" "Tclin" "Homo sapiens" +"acetylcholine" 65 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=294" "AGONIST" "Tclin" "Homo sapiens" +"acetylcysteine" 66 "Superoxide dismutase [Mn], mitochondrial" "Enzyme" "P04179" "SOD2" "SODM_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"acetylcysteine" 66 "Vascular endothelial growth factor A" "Secreted" "P15692" "VEGFA" "VEGFA_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"acetylcysteine" 66 "Cytochrome c" "Unclassified" "P99999" "CYCS" "CYC_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"acetyldigitoxin" 67 "Sodium/potassium-transporting ATPase" "Transporter" "P05023|P05026|P13637|P14415|P50993|P54709|P54710|Q13733" "ATP1A1|ATP1A2|ATP1A3|ATP1A4|ATP1B1|ATP1B2|ATP1B3|FXYD2" "AT1A1_HUMAN|AT1A2_HUMAN|AT1A3_HUMAN|AT1A4_HUMAN|AT1B1_HUMAN|AT1B2_HUMAN|AT1B3_HUMAN|ATNG_HUMAN" "Mechanism of Action; CHEMBL2095186; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3545057" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3545057" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"acepromazine" 73 "Major prion protein" "Surface antigen" "P04156" "PRNP" "PRIO_HUMAN" 5.3 "EC50" "Half maximal inhibition of Prion protein PrPsc formation was assayed in ScN2a cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL39560" "Tchem" "Homo sapiens" +"acetylsalicylic acid" 74 "Gamma-glutamyltranspeptidase 1" "Enzyme" "P19440" "GGT1" "GGT1_HUMAN" 4.44 "IC50" "Inhibition of gamma-glutamyltranspeptidase by colorimetric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL25" "Tbio" "Homo sapiens" +"acetylsalicylic acid" 74 "Prostaglandin G/H synthase 1" "Enzyme" "O62664" "PTGS1" "PGH1_BOVIN" 6.46 "IC50" "Inhibition of bovine COX-1 by enzyme immuno assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL25" "Bos taurus" +"acetylsalicylic acid" 74 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 5.62 "IC50" "In vitro inhibition of ovine prostaglandin G/H synthase 2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL25" "Ovis aries" +"acetylsalicylic acid" 74 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 6.52 "IC50" "In vitro inhibitory concentration against COX-1 enzyme" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL25" "Ovis aries" +"acetylsalicylic acid" 74 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.77 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL25" "INHIBITOR" "Tclin" "Homo sapiens" +"acetylsalicylic acid" 74 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 5.12 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL25" "INHIBITOR" "Tclin" "Homo sapiens" +"acetylsalicylic acid" 74 "Acidic phospholipase A2 3" "Enzyme" "P60045" "PA2A3_NAJSG" 5.2 "Kd" "WOMBAT-PK" "=" "Naja sagittifera" +"acipimox" 76 "Hydroxycarboxylic acid receptor 2" "GPCR" "Q8TDS4" "HCAR2" "HCAR2_HUMAN" 5.6 "EC50" "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1596" "http://www.ncbi.nlm.nih.gov/pubmed/17705685" "AGONIST" "Tclin" "Homo sapiens" +"acitretin" 78 "Retinoic acid receptor alpha" "Nuclear hormone receptor" "P10276" "RARA" "RARA_HUMAN" "Mechanism of Action" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1131" "AGONIST" "Tclin" "Homo sapiens" +"acitretin" 78 "Retinoic acid receptor gamma" "Nuclear hormone receptor" "P13631" "RARG" "RARG_HUMAN" "Mechanism of Action" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1131" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1131" "AGONIST" "Tclin" "Homo sapiens" +"acitretin" 78 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 4.73999977111816 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1131" "Tchem" "Homo sapiens" +"acitretin" 78 "Bile salt export pump" "Unclassified" "O70127" "Abcb11" "ABCBB_RAT" 4.71 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1131" "Rattus norvegicus" +"aclarubicin" 80 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.152427341 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"aclarubicin" 80 "72 kDa type IV collagenase" "Enzyme" "P08253" "MMP2" "MMP2_HUMAN" 5 "IC50" "Concentration inhibiting Clostridium histolyticum collagenase." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502620" "Tchem" "Homo sapiens" +"aclatonium" 81 "Muscarinic acetylcholine receptor" "GPCR" "P08172|P08173|P08912|P11229|P20309" "CHRM1|CHRM2|CHRM3|CHRM4|CHRM5" "ACM1_HUMAN|ACM2_HUMAN|ACM3_HUMAN|ACM4_HUMAN|ACM5_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/1696381" "http://www.ncbi.nlm.nih.gov/pubmed/1696381" "AGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"acrivastine" 82 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.16 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1224" "ANTAGONIST" "Tclin" "Homo sapiens" +"acrivastine" 82 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"acrivastine" 82 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 5.21 "IC50" "Inhibition of H1 receptor in Cavia porcellus Hartley (guinea pig) ileum assessed as inhibition of histamine-induced spasms incubated 2 min prior histamine-challenge" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1224" "Cavia porcellus" +"aciclovir" 85 "DNA polymerase catalytic subunit" "Enzyme" "P09252" "DPOL_VZVD" "WOMBAT-PK" "Varicella-zoster virus (strain Dumas)" +"aciclovir" 85 "Thymidine kinase" "Kinase" "Q9QNF7" "TK" "KITH_HHV1" "WOMBAT-PK" "Human herpesvirus 1" +"aciclovir" 85 "Thymidine kinase" "Kinase" "P04407" "TK" "KITH_HHV23" "WOMBAT-PK" "Human herpesvirus 2 (strain 333)" +"aciclovir" 85 "Thymidine kinase" "Kinase" "P09250" "KITH_VZVD" "WOMBAT-PK" "Varicella-zoster virus (strain Dumas)" +"aciclovir" 85 "Purine nucleoside phosphorylase" "Unclassified" "P9WP01" "punA" "PUNA_MYCTU" 4.9 "Kd" "Binding affinity to Mycobacterium tuberculosis purine nucleoside phosphorylase by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL184" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"adapalene" 87 "Retinoic acid receptor alpha" "Nuclear hormone receptor" "P10276" "RARA" "RARA_HUMAN" 5.96 "Ki" "Binding affinity towards Retinoic acid receptor alpha" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1265" "Tclin" "Homo sapiens" +"adapalene" 87 "Retinoic acid receptor gamma" "Nuclear hormone receptor" "P13631" "RARG" "RARG_HUMAN" 6.89 "Ki" "Binding affinity towards Retinoic acid receptor gamma" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1265" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1265" "AGONIST" "Tclin" "Homo sapiens" +"adapalene" 87 "Retinoic acid receptor beta" "Nuclear hormone receptor" "P10826" "RARB" "RARB_HUMAN" 7.47 "Ki" "Binding affinity towards Retinoic acid receptor beta" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1265" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1265" "AGONIST" "Tclin" "Homo sapiens" +"adapalene" 87 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 5.8899998664856 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1265" "Tclin" "Homo sapiens" +"adefovir dipivoxil" 88 "DNA polymerase subunit gamma-1" "Enzyme" "P54098" "POLG" "DPOG1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"adefovir dipivoxil" 88 "Protein P" "Polyprotein" "Q9IF40" "P" "Q9IF40_HBV" "Mechanism of Action; CHEMBL2362994; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL484" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL484" "INHIBITOR" "Hepatitis B virus" +"adenine" 89 "Phosphatidylinositol 4-kinase, PI4K" "Kinase" "P42356|Q8TCG2|Q9BTU6|Q9UBF8" "PI4K2A|PI4K2B|PI4KA|PI4KB" "P4K2A_HUMAN|P4K2B_HUMAN|PI4KA_HUMAN|PI4KB_HUMAN" 4.07 "Ki" "Binding affinity (Ki) against human phosphatidylinositol 4-kinase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL226345" "Tbio|Tbio|Tchem|Tchem" "Homo sapiens" +"adenine" 89 "Xanthine dehydrogenase/oxidase" "Enzyme" "P47989" "XDH" "XDH_HUMAN" 4.96 "IC50" "Inhibition of human xanthine oxidase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL226345" "Tclin" "Homo sapiens" +"adenosine" 90 "Adenosine receptor A2b" "GPCR" "P29275" "ADORA2B" "AA2BR_HUMAN" 4.6198 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477" "AGONIST" "Tclin" "Homo sapiens" +"adenosine" 90 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 6.5086 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477" "AGONIST" "Tclin" "Homo sapiens" +"adenosine" 90 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 8.29 "Ki" "Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477" "Rattus norvegicus" +"adenosine" 90 "cAMP-dependent protein kinase A" "Unclassified" "P00515|P00517|P05131|P31322" "PRKACA|PRKACB|PRKAR2A|PRKAR2B" "KAP2_BOVIN|KAP3_BOVIN|KAPCA_BOVIN|KAPCB_BOVIN" 4.82 "Ki" "Inhibitory constant for Protein Kinase A" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477" "Bos taurus" +"adenosine" 90 "Adenosine kinase" "Kinase" "Q9TVW2" "AK" "ADK_TOXGO" 5.05 "Ki" "Binding affinity to purified Toxoplasma gondii adenosine kinase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477" "Toxoplasma gondii" +"adenosine" 90 "Adenosine receptor A2a" "GPCR" "P30543" "Adora2a" "AA2AR_RAT" 7.52 "Ki" "Displacement of specific [3H]-CGS- 21680 binding to adenosine A2A receptor in rat striatal membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477" "Rattus norvegicus" +"adenosine" 90 "Adenosine A2 receptor" "GPCR" "P29276|P30543" "Adora2a|Adora2b" "AA2AR_RAT|AA2BR_RAT" 8.3 "Ki" "Binding affinity for Adenosine A2 receptor in corpora striata of rats using [3H]NECA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477" "Rattus norvegicus" +"adenosine" 90 "Glyceraldehyde-3-phosphate dehydrogenase liver" "Enzyme" "P04406" "GAPDH" "G3P_HUMAN" 4.46 "IC50" "Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate dehydrogenase (gGAPDH) of human erythrocyte" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477" "Tchem" "Homo sapiens" +"adenosine" 90 "Adenosine receptor A3" "GPCR" "P28647" "Adora3" "AA3R_RAT" 7 "Ki" "Displacement of [125I]- AB-MECA from rat adenosine A3 receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477" "Rattus norvegicus" +"adenosine" 90 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 6.1549 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477" "AGONIST" "Tclin" "Homo sapiens" +"adenosine" 90 "Adenosine deaminase" "Enzyme" "P00813" "ADA" "ADA_HUMAN" 4.6021 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"adenosine" 90 "Adenosine kinase" "Kinase" "P55263" "ADK" "ADK_HUMAN" 6 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"adenosine" 90 "Adenosylhomocysteinase" "Enzyme" "P23526" "AHCY" "SAHH_HUMAN" 5.7959 "Km" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"adenosine" 90 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 6.54 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2844" "AGONIST" "Tchem" "Homo sapiens" +"adenosine" 90 "Phosphatidylinositol 4-kinase type 2-alpha" "Kinase" "Q9BTU6" "PI4K2A" "P4K2A_HUMAN" 5 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2844" "INHIBITOR" "Tbio" "Homo sapiens" +"adenosine" 90 "Phosphatidylinositol 4-kinase type 2-beta" "Kinase" "Q8TCG2" "PI4K2B" "P4K2B_HUMAN" 5 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2844" "INHIBITOR" "Tbio" "Homo sapiens" +"adenosine triphosphate" 91 "P2X purinoceptor 2" "Unclassified" "P49653" "P2rx2" "P2RX2_RAT" 5.85 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1713" "AGONIST" "Rattus norvegicus" +"adenosine triphosphate" 91 "P2X purinoceptor 1" "Ion channel" "P51575" "P2RX1" "P2RX1_HUMAN" 7.25 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1713" "AGONIST" "Tchem" "Homo sapiens" +"adenosine triphosphate" 91 "P2X purinoceptor 5" "Unclassified" "P51578" "P2rx5" "P2RX5_RAT" 6 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1713" "AGONIST" "Rattus norvegicus" +"adenosine triphosphate" 91 "P2X purinoceptor 6" "Unclassified" "P51579" "P2rx6" "P2RX6_RAT" 6 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1713" "AGONIST" "Rattus norvegicus" +"adenosine triphosphate" 91 "Transient receptor potential cation channel subfamily M member 4" "Unclassified" "Q7TN37" "Trpm4" "TRPM4_MOUSE" 6.1 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1713" "BLOCKER" "Mus musculus" +"adenosine triphosphate" 91 "P2X purinoceptor 4" "Ion channel" "Q99571" "P2RX4" "P2RX4_HUMAN" 6.3 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1713" "AGONIST" "Tchem" "Homo sapiens" +"adenosine triphosphate" 91 "P2X purinoceptor 4" "Unclassified" "Q9JJX6" "P2rx4" "P2RX4_MOUSE" 6 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1713" "AGONIST" "Mus musculus" +"adenosine triphosphate" 91 "P2Y purinoceptor 2" "GPCR" "P41231" "P2RY2" "P2RY2_HUMAN" 7.1 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1713" "AGONIST" "Tclin" "Homo sapiens" +"adenosine triphosphate" 91 "P2Y purinoceptor 13" "GPCR" "Q9BPV8" "P2RY13" "P2Y13_HUMAN" 5.4 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1713" "AGONIST" "Tchem" "Homo sapiens" +"adenosine triphosphate" 91 "Transient receptor potential cation channel subfamily M member 4" "Ion channel" "Q8TD43" "TRPM4" "TRPM4_HUMAN" 5.8 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1713" "BLOCKER" "Tchem" "Homo sapiens" +"adenosine triphosphate" 91 "P2X purinoceptor 3" "Ion channel" "P56373" "P2RX3" "P2RX3_HUMAN" 7.835647144 "Ki" "PDSP" "Tchem" "Homo sapiens" +"adenosine triphosphate" 91 "Uracil nucleotide/cysteinyl leukotriene receptor" "GPCR" "Q13304" "GPR17" "GPR17_HUMAN" 7.43 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1713" "AGONIST" "Tchem" "Homo sapiens" +"adenosine triphosphate" 91 "P2Y purinoceptor 1" "GPCR" "P49652" "P2RY1" "P2RY1_MELGA" 5.55 "EC50" "Activation of Purinoceptor P2Y1-mediated phospholipase C in turkey erythrocyte membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14249" "Meleagris gallopavo" +"adenosine triphosphate" 91 "Endoplasmin" "Membrane other" "P41148" "HSP90B1" "ENPL_CANFA" 5.49 "IC50" "Displacement of 5-(3-(3-(6-amino-8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9H-purin-9-yl)propyl)thioureido)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid from dog Grp94 after 24 hrs by fluorescence polarization assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14249" "Canis familiaris" +"adenosine triphosphate" 91 "Heat shock protein 75 kDa, mitochondrial" "Unclassified" "Q12931" "TRAP1" "TRAP1_HUMAN" 4.5 "IC50" "Displacement of 5-(3-(3-(6-amino-8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9H-purin-9-yl)propyl)thioureido)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid from recombinant human Trap-1 after 24 hrs by fluorescence polarization assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14249" "Tchem" "Homo sapiens" +"adenosine triphosphate" 91 "P2Y purinoceptor 11" "GPCR" "Q96G91" "P2RY11" "P2Y11_HUMAN" 5.17 "EC50" "Agonist activity at human GFP-tagged P2Y11R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14249" "Tbio" "Homo sapiens" +"adenosine triphosphate" 91 "MAP kinase-activated protein kinase 2" "Kinase" "P49137" "MAPKAPK2" "MAPK2_HUMAN" 5.55 "IC50" "Inhibition of human recombinant phospho-MK2 (36-400) by HTRF assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14249" "Tchem" "Homo sapiens" +"adenosine triphosphate" 91 "Adenylate kinase 2" "Unclassified" "P29410" "Ak2" "KAD2_RAT" 4.05 "Ki" "Inhibitory activity against rat adenylate kinase II was determined in the presence of ATP, non competitive inhibition" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14249" "Rattus norvegicus" +"adenosine triphosphate" 91 "P2Y purinoceptor 4" "GPCR" "P51582" "P2RY4" "P2RY4_HUMAN" 6.2 "Ki" "GRAC: human P2Y4 selective antagonist" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14249" "Tchem" "Homo sapiens" +"adenosine triphosphate" 91 "P2Y purinoceptor 1" "GPCR" "P47900" "P2RY1" "P2RY1_HUMAN" 6.07 "EC50" "Agonist activity at human GFP-tagged P2Y1R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14249" "Tchem" "Homo sapiens" +"adenosine triphosphate" 91 "Heat shock cognate 71 kDa protein" "Unclassified" "P11142" "HSPA8" "HSP7C_HUMAN" 4.76000022888184 "IC50" "PUBCHEM_BIOASSAY: In Vitro Hsc70 Dose Response Fluorescence Polarization Assay. (Class of assay: confirmatory) [Related pubchem assays: 1072 ]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14249" "Tchem" "Homo sapiens" +"adenosine triphosphate" 91 "Heat shock 70 kDa protein 1A" "Unclassified" "P0DMV8" "HSPA1A" "HS71A_HUMAN" 5.46999979019165 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14249" "Tchem" "Homo sapiens" +"adenosine triphosphate" 91 "P2Y purinoceptor 4" "Unclassified" "O35811" "P2ry4" "P2RY4_RAT" 6.3 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1713" "AGONIST" "Rattus norvegicus" +"adenosine phosphate" 92 "Transient receptor potential cation channel subfamily M member 4" "Ion channel" "Q8TD43" "TRPM4" "TRPM4_HUMAN" 4.7 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2455" "GATING INHIBITOR" "Tchem" "Homo sapiens" +"adenosine phosphate" 92 "Fructose-1,6-bisphosphatase 1" "Enzyme" "P09467" "FBP1" "F16P1_HUMAN" 6.85 "IC50" "Inhibition of FBPase in human liver using fructose-2,6phosphate as a substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL752" "Tchem" "Homo sapiens" +"adenosine phosphate" 92 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 7 "IC50" "Inhibition of p60c-src expressed in chick embryo fibroblast" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL752" "Tclin" "Homo sapiens" +"adenosine phosphate" 92 "Transient receptor potential cation channel subfamily M member 2" "Ion channel" "O94759" "TRPM2" "TRPM2_HUMAN" 4.15 "IC50" "Inhibition of TRPM2 (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL752" "Tchem" "Homo sapiens" +"adenosine phosphate" 92 "Ketopantoate reductase" "Unclassified" "P0A9J4" "panE" "PANE_ECOLI" 2.2 "Ki" "Inhibition of Escherichia coli KPR" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL752" "Escherichia coli (strain K12)" +"adenosine phosphate" 92 "L-lactate dehydrogenase A chain" "Enzyme" "P00338" "LDHA" "LDHA_HUMAN" 3.19 "Kd" "Binding affinity to 6-His-tagged human LDHA (2 to 322 amino acid residue) expressed in Escherichia coli BL21 (DE3) cells by NMR analysis in presence of NADH" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL752" "Tchem" "Homo sapiens" +"adenosine phosphate" 92 "Pol polyprotein" "Enzyme" "Q72874" "pol" "Q72874_9HIV1" 9.64 "Ki" "Inhibition constant against HIV-1 Protease" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL752" "Human immunodeficiency virus 1" +"adenosine phosphate" 92 "Adenylate kinase 2" "Unclassified" "P29410" "Ak2" "KAD2_RAT" 4.1 "Ki" "Inhibitory activity against rat adenylate kinase II was determined in the presence of AMP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL752" "Rattus norvegicus" +"adenosine phosphate" 92 "Fructose-1,6-bisphosphatase 1" "Enzyme" "P00636" "FBP1" "F16P1_PIG" 5.89 "IC50" "Inhibition of pig FBPase expressed in Escherichia coli EK1601 by spectrophotometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL752" "Sus scrofa" +"adenosine phosphate" 92 "Alcohol dehydrogenase" "Enzyme" "P00327|P00328" "ADH1E_HORSE|ADH1S_HORSE" 4.42 "Ki" "Inhibition constant was evaluated against horse liver alcohol dehydrogenase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL752" "Equus caballus" +"adenosine phosphate" 92 "2'-deoxynucleoside 5'-phosphate N-hydrolase 1" "Enzyme" "O43598" "DNPH1" "DNPH1_HUMAN" 4.71999979019165 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL752" "Tchem" "Homo sapiens" +"adenosine phosphate" 92 "2'-deoxynucleoside 5'-phosphate N-hydrolase 1" "Unclassified" "O35820" "Dnph1" "DNPH1_RAT" 4.4 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL752" "Rattus norvegicus" +"adinazolam" 93 "Translocator protein" "Transporter" "P30536" "TSPO" "TSPO_HUMAN" 7.1 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"adinazolam" 93 "GABA-A receptor" "Ion channel" "O14764|P14867|P18505|P18507|P28472|P31644|P34903|P47869|P47870|P48169|Q16445|Q8N1C3|Q99928" "GABRA1|GABRA2|GABRA3|GABRA4|GABRA5|GABRA6|GABRB1|GABRB2|GABRB3|GABRD|GABRG1|GABRG2|GABRG3" "GBRA1_HUMAN|GBRA2_HUMAN|GBRA3_HUMAN|GBRA4_HUMAN|GBRA5_HUMAN|GBRA6_HUMAN|GBRB1_HUMAN|GBRB2_HUMAN|GBRB3_HUMAN|GBRD_HUMAN|GBRG1_HUMAN|GBRG2_HUMAN|GBRG3_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "KEGG DRUG" "http://www.ncbi.nlm.nih.gov/pubmed/6148400" "http://www.kegg.jp/entry/D02770" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"adiphenine" 94 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm2|Chrm3|Chrm4|Chrm5" "ACM1_RAT|ACM2_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT" 7.45 "Kd" "Affinity for the Muscarinic acetylcholine receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL353846" "Rattus norvegicus" +"adiphenine" 94 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 4.77 "IC50" "Displacement of [3H]mepyramine from histamine H1 receptor in Sprague-Dawley rat brain membrane after 2 hr by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL353846" "Rattus norvegicus" +"agomelatine" 99 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=198" "ANTAGONIST" "Tclin" "Homo sapiens" +"agomelatine" 99 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.2 "Ki" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=198" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/000916/WC500038317.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"agomelatine" 99 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=198" "ANTAGONIST" "Tclin" "Homo sapiens" +"agomelatine" 99 "Melatonin receptor" "GPCR" "P49285|P49288|P51050" "MTR1A_CHICK|MTR1B_CHICK|MTR1C_CHICK" 9.28 "Ki" "Binding affinity is evaluated for chicken brain melatonin receptor using 2-[125I]iodomelatonin as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL10878" "Gallus gallus" +"agomelatine" 99 "Melatonin receptor" "GPCR" "P48039|P49286" "MTNR1A|MTNR1B" "MTR1A_HUMAN|MTR1B_HUMAN" 10 "Ki" "Binding affinity against ovine pars tuberalis melatonin receptor using 2-[125I]- melatonin radioligand binding assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL10878" "Tclin|Tclin" "Homo sapiens" +"agomelatine" 99 "Melatonin receptor type 1A" "GPCR" "P48039" "MTNR1A" "MTR1A_HUMAN" 10.22 "Ki" "Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]iodomelatonin as radioligand" "CHEMBL" "=" 1 "DRUG LABEL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL10878" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/000916/WC500038317.pdf" "AGONIST" "Tclin" "Homo sapiens" +"agomelatine" 99 "Melatonin receptor type 1B" "GPCR" "P49286" "MTNR1B" "MTR1B_HUMAN" 10 "Ki" "Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in HEK293 cells after 2 hrs by gamma counting" "CHEMBL" "=" 1 "DRUG LABEL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL10878" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/000916/WC500038317.pdf" "AGONIST" "Tclin" "Homo sapiens" +"ajmaline" 100 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"alacepril" 101 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/3000389" "INHIBITOR" "Tclin" "Homo sapiens" +"alatrofloxacin" 102 "Topoisomerase IV" "Enzyme" "P0AFI2|P20083" "parC|parE" "PARC_ECOLI|PARE_ECOLI" "Mechanism of Action; CHEMBL2363076; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200498" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200498" "INHIBITOR" "Escherichia coli (strain K12)" +"alatrofloxacin" 102 "DNA gyrase" "Enzyme" "P0AES4|P0AES6" "gyrA|gyrB" "GYRA_ECOLI|GYRB_ECOLI" "Mechanism of Action; CHEMBL2311224; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200498" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200498" "INHIBITOR" "Escherichia coli (strain K12)" +"albendazole" 103 "Tubulin alpha chain" "Structural" "P50719" "TBA_HAECO" "WOMBAT-PK" "Haemonchus contortus" +"albendazole" 103 "Tubulin" "Structural" "C4PKY4|C4PKZ2|C4PKZ6" "C4PKY4_ECHGR|C4PKZ2_ECHGR|C4PKZ6_ECHGR" "Mechanism of Action; CHEMBL2364704; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1483" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1483" "INHIBITOR" "Echinococcus granulosus" +"albendazole" 103 "Tubulin" "Structural" "F1L005|F1L4P8|F1L5G6|F1L7U3|F1L7Y0|F1L8A5|F1LCS0" "F1L005_ASCSU|F1L4P8_ASCSU|F1L5G6_ASCSU|F1L7U3_ASCSU|F1L7Y0_ASCSU|F1L8A5_ASCSU|F1LCS0_ASCSU" "Mechanism of Action; CHEMBL2364705; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1483" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1483" "INHIBITOR" "Ascaris suum" +"albendazole sulfoxide" 104 "Tubulin alpha chain" "Structural" "P50719" "TBA_HAECO" "WOMBAT-PK" "Haemonchus contortus" +"salbutamol" 105 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.61261034011841 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"salbutamol" 105 "Beta-2 adrenergic receptor" "GPCR" "Q28044" "ADRB2" "ADRB2_BOVIN" 6.28 "Kd" "Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL714" "Bos taurus" +"salbutamol" 105 "Beta-2 adrenergic receptor" "GPCR" "Q8K4Z4" "Adrb2" "ADRB2_CAVPO" 5.94 "Kd" "Binding affinity to adrenergic beta2 receptor in Hartley guinea pig tracheal ring" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL714" "Cavia porcellus" +"salbutamol" 105 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.95 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL714" "AGONIST" "Tclin" "Homo sapiens" +"alclofenac" 107 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"alclofenac" 107 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"alcuronium" 109 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.9 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=341" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"alcuronium" 109 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.8 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=341" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"alcuronium" 109 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=341" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"alcuronium" 109 "Neuronal acetylcholine receptor; alpha4/beta4" "Ion channel" "P30926|P43681" "CHRNA4|CHRNB4" "ACHA4_HUMAN|ACHB4_HUMAN" 4.3468 "IC50" "WOMBAT-PK" "=" "Tclin|Tclin" "Homo sapiens" +"alcuronium" 109 "Acetylcholine receptor" "Ion channel" "P02708|P11230|Q07001" "CHRNA1|CHRNB1|CHRND" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN" "WOMBAT-PK" "Tclin|Tclin|Tclin" "Homo sapiens" +"alcuronium" 109 "Neuronal acetylcholine receptor subunit alpha-2" "Ion channel" "Q15822" "CHRNA2" "ACHA2_HUMAN" 4.7212 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"alcuronium" 109 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.6 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"alcuronium" 109 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P36544" "CHRNA7" "ACHA7_HUMAN" 5.9586 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"alcuronium" 109 "Muscarinic acetylcholine receptor M2" "GPCR" "P06199" "CHRM2" "ACM2_PIG" 8.7 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL120476" "Sus scrofa" +"aldosterone" 111 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 5.32 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL273453" "Tchem" "Homo sapiens" +"aldosterone" 111 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 8.42 "EC50" "Agonist activity at mineralocorticoid receptor ligand binding domain expressed in african green monkey COS7 cells co-transfected with Gal4-LBD by luciferase reporter gene assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL273453" "Tclin" "Homo sapiens" +"aldosterone" 111 "Mineralocorticoid receptor" "Transcription factor" "P22199" "Nr3c2" "MCR_RAT" 7.37 "IC50" "Displacement of [3H]aldosterone from Sprague-Dawley rat MR by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL273453" "Rattus norvegicus" +"aldosterone" 111 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 6.28 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL273453" "Tbio" "Homo sapiens" +"alendronic acid" 112 "Protein farnesyltransferase subunit beta" "Enzyme" "P49356" "FNTB" "FNTB_HUMAN" 7.301 "IC50" "WOMBAT-PK" "=" "Homo sapiens" +"alendronic acid" 112 "Farnesyl pyrophosphate synthase" "Enzyme" "P14324" "FDPS" "FPPS_HUMAN" 7.35 "Ki" "Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL675" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL675" "INHIBITOR" "Tclin" "Homo sapiens" +"alendronic acid" 112 "Farnesyl pyrophosphate synthase" "Enzyme" "Q0GKD7" "Q0GKD7_LEIDO" 7.02 "Ki" "Binding affinity towards Farnesyl diphosphate synthase from leishmania major" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL675" "Leishmania donovani" +"alexidine" 113 "Toll-like receptor 9" "Membrane receptor" "Q9NR96" "TLR9" "TLR9_HUMAN" 5.21000003814697 "IC50" "PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for inhibitors of TLR9-MyD88 binding. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504734, AID504750, AID540250, AID540251]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL554041" "Tclin" "Homo sapiens" +"alexidine" 113 "Beta-lactamase" "Unclassified" "Q932Y6" "bla(tem-2)" "Q932Y6_PSEAI" 5.28 "IC50" "PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescence-based cell-based high throughput dose response assay to identify non-selective inhibitors of the beta-lactamase enzyme (BLA). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504734, AID504750, AID540250, AID540251]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL554041" "Pseudomonas aeruginosa" +"alfentanil" 114 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 8.5 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL634" "AGONIST" "Tclin" "Homo sapiens" +"alfentanil" 114 "Mu-type opioid receptor" "GPCR" "P97266" "OPRM1" "OPRM_CAVPO" 7.82 "IC50" "In vitro binding activity against opioid receptor mu using [3H]DAGO) as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL634" "Cavia porcellus" +"alfentanil" 114 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprk1|Oprm1|Sigmar1" "OPRD_RAT|OPRK_RAT|OPRM_RAT|SGMR1_RAT" 8.09 "Ki" "In vitro affinity to displace [3H]naloxone from opiate receptor in freshly prepared rat brain homogenates" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL634" "Rattus norvegicus" +"alfentanil" 114 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 8.09 "Ki" "Ability to displace [3H]naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL634" "Rattus norvegicus" +"alfentanil" 114 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 3.9508 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"alfuzosin" 115 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 7.64 "Ki" "Binding affinity against Alpha-1A adrenergic receptor from bovine clone" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL709" "Bos taurus" +"alfuzosin" 115 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.44 "Ki" "Binding affinity against Alpha-1D adrenergic receptor, from human clones." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL709" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL709" "ANTAGONIST" "Tclin" "Homo sapiens" +"alfuzosin" 115 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.09 "Ki" "Binding affinity against Alpha-1A adrenergic receptor from human clone" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL709" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL709" "ANTAGONIST" "Tclin" "Homo sapiens" +"alfuzosin" 115 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 8.55 "Ki" "Binding affinity against Alpha-1B adrenergic receptor from human clone" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL709" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL709" "ANTAGONIST" "Tclin" "Homo sapiens" +"alfuzosin" 115 "Alpha-1D adrenergic receptor" "GPCR" "P23944" "Adra1d" "ADA1D_RAT" 8.46 "Ki" "Binding affinity against Alpha-1D adrenergic receptor, from rat clones." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL709" "Rattus norvegicus" +"aliskiren" 119 "Renin" "Enzyme" "P00797" "REN" "RENI_HUMAN" 9.22 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1639" "INHIBITOR" "Tclin" "Homo sapiens" +"aliskiren" 119 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.6778 "Km" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"aliskiren" 119 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 4.61 "Km" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"aliskiren" 119 "Renin" "Enzyme" "Q9TSZ1" "REN" "RENI_CALJA" 8.7 "IC50" "Inhibition of renin in marmoset plasma" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1639" "Callithrix jacchus" +"aliskiren" 119 "Renin" "Enzyme" "Q7M3D2" "Q7M3D2_RABIT" 7.96 "IC50" "Inhibition of rabbit renin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1639" "Oryctolagus cuniculus" +"aliskiren" 119 "Renin" "Enzyme" "Q6DLS0" "REN" "RENI_MACFA" 8.1 "IC50" "Inhibition of cynomolgus monkey plasma renin activity after 60 mins by competitive RIA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1639" "Macaca fascicularis" +"aliskiren" 119 "Renin-1" "Enzyme" "P06281" "Ren1" "RENI1_MOUSE" 8.35 "IC50" "Inhibition of mouse renin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1639" "Mus musculus" +"aliskiren" 119 "Renin" "Enzyme" "P08424" "Ren1" "RENI_RAT" 7.1 "IC50" "Inhibition of rat renin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1639" "Rattus norvegicus" +"aliskiren" 119 "Protease" "Enzyme" "Q9YQ12" "protease" "Q9YQ12_9HIV1" 7.12 "Ki" "Inhibition of HIV1 recombinant protease using Lys-Ala-Arg-Val-Nle-Nph-Glu-Ala-Nle-NH2 as substrate by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1639" "Human immunodeficiency virus 1" +"alizapride" 120 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 6.7 "IC50" "In vitro antagonistic activity against Dopamine receptor D2 was evaluated for the inhibition of [3H]spiperone binding" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL290194" "Rattus norvegicus" +"alizapride" 120 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"alizapride" 120 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.15 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"allopurinol" 124 "Xanthine dehydrogenase/oxidase" "Enzyme" "P80457" "XDH" "XDH_BOVIN" 6 "Ki" "Mixed-type inhibition of bovine milk xanthine oxidase using xanthine as substrate by Lineweaver-Burk plot analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1467" "Bos taurus" +"allopurinol" 124 "Xanthine dehydrogenase/oxidase" "Enzyme" "P22985" "Xdh" "XDH_RAT" 6.12 "IC50" "Inhibition of rat liver xanthine oxidase by spectrophotometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1467" "Rattus norvegicus" +"allopurinol" 124 "Xanthine dehydrogenase/oxidase" "Enzyme" "P47989" "XDH" "XDH_HUMAN" 5.15 "Ki" "Inhibitory activity against Xanthine Oxidase" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1467" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1467" "INHIBITOR" "Tclin" "Homo sapiens" +"allopurinol" 124 "Hypoxanthine-guanine phosphoribosyltransferase" "Enzyme" "P00492" "HPRT1" "HPRT_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"almotriptan" 128 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 7.2 "Ki" "WOMBAT-PK" "=" "AGONIST" "Tclin" "Homo sapiens" +"almotriptan" 128 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 7.5 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1505" "AGONIST" "Tclin" "Homo sapiens" +"almotriptan" 128 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 8 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1505" "AGONIST" "Tclin" "Homo sapiens" +"alosetron" 129 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.193820026 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"alosetron" 129 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 6.218460031 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"alosetron" 129 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 9.3 "Ki" "Binding affinity to human HT3A receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1110" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1110" "ANTAGONIST" "Tclin" "Homo sapiens" +"alosetron" 129 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.64 "IC50" "Inhibition of human ERG expressed in HEK cells by patch clamp technique" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1110" "Tclin" "Homo sapiens" +"alfacalcidol" 130 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"alfacalcidol" 130 "Vitamin D3 receptor" "Nuclear hormone receptor" "P11473" "VDR" "VDR_HUMAN" "WOMBAT-PK" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01518" "AGONIST" "Tclin" "Homo sapiens" +"alfaxalone" 133 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 5.699 "EC50" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin" "Homo sapiens" +"alfaxalone" 133 "Sodium- and chloride-dependent GABA transporter 1" "Transporter" "P30531" "SLC6A1" "SC6A1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"alfaxalone" 133 "GABA-A receptor; anion channel" "Ion channel" "O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14" "Gabra1|Gabra2|Gabra3|Gabra4|Gabra5|Gabra6|Gabrb1|Gabrb2|Gabrb3|Gabrd|Gabre|Gabrg1|Gabrg2|Gabrg3|Gabrp|Gabrq" "GBRA1_RAT|GBRA2_RAT|GBRA3_RAT|GBRA4_RAT|GBRA5_RAT|GBRA6_RAT|GBRB1_RAT|GBRB2_RAT|GBRB3_RAT|GBRD_RAT|GBRE_RAT|GBRG1_RAT|GBRG2_RAT|GBRG3_RAT|GBRP_RAT|Q91ZM7_RAT" 6.52 "IC50" "Inhibition of [35S]TBPS binding to GABA-A receptor in rat cerebral cortex." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL190279" "Rattus norvegicus" +"alfaxalone" 133 "GABA A receptor alpha-2/beta-2/gamma-2" "Ion channel" "P18507|P47869|P47870" "GABRA2|GABRB2|GABRG2" "GBRA2_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 5.69999980926514 "EC50" "Effective concentration against GABA-evoked chloride currents mediated by human Gamma-aminobutyric acid GABA-A receptor alpha2-beta2-gamma2L expressed in Xenopus oocytes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL190279" "Tclin|Tclin|Tclin" "Homo sapiens" +"alpidem" 134 "Translocator protein" "Membrane receptor" "P16257" "Tspo" "TSPO_RAT" 9.3 "Ki" "Displacement of [3H]PK 11195 from peripheral-type benzodiazepine receptor in rat kidney mitochondrial membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54349" "Rattus norvegicus" +"alpidem" 134 "GABA-A receptor; anion channel" "Ion channel" "O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14" "Gabra1|Gabra2|Gabra3|Gabra4|Gabra5|Gabra6|Gabrb1|Gabrb2|Gabrb3|Gabrd|Gabre|Gabrg1|Gabrg2|Gabrg3|Gabrp|Gabrq" "GBRA1_RAT|GBRA2_RAT|GBRA3_RAT|GBRA4_RAT|GBRA5_RAT|GBRA6_RAT|GBRB1_RAT|GBRB2_RAT|GBRB3_RAT|GBRD_RAT|GBRE_RAT|GBRG1_RAT|GBRG2_RAT|GBRG3_RAT|GBRP_RAT|Q91ZM7_RAT" 7.59 "IC50" "Displacement of [3H]flunitrazepam from rat brain GABA-A Benzodiazepine receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54349" "Rattus norvegicus" +"alpidem" 134 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 5.03999996185303 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54349" "Tchem" "Homo sapiens" +"alpidem" 134 "Bile salt export pump" "Unclassified" "O70127" "Abcb11" "ABCBB_RAT" 4.64 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54349" "Rattus norvegicus" +"alprazolam" 136 "Platelet-activating factor receptor" "GPCR" "P25105" "PTAFR" "PTAFR_HUMAN" 5.45734691619873 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"alprazolam" 136 "Cholecystokinin receptor type A" "GPCR" "P30551" "Cckar" "CCKAR_RAT" 4.19 "IC50" "Displacement of [125I]CCK from Cholecystokinin receptor of rat pancreas" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL661" "Rattus norvegicus" +"alprazolam" 136 "Bromodomain-containing protein 4" "Unclassified" "O60885" "BRD4" "BRD4_HUMAN" 5.61 "Kd" "Binding affinity to BRD4-BD1 by isothermal titration calorimetry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL661" "Tchem" "Homo sapiens" +"alprazolam" 136 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 7.4318 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL661" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"alprazolam" 136 "GABA-A receptor alpha-2/beta-3/gamma-2" "Ion channel" "P18507|P28472|P47869" "GABRA2|GABRB3|GABRG2" "GBRA2_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 7.9208 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL661" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"alprazolam" 136 "GABA-A receptor alpha-3/beta-3/gamma-2" "Ion channel" "P18507|P28472|P34903" "GABRA3|GABRB3|GABRG2" "GBRA3_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 7.1612 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL661" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"alprazolam" 136 "GABA-A receptor alpha-5/beta-3/gamma-2" "Ion channel" "P18507|P28472|P31644" "GABRA5|GABRB3|GABRG2" "GBRA5_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 8 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL661" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"alprazolam" 136 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 3.85 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"alprenolol" 137 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.29242992401123 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"alprenolol" 137 "Beta-2 adrenergic receptor" "GPCR" "Q28044" "ADRB2" "ADRB2_BOVIN" 8.53 "IC50" "Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-2 adrenergic receptor in calf lung membranes." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL266195" "Bos taurus" +"alprenolol" 137 "Squalene synthase" "Enzyme" "Q02769" "Fdft1" "FDFT_RAT" 5.38 "IC50" "Inhibition of rat microsomal squalene synthase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL266195" "Rattus norvegicus" +"alprenolol" 137 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 6.86 "Kd" "Displacement of [3H]-CGP 12177 from human beta-3 adrenergic receptor expressed in CHOK1 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL266195" "Tclin" "Homo sapiens" +"alprenolol" 137 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 9.6777811050415 "Kd" "radioligand [3H]CGP12177 0.15nM competition binding; human recombinant beta-adrenoreceptors in Sf9 cells" "SCIENTIFIC LITERATURE" "=" 1 "KEGG DRUG" "http://www.ncbi.nlm.nih.gov/pubmed/12388666" "http://www.kegg.jp/entry/D01182" "ANTAGONIST" "Tclin" "Homo sapiens" +"alprenolol" 137 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 9.65757751464844 "Kd" "radioligand [3H]CGP12177 0.15nM competition binding; human recombinant beta-adrenoceptors in Sf9 cells" "SCIENTIFIC LITERATURE" "=" 1 "IUPHAR" "http://www.ncbi.nlm.nih.gov/pubmed/12388666" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=563" "ANTAGONIST" "Tclin" "Homo sapiens" +"alprenolol" 137 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.93 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL266195" "Rattus norvegicus" +"alprostadil" 138 "Prostaglandin E2 receptor EP3 subtype" "Unclassified" "P34980" "Ptger3" "PE2R3_RAT" 9.35 "EC50" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" +"alprostadil" 138 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P43114" "Ptger4" "PE2R4_RAT" 9.2 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" +"alprostadil" 138 "Prostacyclin receptor" "Unclassified" "P43252" "Ptgir" "PI2R_MOUSE" 7.5 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" +"alprostadil" 138 "Prostaglandin E2 receptor EP1 subtype" "Unclassified" "P70597" "Ptger1" "PE2R1_RAT" 7 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" +"alprostadil" 138 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "Q62928" "Ptger2" "PE2R2_RAT" 8 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" +"alprostadil" 138 "Cation channel sperm-associated protein 4" "Ion channel" "Q7RTX7" "CATSPER4" "CTSR4_HUMAN" 6.3 "EC50" "Patch clamp electrophysiology." "IUPHAR" "=" "ACTIVATOR" "Tchem" "Homo sapiens" +"alprostadil" 138 "Cation channel sperm-associated protein 3" "Ion channel" "Q86XQ3" "CATSPER3" "CTSR3_HUMAN" 6.3 "EC50" "Patch clamp electrophysiology." "IUPHAR" "=" "ACTIVATOR" "Tchem" "Homo sapiens" +"alprostadil" 138 "Cation channel sperm-associated protein 1" "Ion channel" "Q8NEC5" "CATSPER1" "CTSR1_HUMAN" 6.3 "EC50" "Patch clamp electrophysiology" "IUPHAR" "=" "ACTIVATOR" "Tchem" "Homo sapiens" +"alprostadil" 138 "Cation channel sperm-associated protein 2" "Ion channel" "Q96P56" "CATSPER2" "CTSR2_HUMAN" 6.3 "EC50" "Patch clamp electrophysiology." "IUPHAR" "=" "ACTIVATOR" "Tchem" "Homo sapiens" +"alprostadil" 138 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P35408" "PTGER4" "PE2R4_HUMAN" 8.8 "EC50" "WOMBAT-PK" "=" "AGONIST" "Tclin" "Homo sapiens" +"alprostadil" 138 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "P43116" "PTGER2" "PE2R2_HUMAN" 8 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL495" "AGONIST" "Tclin" "Homo sapiens" +"alprostadil" 138 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P43115" "PTGER3" "PE2R3_HUMAN" 9 "EC50" "WOMBAT-PK" "=" "AGONIST" "Tclin" "Homo sapiens" +"alprostadil" 138 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P34995" "PTGER1" "PE2R1_HUMAN" 6.8 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL495" "AGONIST" "Tclin" "Homo sapiens" +"alprostadil" 138 "Prostaglandin D2 receptor" "GPCR" "Q13258" "PTGDR" "PD2R_HUMAN" 7.3 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"alprostadil" 138 "Prostacyclin receptor" "GPCR" "P43119" "PTGIR" "PI2R_HUMAN" 7.5 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"alprostadil" 138 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "Q62053" "Ptger2" "PE2R2_MOUSE" 7.66 "Ki" "Affinity for mouse Prostanoid EP2 receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL495" "Mus musculus" +"alprostadil" 138 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P35375" "Ptger1" "PE2R1_MOUSE" 8.22 "Ki" "Affinity for mouse Prostanoid EP1 receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL495" "Mus musculus" +"alprostadil" 138 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P30557" "Ptger3" "PE2R3_MOUSE" 8.3 "Ki" "Binding affinity towards mouse Prostanoid EP3 receptor in CHO cells." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL495" "Mus musculus" +"alprostadil" 138 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P32240" "Ptger4" "PE2R4_MOUSE" 8.51 "Ki" "Affinity for mouse Prostanoid EP4 receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL495" "Mus musculus" +"altretamine" 141 "DNA" "DNA" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/7763301" "OTHER" +"altretamine" 141 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 5.397940009 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"alvimopan" 143 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 9.3979 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL270190" "ANTAGONIST" "Tclin" "Homo sapiens" +"alvimopan" 143 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 7 "Ki" "Displacement of [3H]diprenorphine from human cloned kappa opioid receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL270190" "Tclin" "Homo sapiens" +"alvimopan" 143 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 7.92 "Ki" "Displacement of [3H]diprenorphine from human cloned delta opioid receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL270190" "Tclin" "Homo sapiens" +"amantadine" 144 "Matrix protein 2" "Unclassified" "Q20MD5" "M2" "Q20MD5_9INFA" 4.8 "IC50" "Inhibition of Influenza A virus (A/Udorn/72) wild type matrix protein 2 expressed in xenopus oocytes after 2 mins by two-electrode voltage clamp assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL660" "Influenza A virus (A/udorn/1972(H3N2))" +"amantadine" 144 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.69 "Ki" "Binding affinity towards sigma receptor in guinea pig brain membrane was determined by using [3H]DTG as the radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL660" "Tclin" "Homo sapiens" +"amantadine" 144 "Matrix protein 2" "Ion channel" "P63231" "M" "M2_I72A2" 4.8 "IC50" "Inhibition of wild type Influenza A virus (A/udorn/72(H3N2)) M2 channel expressed in Xenopus oocyte plasma membrane incubated for 2 mins measured over 48 to 72 hrs by two-electrode voltage clamp method" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL660" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL660" "INHIBITOR" "Influenza A virus (strain A/Udorn/307/1972 H3N2)" +"amantadine" 144 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 4.42 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL660" "Tchem" "Homo sapiens" +"amantadine" 144 "Glutamate [NMDA] receptor" "Ion channel" "O15399|O60391|Q05586|Q12879|Q13224|Q14957|Q8TCU5" "GRIN1|GRIN2A|GRIN2B|GRIN2C|GRIN2D|GRIN3A|GRIN3B" "NMD3A_HUMAN|NMD3B_HUMAN|NMDE1_HUMAN|NMDE2_HUMAN|NMDE3_HUMAN|NMDE4_HUMAN|NMDZ1_HUMAN" 4.98000001907349 "Ki" "The compound was tested for its ability to block PCP N-methyl-D-aspartate glutamate receptor at the PCP (phencyclidine) binding site in postmortem human frontal cortex." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL660" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL660" "BLOCKER" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"ambenonium" 146 "Acetylcholinesterase" "Enzyme" "P23795" "ACHE" "ACES_BOVIN" 9.92 "IC50" "Inhibition of bovine AChE by Ellman's method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1652" "Bos taurus" +"ambenonium" 146 "Acetylcholinesterase" "Enzyme" "P21836" "Ache" "ACES_MOUSE" 4.34 "Kd" "Binding affinity to mouse AChE by equilibrium binding assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1652" "Mus musculus" +"ambenonium" 146 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" "Mechanism of Action; CHEMBL220; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1652" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1652" "INHIBITOR" "Tclin" "Homo sapiens" +"ambroxol" 147 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.744245213 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ambroxol" 147 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.253833036 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ambroxol" 147 "Sodium channel protein type 10 subunit alpha" "Ion channel" "Q9Y5Y9" "SCN10A" "SCNAA_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"ambroxol" 147 "Glucosylceramidase" "Enzyme" "P04062" "GBA" "GLCM_HUMAN" 5.39 "IC50" "Inhibition of beta-glucocerebrosidase in human fibroblast lysate using 4-methylumbelliferyl beta-D-glycopyranoside as substrate by fluorimetric analysis" "CHEMBL" "=" 1 "IUPHAR" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL153479" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=10692" "Tclin" "Homo sapiens" +"amcinonide" 150 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action; CHEMBL2034; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200732" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200732" "AGONIST" "Tclin" "Homo sapiens" +"amidefrine" 155 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 4.72 "IC50" "50% inhibition of specific [3H]clonidine binding (0.4 nM) to Alpha-2 adrenergic receptors in rat isolated brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL146408" "Rattus norvegicus" +"amidefrine" 155 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 4.4 "IC50" "Binding affinity against alpha-1 adrenergic receptor is the ability to inhibit the specific [3H]prazosin binding (0.4 nM) to rat isolated brain membranes by 50% was reported." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL146408" "Rattus norvegicus" +"amifostine" 156 "reactive chemical species" "Reactive chemical species" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2008/020221s024lbl.pdf" "OTHER" +"amifostine" 156 "Alkaline phosphatase, tissue-nonspecific isozyme" "Enzyme" "P05186" "ALPL" "PPBT_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"amifostine" 156 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.1837587 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amikacin" 157 "Macrolide 2'-phosphotransferase II; Macrolide 2'-phosphotransferase II protein MphB; Macrolide 2-phosphotransferase, mph(B)" "Enzyme" "O32553" "mphB" "O32553_ECOLX" 4.2013 "Km" "WOMBAT-PK" "=" "Escherichia coli" +"amiloride" 158 "Sodium/hydrogen exchanger 5" "Unclassified" "Q14940" "SLC9A5" "SL9A5_HUMAN" 4.68 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2421" "INHIBITOR" "Homo sapiens" +"amiloride" 158 "Acid-sensing ion channel 2" "Ion channel" "Q16515" "ASIC2" "ASIC2_HUMAN" 4.6 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2421" "BLOCKER" "Tbio" "Homo sapiens" +"amiloride" 158 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 5.40793433 "IC50" "DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amiloride" 158 "Amiloride-sensitive sodium channel, ENaC" "Ion channel" "P37088|P51168|P51170" "SCNN1A|SCNN1B|SCNN1G" "SCNNA_HUMAN|SCNNB_HUMAN|SCNNG_HUMAN" 6.7 "IC50" "GRAC: human ENaC blocker" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL945" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL945" "BLOCKER" "Tclin|Tclin|Tclin" "Homo sapiens" +"amiloride" 158 "Amiloride-sensitive sodium channel subunit alpha" "Ion channel" "P37088" "SCNN1A" "SCNNA_HUMAN" 6.11 "IC50" "Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL945" "Tclin" "Homo sapiens" +"amiloride" 158 "Acid-sensing ion channel 1" "Ion channel" "P78348" "ASIC1" "ASIC1_HUMAN" 5 "IC50" "GRAC: human ASIC1 blocker" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL945" "Tchem" "Homo sapiens" +"amiloride" 158 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.24 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL945" "Tchem" "Homo sapiens" +"amiloride" 158 "Sodium/hydrogen exchanger" "Unclassified" "Q9W6Q1" "NHE1" "Q9W6Q1_9SALA" 4.01 "IC50" "Inhibition of Amphiuma tridactylum wild type NHE1 expressed in chinese hamster AP1 cells assessed as intracellular pHi recovery by ammonium chloride prepulse protocol" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL945" "Amphiuma tridactylum" +"amiloride" 158 "Membrane primary amine oxidase" "Enzyme" "O08590" "Aoc3" "AOC3_RAT" 5 "Ki" "Inhibitory activity against porcine kidney amine oxidase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL945" "Rattus norvegicus" +"amiloride" 158 "Acid-sensing ion channel 3" "Ion channel" "Q9UHC3" "ASIC3" "ASIC3_HUMAN" 5.36 "IC50" "Inhibition of ASIC3 assessed as inhibition of peak current by patch clamp electrophysiology" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL945" "Tchem" "Homo sapiens" +"amiloride" 158 "Sodium/hydrogen exchanger 1" "Transporter" "P19634" "SLC9A1" "SL9A1_HUMAN" 4.22 "IC50" "Inhibition of human wild type NHE1 expressed in chinese hamster AP1 cells assessed as intracellular pHi recovery by ammonium chloride prepulse protocol" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL945" "Tchem" "Homo sapiens" +"amiloride" 158 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 5.48 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amiloride" 158 "Urokinase-type plasminogen activator" "Enzyme" "P00749" "PLAU" "UROK_HUMAN" 5.16 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"amiloride" 158 "Sodium/hydrogen exchanger 1" "Transporter" "P26431" "Slc9a1" "SL9A1_RAT" 6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2421" "INHIBITOR" "Rattus norvegicus" +"aminoacridine" 160 "Trypanothione reductase" "Enzyme" "P28593" "TPR" "TYTR_TRYCR" 4.42 "Ki" "The competitive inhibitory activity against trypanothione reductase was evaluated from Lineweaver Burk plots" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL43184" "Trypanosoma cruzi" +"amineptine" 161 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 6 "IC50" "Inhibition of dopamine transporter-mediated [3H]dopamine uptake in Wistar rat striatal synaptosomes by liquid scintillation spectrometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL418995" "Rattus norvegicus" +"aminocaproic acid" 163 "Plasminogen" "Enzyme" "P00747" "PLG" "PLMN_HUMAN" 4.4 "IC50" "Binding affinity to full length Glu-plasminogen in human plasma assessed as inhibition of interaction with fibrin in presence of tPA" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1046" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1046" "INHIBITOR" "Tclin" "Homo sapiens" +"aminocaproic acid" 163 "Tissue-type plasminogen activator" "Enzyme" "P00750" "PLAT" "TPA_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00513" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1046" "INHIBITOR" "Tclin" "Homo sapiens" +"aminoglutethimide" 164 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 5.11 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL488" "INHIBITOR" "Tclin" "Homo sapiens" +"aminoglutethimide" 164 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 4.73 "IC50" "Inhibition of Thromboxane-A synthase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL488" "Tchem" "Homo sapiens" +"aminoglutethimide" 164 "Aromatase" "Enzyme" "P22443" "Cyp19a1" "CP19A_RAT" 6.59 "EC50" "In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL488" "Rattus norvegicus" +"aminoglutethimide" 164 "Cytochrome P450 11A1" "Unclassified" "P00189" "CYP11A1" "CP11A_BOVIN" 4.54 "IC50" "Inhibition of bovine adrenal desmolase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL488" "Bos taurus" +"aminoglutethimide" 164 "Cholesterol side-chain cleavage enzyme, mitochondrial" "Enzyme" "P05108" "CYP11A1" "CP11A_HUMAN" "Mechanism of Action; CHEMBL2033; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL488" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL488" "INHIBITOR" "Tclin" "Homo sapiens" +"aminohippuric acid" 165 "Solute carrier family 22 member 6" "Transporter" "Q8VC69" "Slc22a6" "S22A6_MOUSE" 5.03 "Ki" "Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL463" "Mus musculus" +"aminohippuric acid" 165 "Solute carrier family 22 member 6" "Transporter" "Q4U2R8" "SLC22A6" "S22A6_HUMAN" 5.22 "Ki" "Inhibition of human Oat1 expressed in Drosophila S2 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL463" "Tclin" "Homo sapiens" +"aminophenazone" 171 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"aminophenazone" 171 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"aminoquinuride" 174 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 4 "IC50" "Inhibition of human MMP-9 after 60 mins by FRET assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL87223" "Tchem" "Homo sapiens" +"aminoquinuride" 174 "Botulinum neurotoxin type A" "Enzyme" "P10845" "botA" "BXA1_CLOBO" 5.14 "IC50" "Inhibition of Clostridium bolulinum BoNT/A assessed as cleavage of MOCAc-Lys-Lys-Val-Tyr-Pro-Tyr-Pro-Met-Glu-Lys(Dnp)-NH2 after 40 mins by FRET assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL87223" "Clostridium botulinum" +"aminoquinuride" 174 "Interstitial collagenase" "Enzyme" "P03956" "MMP1" "MMP1_HUMAN" 4.51 "IC50" "Inhibition of human MMP-1 after 60 mins by FRET assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL87223" "Tclin" "Homo sapiens" +"aminoquinuride" 174 "Lethal factor" "Enzyme" "P15917" "lef" "LEF_BACAN" 6.3 "Ki" "Competitive inhibition of Bacillus anthracis lethal factor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL87223" "Bacillus anthracis" +"amiodarone" 176 "Sodium channel protein type 5 subunit alpha" "Unclassified" "P15389" "Scn5a" "SCN5A_RAT" 5.7 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2566" "BLOCKER" "Rattus norvegicus" +"amiodarone" 176 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.111932887 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.339988779 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.177113052 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.912218582 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.647431614 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.988852639 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.231361899 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.673664139 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.044504671 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"amiodarone" 176 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.230179742 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.387216143 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 4.983844488 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.201349355 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.743282254 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.168130226 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.295849483 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.967784297 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 4.498105832 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.701146924 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.003575896 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"amiodarone" 176 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.206698646 "Ki" "DRUGMATRIX: Dopamine D4.2 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"amiodarone" 176 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.175743962 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.548981548 "Ki" "DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "Endothelin-1 receptor" "GPCR" "P25101" "EDNRA" "EDNRA_HUMAN" 4.791102015 "Ki" "DRUGMATRIX: Endothelin ETA radioligand binding (ligand: [125I] Endothelin-1)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 6.087777943 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.038673844 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "C-C chemokine receptor type 2" "GPCR" "P41597" "CCR2" "CCR2_HUMAN" 5.368049174 "Ki" "DRUGMATRIX: Chemokine CCR2B radioligand binding (ligand: [125I] MCP-1)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"amiodarone" 176 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.191249028 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"amiodarone" 176 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 4.550290244 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"amiodarone" 176 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 4.407079692 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"amiodarone" 176 "B2 bradykinin receptor" "GPCR" "P30411" "BDKRB2" "BKRB2_HUMAN" 5.114978205 "Ki" "DRUGMATRIX: Bradykinin B2 radioligand binding (ligand: [3H] Bradykinin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "Melanocortin receptor 4" "GPCR" "P32245" "MC4R" "MC4R_HUMAN" 4.878571482 "Ki" "DRUGMATRIX: Melanocortin MC4 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "Melanocortin receptor 5" "GPCR" "P33032" "MC5R" "MC5R_HUMAN" 5.050171041 "Ki" "DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"amiodarone" 176 "Melanocortin receptor 3" "GPCR" "P41968" "MC3R" "MC3R_HUMAN" 4.966696899 "Ki" "DRUGMATRIX: Melanocortin MC3 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"amiodarone" 176 "C-C chemokine receptor type 4" "GPCR" "P51679" "CCR4" "CCR4_HUMAN" 4.94290471 "Ki" "DRUGMATRIX: Chemokine CCR4 radioligand binding (ligand: [125I] TARC)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.931814138 "IC50" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"amiodarone" 176 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL633" "BLOCKER" "Tclin" "Homo sapiens" +"amiodarone" 176 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.3 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" 7.1 "IC50" "WOMBAT-PK" "=" "BLOCKER" "Tclin" "Homo sapiens" +"amiodarone" 176 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "Thyroid hormone receptor beta" "Nuclear hormone receptor" "P10828" "THRB" "THB_HUMAN" 6.22 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "Thyroid hormone receptor alpha" "Nuclear hormone receptor" "P10827" "THRA" "THA_HUMAN" 5.64 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase" "Enzyme" "Q15125" "EBP" "EBP_HUMAN" 7.6 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"amiodarone" 176 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6.22 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "Potassium voltage-gated channel subfamily A member 7" "Ion channel" "Q96RP8" "KCNA7" "KCNA7_HUMAN" 6 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.3 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"amiodarone" 176 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 4.7 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4" "Ion channel" "Q9Y3Q4" "HCN4" "HCN4_HUMAN" 5.3468 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 5.284 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amiodarone" 176 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 7.3979 "EC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"amiodarone" 176 "THAP domain-containing protein 1" "Unclassified" "Q9NVV9" "THAP1" "THAP1_HUMAN" 6.19 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"amiodarone" 176 "Cruzipain" "Enzyme" "P25779" "CYSP_TRYCR" 5.4 "IC50" "Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in absence of Triton X-100" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL633" "Trypanosoma cruzi" +"amiodarone" 176 "Lethal factor" "Enzyme" "P15917" "lef" "LEF_BACAN" 5.46 "IC50" "Protection against Bacillus anthracis lethal toxin-mediated cytotoxicity in mouse RAW264.7 cells assessed as change in viability after 24 hrs by WST1 dye reduction assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL633" "Bacillus anthracis" +"amiodarone" 176 "C-8 sterol isomerase" "Enzyme" "P32352" "ERG2" "ERG2_YEAST" 7.21 "Ki" "Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL633" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"amiodarone" 176 "Squalene monooxygenase" "Enzyme" "Q14534" "SQLE" "ERG1_HUMAN" 4.92 "IC50" "Inhibitory activity against Trypanosoma cruzi microsomal squalene synthase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL633" "Tchem" "Homo sapiens" +"amiodarone" 176 "Squalene synthase" "Enzyme" "P37268" "FDFT1" "FDFT_HUMAN" 5.1 "IC50" "Inhibitory activity against Trypanosoma cruzi glycosomal squalene synthase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL633" "Tchem" "Homo sapiens" +"amisulpride" 179 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 7.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=963" "ANTAGONIST" "Rattus norvegicus" +"amisulpride" 179 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.4946 "Ki" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/11740949" "ANTAGONIST" "Tclin" "Homo sapiens" +"amisulpride" 179 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.5528 "Ki" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/11740949" "ANTAGONIST" "Tclin" "Homo sapiens" +"amisulpride" 179 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 7.93930216 "Ki" "PDSP" "Tclin" "Homo sapiens" +"amisulpride" 179 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.886056648 "Ki" "PDSP" "Tclin" "Homo sapiens" +"amisulpride" 179 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.953114809 "Ki" "PDSP" "Tclin" "Homo sapiens" +"amisulpride" 179 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 5.872571222 "Ki" "PDSP" "Tclin" "Homo sapiens" +"amisulpride" 179 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 5.812479279 "Ki" "PDSP" "Tclin" "Homo sapiens" +"amisulpride" 179 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 5.758453519 "Ki" "PDSP" "Tclin" "Homo sapiens" +"amisulpride" 179 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.625434939 "Ki" "PDSP" "Tchem" "Homo sapiens" +"amisulpride" 179 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.381533508 "Ki" "PDSP" "Tchem" "Homo sapiens" +"amisulpride" 179 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.080712659 "Ki" "PDSP" "Tclin" "Homo sapiens" +"amitriptyline" 180 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 7.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=200" "ANTAGONIST" "Rattus norvegicus" +"amitriptyline" 180 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=200" "ANTAGONIST" "Rattus norvegicus" +"amitriptyline" 180 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 8.1 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=200" "ANTAGONIST" "Rattus norvegicus" +"amitriptyline" 180 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 8.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=200" "ANTAGONIST" "Rattus norvegicus" +"amitriptyline" 180 "5-hydroxytryptamine receptor 7" "GPCR" "P32304" "Htr7" "5HT7R_MOUSE" 6.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=200" "ANTAGONIST" "Mus musculus" +"amitriptyline" 180 "G protein-activated inward rectifier potassium channel 2" "Ion channel" "P48542" "Kcnj6" "KCNJ6_MOUSE" 4 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=200" "BLOCKER" "Mus musculus" +"amitriptyline" 180 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.879426069 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amitriptyline" 180 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 8.065501549 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amitriptyline" 180 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.251811973 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amitriptyline" 180 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.37675071 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"amitriptyline" 180 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.770830297 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"amitriptyline" 180 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 5.07 "IC50" "In vitro inhibition of [14C]5-HT transporter uptake by rat brain slices" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL629" "Rattus norvegicus" +"amitriptyline" 180 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" 5.8 "IC50" "Inhibition of human NaV1.5 alpha subunit expressed in CHOK1 cells at -90 mV holding potential by patch clamp electrophysiological assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL629" "Tclin" "Homo sapiens" +"amitriptyline" 180 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 10.7 "IC50" "Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL629" "Rattus norvegicus" +"amitriptyline" 180 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.21 "Ki" "Inhibition of [3H]dopamine uptake at human DAT expressed in HEK293 cells preincubated for 10 mins prior to substrate addition measured after 4 mins by FLIPR assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL629" "Tclin" "Homo sapiens" +"amitriptyline" 180 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.77 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL629" "Tchem" "Homo sapiens" +"amitriptyline" 180 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 5.6 "IC50" "Inhibition of the NE [3H]norepinephrine uptake by rat brain slices In vitro" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL629" "Rattus norvegicus" +"amitriptyline" 180 "Sodium channel protein type 9 subunit alpha" "Ion channel" "Q15858" "SCN9A" "SCN9A_HUMAN" 6 "IC50" "Inhibition of recombinant human NaV1.7 alpha subunit expressed in HEK293 cells at -65 mV holding potential by patch clamp electrophysiological assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL629" "Tclin" "Homo sapiens" +"amitriptyline" 180 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm2|Chrm3|Chrm4|Chrm5" "ACM1_RAT|ACM2_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT" 6.52 "IC50" "Inhibition of radioligand [3H]QNB binding to muscarinic acetylcholine receptor in the rat forebrain in the presence of zinc" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL629" "Rattus norvegicus" +"amitriptyline" 180 "Sodium channel protein type 2 subunit alpha" "Ion channel" "Q99250" "SCN2A" "SCN2A_HUMAN" 5.51 "IC50" "Inhibition of human NaV1.2 alpha subunit expressed in CHOK1 cells at -65 mV holding potential by patch clamp electrophysiological assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL629" "Tclin" "Homo sapiens" +"amitriptyline" 180 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 10.7 "IC50" "Compound tested for its inhibitory activity against Histamine H1 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL629" "Rattus norvegicus" +"amitriptyline" 180 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.1 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amitriptyline" 180 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.96 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amitriptyline" 180 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.4559 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL629" "INHIBITOR" "Tclin" "Homo sapiens" +"amitriptyline" 180 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 8.3665 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL629" "INHIBITOR" "Tclin" "Homo sapiens" +"amitriptyline" 180 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.8539 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"amitriptyline" 180 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 8.14 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"amitriptyline" 180 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 8 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amitriptyline" 180 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.9 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amitriptyline" 180 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.05 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"amitriptyline" 180 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.4 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amitriptyline" 180 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.0506 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amitriptyline" 180 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.25 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amitriptyline" 180 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 6.585 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"amitriptyline" 180 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.8 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amitriptyline" 180 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.14 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amitriptyline" 180 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.89 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amitriptyline" 180 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 8.1 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amitriptyline" 180 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.83 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"amitriptyline" 180 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.8 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amitriptyline" 180 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 9.3 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"amitriptyline" 180 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 6.7696 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"amitriptyline" 180 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.6861 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amitriptyline" 180 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 6.4 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amitriptyline" 180 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.7212 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amitriptyline" 180 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.7077 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amitriptyline" 180 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amitriptyline" 180 "High affinity nerve growth factor receptor" "Kinase" "P04629" "NTRK1" "NTRK1_HUMAN" 4.21999979019165 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL629" "Tclin" "Homo sapiens" +"amitriptyline" 180 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 6 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL629" "Tclin" "Homo sapiens" +"amitriptyline" 180 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.7 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL629" "Rattus norvegicus" +"amitriptylinoxide" 181 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 5 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL627" "Tclin" "Homo sapiens" +"amlexanox" 182 "Phosphodiesterase 4" "Enzyme" "P27815|Q07343|Q08493|Q08499" "PDE4A|PDE4B|PDE4C|PDE4D" "PDE4A_HUMAN|PDE4B_HUMAN|PDE4C_HUMAN|PDE4D_HUMAN" "Mechanism of Action; CHEMBL2093863; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1096" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1096" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"amlexanox" 182 "Inhibitor of nuclear factor kappa-B kinase subunit epsilon" "Kinase" "Q14164" "IKBKE" "IKKE_HUMAN" 6 "IC50" "Inhibition of substrate phosphorylation." "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7113" "INHIBITOR" "Tchem" "Homo sapiens" +"amlexanox" 182 "Serine/threonine-protein kinase TBK1" "Kinase" "Q9UHD2" "TBK1" "TBK1_HUMAN" 6 "IC50" "Inhibition of substrate phosphorylation." "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7113" "INHIBITOR" "Tchem" "Homo sapiens" +"amlodipine" 183 "Voltage-dependent L-type calcium channel subunit alpha-1D" "Ion channel" "Q01668" "CACNA1D" "CAC1D_HUMAN" 7 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1491" "BLOCKER" "Tclin" "Homo sapiens" +"amlodipine" 183 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1491" "BLOCKER" "Tclin" "Homo sapiens" +"amlodipine" 183 "Voltage-dependent calcium channel gamma-1 subunit" "Ion channel" "Q06432" "CACNG1" "CCG1_HUMAN" 7.2 "Ki" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"amlodipine" 183 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.645891561 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amlodipine" 183 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.87095494 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"amlodipine" 183 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.583359493 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amlodipine" 183 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.357832366 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amlodipine" 183 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"amlodipine" 183 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 5.2596 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"amlodipine" 183 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 4.50724 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amlodipine" 183 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.27 "Ki" "Binding affinity against human Alpha-1d adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1491" "Tclin" "Homo sapiens" +"amlodipine" 183 "Potassium channel subfamily K member 2" "Ion channel" "O95069" "KCNK2" "KCNK2_HUMAN" 6.4 "IC50" "Inhibition of TREK-1 (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1491" "Tclin" "Homo sapiens" +"amlodipine" 183 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 5.63 "Ki" "Binding affinity against human Alpha-1a adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1491" "Tclin" "Homo sapiens" +"amlodipine" 183 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 5.1 "Ki" "Binding affinity against human Alpha-1b adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1491" "Tclin" "Homo sapiens" +"amlodipine" 183 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "P22002" "Cacna1c" "CAC1C_RAT" 8.7 "Ki" "Binding affinity against rat L-type calcium channel" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1491" "Rattus norvegicus" +"amlodipine" 183 "Voltage-dependent calcium channel subunit alpha-2/delta-1" "Ion channel" "P54289" "CACNA2D1" "CA2D1_HUMAN" 7.2 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amodiaquine" 186 "Heparanase" "Enzyme" "Q9Y251" "HPSE" "HPSE_HUMAN" 4.28 "Kd" "Binding affinity to recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL682" "Tchem" "Homo sapiens" +"amodiaquine" 186 "Histamine N-methyltransferase" "Enzyme" "P50135" "HNMT" "HNMT_HUMAN" 7.72 "Ki" "Inhibition of histamine N-methyltransferase by radiochemical assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL682" "Tchem" "Homo sapiens" +"amodiaquine" 186 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.62 "IC50" "Inhibition of human cloned ERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL682" "Tclin" "Homo sapiens" +"amoxapine" 191 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 8.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=201" "ANTAGONIST" "Rattus norvegicus" +"amoxapine" 191 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 8.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=201" "ANTAGONIST" "Rattus norvegicus" +"amoxapine" 191 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=201" "ANTAGONIST" "Rattus norvegicus" +"amoxapine" 191 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 7.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=201" "ANTAGONIST" "Rattus norvegicus" +"amoxapine" 191 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.73362302780151 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"amoxapine" 191 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.79587984085083 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"amoxapine" 191 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=201" "ANTAGONIST" "Tchem" "Homo sapiens" +"amoxapine" 191 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.707743929 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amoxapine" 191 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.307153081 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amoxapine" 191 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.468521083 "IC50" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1113" "INHIBITOR" "Tclin" "Homo sapiens" +"amoxapine" 191 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.886056648 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1113" "INHIBITOR" "Tclin" "Homo sapiens" +"amoxapine" 191 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.18243463 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amoxapine" 191 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.59345982 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amoxapine" 191 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.958607315 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amoxapine" 191 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.542118103 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amoxapine" 191 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.030118356 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amoxapine" 191 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.4225082 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amoxapine" 191 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.616184634 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amoxapine" 191 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.211124884 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amoxapine" 191 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.336299075 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amoxapine" 191 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amoxapine" 191 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.841637508 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amoxapine" 191 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 6.57024772 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT3 radioligand binding (ligand: [3H] GR-65630)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amoxapine" 191 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.22184875 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"amoxapine" 191 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.66 "Ki" "Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in CHO cells after 60 mins by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1113" "Tclin" "Homo sapiens" +"amoxapine" 191 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.47 "Ki" "Displacement of [3H]-YM09151-2 from human cloned dopamine D4 receptor expressed in insect Sf9 cells after 60 mins by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1113" "ANTAGONIST" "Tchem" "Homo sapiens" +"amoxapine" 191 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.75 "Ki" "Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1113" "Tclin" "Homo sapiens" +"amoxapine" 191 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 6.3 "Ki" "Binding affinity towards human 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1113" "Tclin" "Homo sapiens" +"amoxapine" 191 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.3655 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amoxapine" 191 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" "Tclin|Tclin|Tclin" "Homo sapiens" +"amoxapine" 191 "Sodium- and chloride-dependent glycine transporter 2" "Transporter" "Q9Y345" "SLC6A5" "SC6A5_HUMAN" 4.0362 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"amoxapine" 191 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"amoxapine" 191 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 6.45 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1113" "Rattus norvegicus" +"amoxicillin" 192 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" +"amoxicillin" 192 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.22 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amoxicillin" 192 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.8 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amoxicillin" 192 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.96 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amoxicillin" 192 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1082" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1082" "INHIBITOR" "Escherichia coli (strain K12)" +"amperozide" 193 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.79587984085083 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"amperozide" 193 "Fatty-acid amide hydrolase 1" "Enzyme" "O00519" "FAAH" "FAAH1_HUMAN" 6.34 "IC50" "Inhibition of human FAAH-mediated hydrolysis of [3H]AEA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1079935" "Tchem" "Homo sapiens" +"amfetamine" 195 "Trace amine-associated receptor 1" "GPCR" "Q96RJ0" "TAAR1" "TAAR1_HUMAN" 6.22184896469116 "EC50" "(S) enantiomer activation of hTAAR1 in RD-HGA16 cells" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/22037049" "AGONIST" "Tclin" "Homo sapiens" +"amfetamine" 195 "Serotonin 1 (5-HT1) receptor" "GPCR" "P19327|P28564|P28565|P30940" "Htr1a|Htr1b|Htr1d|Htr1f" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT" 5.12 "Ki" "Evaluated for binding affinity towards rat cortical membranes at 5-hydroxytryptamine 1 receptor binding site by using [3H]-5-HT as a radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL405" "Rattus norvegicus" +"amfetamine" 195 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 6.02 "IC50" "Inhibition of [3H]dopamine uptake at dopamine transporter expressed in rat striatal homogenate after 5 mins by scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL405" "Rattus norvegicus" +"amfetamine" 195 "Sodium-dependent serotonin transporter" "Transporter" "Q60857" "Slc6a4" "SC6A4_MOUSE" 4.35 "IC50" "Inhibition of 5-HT transporter in NMRI albino mouse brain assessed as [3H]5-HT accumulation in hypothalamus after 5 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL405" "Mus musculus" +"amfetamine" 195 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 6.7 "IC50" "Inhibition of [3H]norepinephrine uptake at NET expressed in rat hypothalamic homogenate containing synaptosomes after 5 mins by scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL405" "Rattus norvegicus" +"amfetamine" 195 "5-hydroxytryptamine receptor 2B" "GPCR" "P30994" "Htr2b" "5HT2B_RAT" 5.27 "Kd" "Affinity against serotonergic receptor in the isolated rat stomach fundus" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL405" "Rattus norvegicus" +"amfetamine" 195 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2a|Htr2b|Htr2c" "5HT2A_RAT|5HT2B_RAT|5HT2C_RAT" 4.37 "Ki" "Binding affinity to rat cortical membranes at 5-hydroxytryptamine 2 (5-HT2) receptor using [3H]KET as a radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL405" "Rattus norvegicus" +"amfetamine" 195 "Serotonin (5-HT) receptor" "GPCR" "P08909|P14842|P19327|P28564|P28565|P30940|P30994|P31388|P32305|P35364|P35365|P35563|Q62758|Q9JJ16" "Htr1a|Htr1b|Htr1d|Htr1f|Htr2a|Htr2b|Htr2c|Htr3a|Htr3b|Htr4|Htr5a|Htr5b|Htr6|Htr7" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT|5HT2A_RAT|5HT2B_RAT|5HT2C_RAT|5HT3A_RAT|5HT3B_RAT|5HT4R_RAT|5HT5A_RAT|5HT5B_RAT|5HT6R_RAT|5HT7R_RAT" 5.27 "Kd" "Affinity against 5-hydroxytryptamine receptors in rat fundus model" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL405" "Rattus norvegicus" +"amfetamine" 195 "Amine oxidase [flavin-containing] A" "Enzyme" "P21396" "Maoa" "AOFA_RAT" 4.91 "Ki" "Inhibition of MAOA in rat brain mitochondria" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL405" "Rattus norvegicus" +"amfetamine" 195 "Sodium-dependent noradrenaline transporter" "Transporter" "O55192" "Slc6a2" "SC6A2_MOUSE" 6 "IC50" "Inhibition of noradrenaline transporter in NMRI albino mouse brain assessed as [3H]NA accumulation in hypothalamus after 5 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL405" "Mus musculus" +"amfetamine" 195 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" "Mechanism of Action; CHEMBL222; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL405" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL405" "RELEASING AGENT" "Tclin" "Homo sapiens" +"amfetamine" 195 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.93554210662842 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL405" "RELEASING AGENT" "Tclin" "Homo sapiens" +"amfetamine" 195 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.75325536727905 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"amfetamine" 195 "Cocaine- and amphetamine-regulated transcript protein" "Transcription factor" "Q16568" "CARTPT" "CART_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"amfetamine" 195 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"amfetamine" 195 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"amphotericin B" 197 "Ergosterol" "Metabolite" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2012/050740s021lbl.pdf" "SEQUESTERING AGENT" +"ampicillin" 198 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" +"ampicillin" 198 "Transient receptor potential cation channel subfamily M member 4" "Ion channel" "Q8TD43" "TRPM4" "TRPM4_HUMAN" 4.72 "IC50" "GRAC: human TRPM4 blocker" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL174" "Tchem" "Homo sapiens" +"ampicillin" 198 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 4.09 "Kd" "Binding affinity to human recombinant Tie2 by SPR assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL174" "Tclin" "Homo sapiens" +"ampicillin" 198 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL174" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL174" "INHIBITOR" "Escherichia coli (strain K12)" +"amprenavir" 200 "Gag-Pol polyprotein" "Polyprotein" "P03367" "gag-pol" "POL_HV1BR" "WOMBAT-PK" "Human immunodeficiency virus type 1 group M subtype B (isolate BRU/LAI)" +"amprenavir" 200 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"amprenavir" 200 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.172178572 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"amprenavir" 200 "Pol polyprotein" "Enzyme" "Q72874" "pol" "Q72874_9HIV1" 10.4 "Ki" "Inhibition of HIV protease" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL116" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL116" "INHIBITOR" "Human immunodeficiency virus 1" +"amprenavir" 200 "Cathepsin D" "Enzyme" "P07339" "CTSD" "CATD_HUMAN" 4.82 "IC50" "Inhibition of human cathepsin D" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL116" "Tchem" "Homo sapiens" +"amprenavir" 200 "Protease" "Enzyme" "Q9YQ12" "protease" "Q9YQ12_9HIV1" 10.44 "Ki" "Inhibition of HIV1 protease" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL116" "Human immunodeficiency virus 1" +"amrinone" 201 "cGMP-inhibited 3',5'-cyclic phosphodiesterase A" "Enzyme" "Q14432" "PDE3A" "PDE3A_HUMAN" 4.78 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12856" "INHIBITOR" "Tclin" "Homo sapiens" +"amrinone" 201 "Phosphodiesterase 4" "Enzyme" "P27815|Q07343|Q08493|Q08499" "PDE4A|PDE4B|PDE4C|PDE4D" "PDE4A_HUMAN|PDE4B_HUMAN|PDE4C_HUMAN|PDE4D_HUMAN" 4.39 "IC50" "Inhibition of canine heart Phosphodiesterase 4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12856" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"amrinone" 201 "cGMP-inhibited 3',5'-cyclic phosphodiesterase B" "Enzyme" "Q13370" "PDE3B" "PDE3B_HUMAN" 4.51 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7202" "INHIBITOR" "Tclin" "Homo sapiens" +"amsacrine" 203 "DNA topoisomerase I, mitochondrial" "Enzyme" "Q969P6" "TOP1MT" "TOP1M_HUMAN" 7.43 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amsacrine" 203 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 5.3 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL43" "Tchem" "Homo sapiens" +"amsacrine" 203 "DNA topoisomerase 2-alpha" "Enzyme" "P11388" "TOP2A" "TOP2A_HUMAN" 5 "IC50" "Inhibition of human DNA topoisomerase 2-mediated Crithidia fasciculata kDNA decatenation using ethidium bromide staining by agarose gel electrophoresis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL43" "Tclin" "Homo sapiens" +"amsacrine" 203 "DNA topoisomerase 2-beta" "Enzyme" "Q02880" "TOP2B" "TOP2B_HUMAN" 4.96 "EC50" "Inhibition of calf thymus DNA/ethidium bromide complex formation." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL43" "Tchem" "Homo sapiens" +"amsacrine" 203 "DNA topoisomerase II" "Enzyme" "P11388|Q02880" "TOP2A|TOP2B" "TOP2A_HUMAN|TOP2B_HUMAN" 6.14 "EC50" "Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleavage assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL43" "Tchem|Tclin" "Homo sapiens" +"amsacrine" 203 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.68 "IC50" "Inhibition of human ERG potassium channel" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL43" "Tclin" "Homo sapiens" +"amsacrine" 203 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.12 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"amsacrine" 203 "DNA topoisomerase 1" "Enzyme" "P11387" "TOP1" "TOP1_HUMAN" 7.43 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"anagrelide" 209 "cGMP-inhibited 3',5'-cyclic phosphodiesterase A" "Enzyme" "Q14432" "PDE3A" "PDE3A_HUMAN" 7.27 "IC50" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7114" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL760" "INHIBITOR" "Tclin" "Homo sapiens" +"anagrelide" 209 "cGMP-dependent 3',5'-cyclic phosphodiesterase" "Enzyme" "O00408" "PDE2A" "PDE2A_HUMAN" 4.47 "IC50" "Inhibition of human platelet PDE by inhibiting cyclic Guanosine monophosphate (cGMP) hydrolysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL760" "Tclin" "Homo sapiens" +"anastrozole" 210 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 6.2218 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1399" "INHIBITOR" "Tclin" "Homo sapiens" +"androisoxazole" 213 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"androstenediol" 214 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 6.74 "IC50" "Binding affinity at human recombinant ERalpha" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL440283" "Tclin" "Homo sapiens" +"androstenediol" 214 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 9.17 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL440283" "Tchem" "Homo sapiens" +"androstenediol" 214 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 8 "IC50" "Binding affinity at human recombinant ERbeta" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL440283" "Tclin" "Homo sapiens" +"androstenediol" 214 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.86 "IC50" "Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL440283" "Rattus norvegicus" +"androstenediol" 214 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 6.64 "IC50" "Binding affinity at AR" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL440283" "Tclin" "Homo sapiens" +"androstenediol" 214 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 5 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL440283" "Tbio" "Homo sapiens" +"androstenedione" 215 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 7.7 "Ki" "Binding affinity for aromatase cytochrome P45019A1 by analysis of Dixon plot" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL274826" "Tclin" "Homo sapiens" +"androstenedione" 215 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 7.46 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL274826" "Tchem" "Homo sapiens" +"androstenedione" 215 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.89 "IC50" "Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL274826" "Rattus norvegicus" +"androstenedione" 215 "Testosterone 17-beta-dehydrogenase 3" "Enzyme" "P37058" "HSD17B3" "DHB3_HUMAN" 6.31 "IC50" "Ability to inhibit the Type-3 17-beta- hydroxysteroid dehydrogenase activity transfected in human embryonic kidney (HEK)-293 cells experiment 3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL274826" "Tchem" "Homo sapiens" +"androstenedione" 215 "Testosterone 17-beta-dehydrogenase 3" "Unclassified" "O54939" "Hsd17b3" "DHB3_RAT" 6.77 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL274826" "Rattus norvegicus" +"androstenedione" 215 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 5.76 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL274826" "Tbio" "Homo sapiens" +"anecortave" 217 "Plasminogen activator inhibitor 1" "Secreted" "P05121" "SERPINE1" "PAI1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"anhydrovinblastine" 219 "Tubulin beta-4B chain" "Structural" "P68371" "TUBB4B" "TBB4B_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"anhydrovinblastine" 219 "Multidrug resistance-associated protein 7" "Transporter" "Q5T3U5" "ABCC10" "MRP7_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"anhydrovinblastine" 219 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"anhydrovinblastine" 219 "Canalicular multispecific organic anion transporter 1" "Transporter" "Q92887" "ABCC2" "MRP2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"anhydrovinblastine" 219 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"anileridine" 220 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200543" "AGONIST" "Tclin" "Homo sapiens" +"anisindione" 222 "Vitamin K-dependent gamma-carboxylase" "Enzyme" "P38435" "GGCX" "VKGC_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB01125" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL712" "INHIBITOR" "Tclin" "Homo sapiens" +"anisindione" 222 "Arachidonate 5-lipoxygenase" "Enzyme" "P12527" "Alox5" "LOX5_RAT" 5.04 "IC50" "In vitro inhibition of 5-lipoxygenase activity in RBL-1 cells." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL712" "Rattus norvegicus" +"octatropine methylbromide" 223 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00517" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1578" "ANTAGONIST" "Tclin" "Homo sapiens" +"octatropine methylbromide" 223 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00517" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1578" "ANTAGONIST" "Tclin" "Homo sapiens" +"antazoline" 224 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "Mechanism of Action; CHEMBL231; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1305" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1305" "ANTAGONIST" "Tclin" "Homo sapiens" +"dithranol" 226 "5-lipoxygenase" "Enzyme" "Q9BEG3" "Q9BEG3_BOVIN" 4.43 "IC50" "Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL)." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46469" "Bos taurus" +"dithranol" 226 "Arachidonate 12-lipoxygenase, 12R-type" "Enzyme" "O75342" "ALOX12B" "LX12B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"apomorphine" 228 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.1871 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"apomorphine" 228 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 7.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=33" "AGONIST" "Tchem" "Homo sapiens" +"apomorphine" 228 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=33" "ANTAGONIST" "Tclin" "Homo sapiens" +"apomorphine" 228 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=33" "ANTAGONIST" "Tclin" "Homo sapiens" +"apomorphine" 228 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=33" "ANTAGONIST" "Tclin" "Homo sapiens" +"apomorphine" 228 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=33" "AGONIST" "Tclin" "Homo sapiens" +"apomorphine" 228 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=33" "ANTAGONIST" "Tclin" "Homo sapiens" +"apomorphine" 228 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=33" "ANTAGONIST" "Tclin" "Homo sapiens" +"apomorphine" 228 "D(1A) dopamine receptor" "GPCR" "Q61616" "Drd1" "DRD1_MOUSE" 7 "Ki" "Displacement of [3H]SCH23390 from dopamine D1 receptor in mouse Ltk- fibroblast cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53" "Mus musculus" +"apomorphine" 228 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.59 "Ki" "Displacement of [3H]domperidone from human cloned dopamine D3 receptor expressed in mouse CCL1-3 cells by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53" "AGONIST" "Tclin" "Homo sapiens" +"apomorphine" 228 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd2|Drd3|Drd4|Drd5" "DRD1_RAT|DRD2_RAT|DRD3_RAT|DRD4_RAT|DRD5_RAT" 9 "IC50" "Inhibition of [3H]apomorphine binding to calf caudate membrane preparation (p4)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53" "Rattus norvegicus" +"apomorphine" 228 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.21 "Ki" "Displacement of [3H]spiperone from human dopamine D2 receptor at high affinity state expressed in HEK293 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53" "AGONIST" "Tclin" "Homo sapiens" +"apomorphine" 228 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 7.2 "IC50" "Alpha-2 adrenergic receptor activity assessed in vitro for displacement of [3H]clonidine from specific binding sites on rat striatal membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53" "Rattus norvegicus" +"apomorphine" 228 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.53 "Ki" "Ability to displace [3H]8-OH-DPAT binding to rat hippocampal 5-hydroxytryptamine 1A receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53" "Rattus norvegicus" +"apomorphine" 228 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 7.28 "Ki" "Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53" "Rattus norvegicus" +"apomorphine" 228 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 8.74 "Ki" "Displacement of [3H]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53" "Rattus norvegicus" +"apomorphine" 228 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.68 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53" "Tchem" "Homo sapiens" +"apomorphine" 228 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 8.34 "Ki" "Binding affinity to dopamine D1 receptor high binding site by radioligand displacement assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53" "Tclin" "Homo sapiens" +"apomorphine" 228 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.05 "Ki" "Displacement of [3H]A369508 from human D4 receptor expressed in HEK293 cell membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53" "AGONIST" "Tchem" "Homo sapiens" +"apomorphine" 228 "Dopamine receptor" "GPCR" "P20288|Q95136" "DRD1|DRD2" "DRD1_BOVIN|DRD2_BOVIN" 9 "IC50" "Tested for binding to dopamine receptor using [3H]apomorphine as radioligand in calf caudate nucleus homogenates." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53" "Bos taurus" +"apomorphine" 228 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 6.73 "Ki" "Binding affinity against Rat 5-hydroxytryptamine 7 receptor using [3H]5-HT" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53" "Rattus norvegicus" +"apomorphine" 228 "D(4) dopamine receptor" "GPCR" "P30729" "Drd4" "DRD4_RAT" 8.82 "EC50" "In vitro effective concentration tested on HEK293 cells co-transfected with ferret Dopamine receptor D4 using FLIPR assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53" "Rattus norvegicus" +"apomorphine" 228 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.53 "Ki" "Binding affinity was measured on cloned Human 5-hydroxytryptamine 1A receptor which is labeled by [3H]8-OH-DPAT" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53" "Tclin" "Homo sapiens" +"apomorphine" 228 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 5.11 "IC50" "In vitro inhibitory activity against alpha-1 adrenergic receptor from whole rat brain using [3H]WB-4101 as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53" "Rattus norvegicus" +"apomorphine" 228 "D(2) dopamine receptor" "GPCR" "P20288" "DRD2" "DRD2_BOVIN" 6.7 "Ki" "Compound was tested for inhibition of [3H]spiroperidol binding against Dopamine receptor D2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53" "Bos taurus" +"apomorphine" 228 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 7.44 "Ki" "Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in SF9 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53" "Rattus norvegicus" +"apomorphine" 228 "Serotonin (5-HT) receptor" "GPCR" "P08909|P14842|P19327|P28564|P28565|P30940|P30994|P31388|P32305|P35364|P35365|P35563|Q62758|Q9JJ16" "Htr1a|Htr1b|Htr1d|Htr1f|Htr2a|Htr2b|Htr2c|Htr3a|Htr3b|Htr4|Htr5a|Htr5b|Htr6|Htr7" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT|5HT2A_RAT|5HT2B_RAT|5HT2C_RAT|5HT3A_RAT|5HT3B_RAT|5HT4R_RAT|5HT5A_RAT|5HT5B_RAT|5HT6R_RAT|5HT7R_RAT" 5.35 "IC50" "In vitro inhibitory activity against serotonin receptor from rat frontal cortex using [3H]spiperone as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53" "Rattus norvegicus" +"apomorphine" 228 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprk1|Oprm1|Sigmar1" "OPRD_RAT|OPRK_RAT|OPRM_RAT|SGMR1_RAT" 6.52 "IC50" "Ability to inhibit the specific binding of [3H]- dihydromorphine to opiate receptors in rat brain membrane preparation by 50%" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53" "Rattus norvegicus" +"apomorphine" 228 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 6.17 "Ki" "PDSP" "Tclin" "Homo sapiens" +"apomorphine" 228 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 5.91 "Ki" "PDSP" "Tclin" "Homo sapiens" +"apomorphine" 228 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 5.7 "Ki" "PDSP" "Tclin" "Homo sapiens" +"apomorphine" 228 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 5.53 "Ki" "PDSP" "Tclin" "Homo sapiens" +"apomorphine" 228 "Transient receptor potential cation channel subfamily A member 1" "Ion channel" "O75762" "TRPA1" "TRPA1_HUMAN" 5.1 "EC50" "Calcium imaging, patch clamp" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=33" "ACTIVATOR" "Tclin" "Homo sapiens" +"apomorphine" 228 "Mannose-6-phosphate isomerase" "Enzyme" "P34949" "MPI" "MPI_HUMAN" 4.84000015258789 "IC50" "PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isomerase (PMI) via a fluorescence intensity assay using a high concentration of mannose 6-phosphate. (Class of assay: confirmatory) [Related pubchem assays: 1209 ]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53" "Tchem" "Homo sapiens" +"apomorphine" 228 "Cytoplasmic zinc-finger protein" "Unclassified" "G5EF15" "pos-1" "G5EF15_CAEEL" 4.77 "EC50" "Inconclusive" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53" "Caenorhabditis elegans" +"apomorphine" 228 "Zinc finger protein mex-5" "Cytosolic other" "Q9XUB2" "mex-5" "MEX5_CAEEL" 5.35 "EC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53" "Caenorhabditis elegans" +"apraclonidine" 229 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.93839359283447 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL647" "AGONIST" "Tclin" "Homo sapiens" +"apraclonidine" 229 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.52 "Ki" "Compound was tested in vitro for binding affinity against Alpha-2C adrenergic receptor from cloned human C-2 receptor transfected into Chinese hamster ovary (CHO) cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL647" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL647" "AGONIST" "Tclin" "Homo sapiens" +"apraclonidine" 229 "Adrenergic receptor alpha-1" "GPCR" "P25100|P35348|P35368" "ADRA1A|ADRA1B|ADRA1D" "ADA1A_HUMAN|ADA1B_HUMAN|ADA1D_HUMAN" 6.74 "Ki" "Compound was tested for binding affinity based on dissociation constant of Alpha-1 adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL647" "Tclin|Tclin|Tclin" "Homo sapiens" +"apraclonidine" 229 "Alpha-2B adrenergic receptor" "GPCR" "P19328" "Adra2b" "ADA2B_RAT" 8.32 "Ki" "Compound was tested in vitro for binding affinity against Alpha-2B adrenergic receptor from cloned rat RNG receptor transfected into Chinese hamster ovary (CHO) cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL647" "Rattus norvegicus" +"apraclonidine" 229 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 8.54 "Ki" "Compound was tested in vitro for binding affinity against Alpha-2A adrenergic receptor from cloned human C-10 receptor transfected into Chinese hamster ovary (CHO) cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL647" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL647" "AGONIST" "Tclin" "Homo sapiens" +"aprepitant" 230 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"aprepitant" 230 "Neuromedin-K receptor" "GPCR" "P29371" "TACR3" "NK3R_HUMAN" 6.34 "Ki" "Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1471" "Tchem" "Homo sapiens" +"aprepitant" 230 "Substance-P receptor" "GPCR" "P25103" "TACR1" "NK1R_HUMAN" 10.7 "Ki" "GRAC: human NK1 selective antagonist" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1471" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1471" "ANTAGONIST" "Tclin" "Homo sapiens" +"aprepitant" 230 "Substance-P receptor" "Unclassified" "Q5DUB1" "TACR1" "NK1R_MERUN" 10.05 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1471" "Meriones unguiculatus" +"aprindine" 231 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4" "Ion channel" "Q9Y3Q4" "HCN4" "HCN4_HUMAN" 4.3595 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"aprindine" 231 "Sodium/calcium exchanger 1" "Transporter" "P32418" "SLC8A1" "NAC1_HUMAN" 4.301 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"aprindine" 231 "Proteasome subunit alpha type-1" "Enzyme" "P25786" "PSMA1" "PSA1_HUMAN" 5.3979 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"aprindine" 231 "Calmodulin" "Cytosolic other" "P0DP23|P0DP24|P0DP25" "CALM1|CALM2|CALM3" "CALM1_HUMAN|CALM2_HUMAN|CALM3_HUMAN" 4.7447 "ID50" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/6186851" "INHIBITOR" "Tclin" "Homo sapiens" +"aprindine" 231 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 7.757 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"aprindine" 231 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"aprindine" 231 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"aranidipine" 234 "Voltage-gated L-type calcium channel" "Ion channel" "Q01668|Q13936" "CACNA1C|CACNA1D" "CAC1C_HUMAN|CAC1D_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01562" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"arbutamine" 237 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/8723169" "http://www.ncbi.nlm.nih.gov/pubmed/8723169" "AGONIST" "Tclin" "Homo sapiens" +"argatroban" 239 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 7.39794 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1166" "INHIBITOR" "Tclin" "Homo sapiens" +"argatroban" 239 "Tissue-type plasminogen activator" "Enzyme" "P00750" "PLAT" "TPA_HUMAN" 4.06 "Ki" "Inhibition of human t-PA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1166" "Tclin" "Homo sapiens" +"argatroban" 239 "Cationic trypsin" "Enzyme" "P00760" "TRY1_BOVIN" 5.54 "Ki" "Inhibition of bovine trypsin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1166" "Bos taurus" +"argatroban" 239 "Prothrombin" "Enzyme" "P00735" "F2" "THRB_BOVIN" 8.02 "Ki" "Inhibitory activity against thrombin." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1166" "Bos taurus" +"argatroban" 239 "Coagulation factor X" "Enzyme" "P00742" "F10" "FA10_HUMAN" 4.28 "Ki" "Inhibition of human factor 10a" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1166" "Tclin" "Homo sapiens" +"aripiprazole" 242 "D(4) dopamine receptor" "GPCR" "P30729" "Drd4" "DRD4_RAT" 7.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=34" "ANTAGONIST" "Rattus norvegicus" +"aripiprazole" 242 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 6.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=34" "AGONIST" "Rattus norvegicus" +"aripiprazole" 242 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 7.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=34" "AGONIST" "Rattus norvegicus" +"aripiprazole" 242 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 6.65 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"aripiprazole" 242 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.49248170852661 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"aripiprazole" 242 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 5.90640306472778 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"aripiprazole" 242 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 6.20204019546509 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"aripiprazole" 242 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 9.44369792938232 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"aripiprazole" 242 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.46347093582153 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"aripiprazole" 242 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 5.09690999984741 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"aripiprazole" 242 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 5.68121290206909 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"aripiprazole" 242 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.06001663208008 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"aripiprazole" 242 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.33003282546997 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"aripiprazole" 242 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.42136096954346 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"aripiprazole" 242 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.99139976501465 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"aripiprazole" 242 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.1688985824585 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"aripiprazole" 242 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.13076829910278 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"aripiprazole" 242 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.63292407989502 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"aripiprazole" 242 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.85078096389771 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"aripiprazole" 242 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.8180136680603 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"aripiprazole" 242 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.45487833023071 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"aripiprazole" 242 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.53 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"aripiprazole" 242 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.244 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"aripiprazole" 242 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.36 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"aripiprazole" 242 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.9 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1112" "ANTAGONIST" "Tclin" "Homo sapiens" +"aripiprazole" 242 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.15 "Ki" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207533s000lbl.pdf" "PARTIAL AGONIST" "Tclin" "Homo sapiens" +"aripiprazole" 242 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.71 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1112" "PARTIAL AGONIST" "Tclin" "Homo sapiens" +"aripiprazole" 242 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 7.2 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"aripiprazole" 242 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.2147 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"aripiprazole" 242 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 7.69 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"aripiprazole" 242 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.51 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"aripiprazole" 242 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.83 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"aripiprazole" 242 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.1 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"aripiprazole" 242 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.787812396 "Ki" "PDSP" "Tclin" "Homo sapiens" +"aripiprazole" 242 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.679853714 "Ki" "PDSP" "Tclin" "Homo sapiens" +"aripiprazole" 242 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 6.11 "IC50" "Inhibition of human ABCB1-mediated rhodamine 123 efflux in mouse L5178 cells expressing human MDR1 after 20 mins by FACS analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1112" "Tchem" "Homo sapiens" +"aripiprazole" 242 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 9.1 "Ki" "Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1112" "Rattus norvegicus" +"aripiprazole" 242 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.22 "Ki" "Displacement of [3H]dofetilide from human ERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1112" "Tclin" "Homo sapiens" +"aripiprazole" 242 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 8.15 "Ki" "Displacement of [3H]ketanserin from 5HT2A receptor in Wistar rat cortex homogenate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1112" "Rattus norvegicus" +"aripiprazole" 242 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 5.97 "Ki" "Displacement of [3H]-citalopram from SERT in rat cerebral cortex after 1 hr by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1112" "Rattus norvegicus" +"aripiprazole" 242 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 9.4 "Ki" "Displacement of [3H]-8-OH-DPAT from 5HT1A receptor in Wistar rat hippocampus homogenate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1112" "Rattus norvegicus" +"aripiprazole" 242 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 9.1 "Ki" "Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1112" "Rattus norvegicus" +"aripiprazole" 242 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 7.59 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1112" "Rattus norvegicus" +"aripiprazole" 242 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 7.42 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1112" "Rattus norvegicus" +"aripiprazole" 242 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 7 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1112" "Cavia porcellus" +"arsenic trioxide" 244 "Thioredoxin reductase 1, cytoplasmic" "Enzyme" "Q16881" "TXNRD1" "TRXR1_HUMAN" "Mechanism of Action; CHEMBL1927; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200978" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200978" "INHIBITOR" "Tclin" "Homo sapiens" +"arsenic trioxide" 244 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.824 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "Potassium voltage-gated channel subfamily H member 1" "Ion channel" "O95259" "KCNH1" "KCNH1_HUMAN" 6.7 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2603" "BLOCKER" "Tclin" "Homo sapiens" +"astemizole" 249 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 4.998396076 "Ki" "DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 6.217527376 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.697885623 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.821886748 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.740645073 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.025028006 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.15490196 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.86518563 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.358525889 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.253365801 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.125518182 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.026872146 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.819300799 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"astemizole" 249 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.756218084 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.829738285 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.781464495 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.590066877 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.300162274 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.749579998 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.586700236 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.296708622 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.218603695 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.54515514 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.100726813 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 4.783543785 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"astemizole" 249 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.670805585 "Ki" "DRUGMATRIX: Dopamine D4.2 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"astemizole" 249 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.004364805 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 7.017728767 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT3 radioligand binding (ligand: [3H] GR-65630)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.57741016 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.339608902 "Ki" "DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.217742426 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "Substance-P receptor" "GPCR" "P25103" "TACR1" "NK1R_HUMAN" 5.064744718 "Ki" "DRUGMATRIX: Tachykinin NK1 radioligand binding (ligand: [3H] Substance P)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 4.700710666 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.545612533 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 4.883259465 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 6.002176919 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"astemizole" 249 "Sodium/nucleoside cotransporter 1" "Transporter" "O00337" "SLC28A1" "S28A1_HUMAN" 5.311936303 "Ki" "DRUGMATRIX: Sodium/nucleoside co-transporter radioligand binding (ligand: nitrobenzylthioinosine)" "DRUG MATRIX" "=" "Tbio" "Homo sapiens" +"astemizole" 249 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.022276395 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"astemizole" 249 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 6.200659451 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"astemizole" 249 "Melanocortin receptor 4" "GPCR" "P32245" "MC4R" "MC4R_HUMAN" 4.869634063 "Ki" "DRUGMATRIX: Melanocortin MC4 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "Melanocortin receptor 5" "GPCR" "P33032" "MC5R" "MC5R_HUMAN" 5.673050006 "Ki" "DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"astemizole" 249 "Melanocortin receptor 3" "GPCR" "P41968" "MC3R" "MC3R_HUMAN" 4.868092757 "Ki" "DRUGMATRIX: Melanocortin MC3 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"astemizole" 249 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.732828272 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"astemizole" 249 "Calmodulin" "Cytosolic other" "P0DP23|P0DP24|P0DP25" "CALM1|CALM2|CALM3" "CALM1_HUMAN|CALM2_HUMAN|CALM3_HUMAN" 6 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"astemizole" 249 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.58 "A2" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/6114717" "ANTAGONIST" "Tclin" "Homo sapiens" +"astemizole" 249 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 6.05 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"astemizole" 249 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.4815 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 9.0458 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"astemizole" 249 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 5.1 "Ki" "Displacement of [3H]histamine from human H4R expressed in Sf9 cells co-expressing RGS19, Galphai2 and Gbeta1gamma2 after 60 mins by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL296419" "Tchem" "Homo sapiens" +"astemizole" 249 "Somatostatin receptor type 5" "GPCR" "P35346" "SSTR5" "SSR5_HUMAN" 5.39 "Ki" "Displacement of [125I]11-Tyr somatostatin-14 from human SST5R expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL296419" "Tclin" "Homo sapiens" +"astemizole" 249 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 4.58 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL296419" "Tchem" "Homo sapiens" +"astemizole" 249 "Protein farnesyltransferase" "Enzyme" "P29702|P49355" "FNTA|FNTB" "FNTA_BOVIN|FNTB_BOVIN" 8.7 "IC50" "Inhibit of purified bovine Farnesyl protein transferase." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL296419" "Bos taurus" +"astemizole" 249 "Polycomb protein EED" "Unclassified" "O75530" "EED" "EED_HUMAN" 4.03000020980835 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL296419" "Tbio" "Homo sapiens" +"astemizole" 249 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 5.38000011444092 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL296419" "Tclin" "Homo sapiens" +"astemizole" 249 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.12 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL296419" "Rattus norvegicus" +"astemizole" 249 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.62 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL296419" "Rattus norvegicus" +"asulacrine" 252 "DNA topoisomerase 2-alpha" "Enzyme" "P11388" "TOP2A" "TOP2A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"atazanavir" 254 "UDP-glucuronosyltransferase 1-1" "Enzyme" "P22309" "UGT1A1" "UD11_HUMAN" 5.7212 "Ki" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"atazanavir" 254 "Gag-Pol polyprotein" "Polyprotein" "P03367" "gag-pol" "POL_HV1BR" 8.5751 "Ki" "WOMBAT-PK" "=" "Human immunodeficiency virus type 1 group M subtype B (isolate BRU/LAI)" +"atazanavir" 254 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 4.9208 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"atazanavir" 254 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 4.9208 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"atazanavir" 254 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.6289 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"atazanavir" 254 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 4.17 "IC50" "Inhibition of human MDR1-dependent accumulation of calcein-AM expressed in MDCK2 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1163" "Tchem" "Homo sapiens" +"atazanavir" 254 "Pol polyprotein" "Enzyme" "Q72874" "pol" "Q72874_9HIV1" 9.62 "Ki" "Inhibition constant for human immunodeficiency virus type 1 protease" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1163" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1163" "INHIBITOR" "Human immunodeficiency virus 1" +"atazanavir" 254 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" 7.59 "IC50" "The percent reduction of the reverse transcriptase (RT) activity in HIV-1/MN-infected MT-2 cells." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1163" "Human immunodeficiency virus 1" +"atazanavir" 254 "Protease" "Enzyme" "Q9YQ12" "protease" "Q9YQ12_9HIV1" 8.4 "IC50" "Inhibition of wild type C-South African Human immunodeficiency virus 1 protease using chromogenic peptide H-1048 as substrate by UV spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1163" "Human immunodeficiency virus 1" +"atenolol" 255 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 8.75 "IC50" "Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24" "Tchem" "Homo sapiens" +"atenolol" 255 "Beta-2 adrenergic receptor" "GPCR" "Q8K4Z4" "Adrb2" "ADRB2_CAVPO" 5.93 "Kd" "In vitro beta-2 adrenergic receptor activity was determined by measuring inhibition of the isoproterenol induced relaxation in isolated guinea pig tracheal chains contracted with PGF2-alpha" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24" "Cavia porcellus" +"atenolol" 255 "Beta-1 adrenergic receptor" "GPCR" "B0FL73" "ADRB1" "B0FL73_CAVPO" 7.62 "Kd" "In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea pig atrial preparations" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24" "Cavia porcellus" +"atenolol" 255 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 7.3 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24" "ANTAGONIST" "Tclin" "Homo sapiens" +"atenolol" 255 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.8 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"atenolol" 255 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24" "Rattus norvegicus" +"atomoxetine" 256 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 5.85 "Ki" "Inhibition of [3H]- DA reuptake into rat striatal synaptosomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL641" "Rattus norvegicus" +"atomoxetine" 256 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 7.37 "Ki" "Inhibition of [3H]5-HT reuptake into rat frontal cortex synaptosomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL641" "Rattus norvegicus" +"atomoxetine" 256 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 8.4 "Ki" "Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL641" "Rattus norvegicus" +"atomoxetine" 256 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.97 "Kd" "Equilibrium dissociation constant (KD) for Competitive binding between [3H]WIN-35428 and the compound at human transporter-hDAT" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL641" "Tclin" "Homo sapiens" +"atomoxetine" 256 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 9.15 "Ki" "Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL641" "Rattus norvegicus" +"atomoxetine" 256 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 8.69 "Kd" "Equilibrium dissociation constant (KD) for Competitive binding between [3H]- nisoxatine and the compound at human Norepinephrine transporter" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL641" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL641" "INHIBITOR" "Tclin" "Homo sapiens" +"atomoxetine" 256 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.68 "IC50" "Inhibition of human ERG expressed in HEK293 cells by patch-clamp method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL641" "Tclin" "Homo sapiens" +"atomoxetine" 256 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 8.05 "Kd" "Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERT" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL641" "Tclin" "Homo sapiens" +"atomoxetine" 256 "Kir3.1/Kir3.2" "Ion channel" "P48051|P48549" "KCNJ3|KCNJ6" "KCNJ3_HUMAN|KCNJ6_HUMAN" 4.4776 "IC50" "WOMBAT-PK" "=" "Tbio|Tchem" "Homo sapiens" +"atomoxetine" 256 "Kir3.1/Kir3.4" "Ion channel" "P48544|P48549" "KCNJ3|KCNJ5" "KCNJ3_HUMAN|KCNJ5_HUMAN" 4.8447 "IC50" "WOMBAT-PK" "=" "Tbio|Tbio" "Homo sapiens" +"atomoxetine" 256 "G protein-activated inward rectifier potassium channel 2" "Ion channel" "P48051" "KCNJ6" "KCNJ6_HUMAN" 4.2823 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"atomoxetine" 256 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 4.7696 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"atomoxetine" 256 "Krueppel-like factor 10" "Unclassified" "Q13118" "KLF10" "KLF10_HUMAN" 4 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL641" "Tbio" "Homo sapiens" +"atorvastatin" 257 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P04035" "HMGCR" "HMDH_HUMAN" 8 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1487" "INHIBITOR" "Tclin" "Homo sapiens" +"atorvastatin" 257 "Nuclear receptor subfamily 1 group I member 3" "Nuclear hormone receptor" "Q14994" "NR1I3" "NR1I3_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"atorvastatin" 257 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.29 "IC50" "Inhibition of CYP3A4 in human liver microsome" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1487" "Tclin" "Homo sapiens" +"atorvastatin" 257 "Histone deacetylase 6" "Enzyme" "Q9UBN7" "HDAC6" "HDAC6_HUMAN" 4.84 "IC50" "Inhibition of recombinant HDAC6 (unknown origin) after 10 mins by fluorimetric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1487" "Tclin" "Homo sapiens" +"atorvastatin" 257 "Histone deacetylase 1" "Enzyme" "Q13547" "HDAC1" "HDAC1_HUMAN" 4.93 "IC50" "Inhibition of recombinant HDAC1 (unknown origin) after 10 mins by fluorimetric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1487" "Tclin" "Homo sapiens" +"atorvastatin" 257 "Histone deacetylase 2" "Enzyme" "Q92769" "HDAC2" "HDAC2_HUMAN" 4.65 "IC50" "Inhibition of recombinant HDAC2 (unknown origin) after 10 mins by fluorimetric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1487" "Tclin" "Homo sapiens" +"atorvastatin" 257 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P51639" "Hmgcr" "HMDH_RAT" 8.42 "IC50" "Inhibition of rat microsomal HMGCoA reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1487" "Rattus norvegicus" +"atorvastatin" 257 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "Q1W675" "HMGCR" "HMDH_PIG" 4.49 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1487" "Sus scrofa" +"atovaquone" 258 "Ubiquinol-cytochrome-c reductase complex core protein I, mitochondrial" "Enzyme" "P43264" "QCR1_EUGGR" "WOMBAT-PK" "Euglena gracilis" +"atovaquone" 258 "Dihydroorotate dehydrogenase (quinone), mitochondrial" "Enzyme" "Q02127" "DHODH" "PYRD_HUMAN" 5.03 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"atovaquone" 258 "Dihydroorotate dehydrogenase (quinone), mitochondrial" "Enzyme" "Q63707" "Dhodh" "PYRD_RAT" 6.15 "IC50" "Inhibition of rat purified recombinant DHODH" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1450" "Rattus norvegicus" +"atovaquone" 258 "Cytochrome b" "Enzyme" "Q02768" "MT-CYB" "CYB_PLAFA" "Mechanism of Action; CHEMBL1777; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1450" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1450" "INHIBITOR" "Plasmodium falciparum" +"atovaquone" 258 "Dihydroorotate dehydrogenase" "Unclassified" "Q54A96" "dhod" "Q54A96_PLAFA" 4.57 "Ki" "Inhibition of plasmodium falciparum DHODH assessed as inhibition of [14C]bicarbonate incorporation into pyrimidine nucleotide by HPLC analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1450" "Plasmodium falciparum" +"atracurium" 259 "Neuronal acetylcholine receptor subunit alpha-2" "Ion channel" "Q15822" "CHRNA2" "ACHA2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"atracurium" 259 "Acetylcholine receptor" "Ion channel" "P02708|P11230|Q07001" "CHRNA1|CHRNB1|CHRND" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN" 7.7696 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1360" "ANTAGONIST" "Tclin|Tclin|Tclin" "Homo sapiens" +"atracurium" 259 "Small conductance calcium-activated potassium channel protein 3" "Ion channel" "P70605" "Kcnn3" "KCNN3_RAT" 5.23 "Ki" "Displacement of [I125]apamine from Wistar rat recombinant SK3 channel expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1360" "Rattus norvegicus" +"atropine" 260 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 9.29 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"atropine" 260 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 9.39 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"atropine" 260 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 9.5 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL517712" "ANTAGONIST" "Tclin" "Homo sapiens" +"atropine" 260 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 8.97 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL517712" "ANTAGONIST" "Tclin" "Homo sapiens" +"atropine" 260 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 9.31 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL517712" "ANTAGONIST" "Tclin" "Homo sapiens" +"atropine" 260 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.27572413 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"atropine" 260 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.176525771 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"atropine" 260 "Muscarinic receptor M1" "GPCR" "Q8WMX0" "Q8WMX0_BOVIN" 9.7 "Ki" "Binding affinity against Muscarinic acetylcholine receptor M1 by displacement of [3H]pirenzepine in bovine striatum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL517712" "Bos taurus" +"atropine" 260 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 9.15 "Ki" "Binding affinity against Muscarinic acetylcholine receptor M2 by displacement of [3H]QNB in rat myocardium" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL517712" "Rattus norvegicus" +"atropine" 260 "Muscarinic acetylcholine receptor M5" "GPCR" "P08911" "Chrm5" "ACM5_RAT" 9.07 "Ki" "Displacement of [3H]NMS from rat recombinant muscarinic M5 receptor expressed in CHO cells after 2 hrs by microplate scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL517712" "Rattus norvegicus" +"atropine" 260 "Muscarinic acetylcholine receptor M2" "GPCR" "Q9ERZ4" "Chrm2" "ACM2_MOUSE" 9.46 "Ki" "Ability to displace [3H]oxotremorine ([3H]-OXO-M) from mouse cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL517712" "Mus musculus" +"atropine" 260 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.91 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL517712" "Tchem" "Homo sapiens" +"atropine" 260 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 9.59 "Ki" "Ability to displace [3H]pirenzepine (PZ) from M1 receptor in rat cortex homogenate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL517712" "Rattus norvegicus" +"atropine" 260 "Nicotinic acetylcholine receptor alpha 5 subunit" "Ion channel" "A9XFY4" "nAChRalpha5" "A9XFY4_MUSDO" 4.49 "Ki" "Displacement of [3H]alpha-bungarotoxin from nAChR in Musca domestica (house fly) head membrane after 60 min by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL517712" "Musca domestica" +"atropine" 260 "Acetylcholinesterase" "Enzyme" "P21836" "Ache" "ACES_MOUSE" 9.46 "Ki" "Compound was evaluated for the binding affinity by displacing [3H]oxotremorine from mouse cerebral cortex tissue." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL517712" "Mus musculus" +"atropine" 260 "Muscarinic acetylcholine receptor M3" "GPCR" "P08483" "Chrm3" "ACM3_RAT" 9.92 "Ki" "Ability to displace [3H]N-methylscopolamine (NMS) from M3 receptor in rat submaxillary gland homogenate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL517712" "Rattus norvegicus" +"atropine" 260 "Muscarinic acetylcholine receptor M4" "GPCR" "P08485" "Chrm4" "ACM4_RAT" 9.28 "Ki" "Displacement of [3H]NMS from rat recombinant muscarinic M4 receptor expressed in CHO cells after 2 hrs by microplate scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL517712" "Rattus norvegicus" +"atropine" 260 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm2|Chrm3|Chrm4|Chrm5" "ACM1_RAT|ACM2_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT" 9.52 "Ki" "The compound was tested for inhibition of [3H]NMS binding against muscarinic acetylcholine receptor in rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL517712" "Rattus norvegicus" +"atropine" 260 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.906578315 "Ki" "PDSP" "Tclin" "Homo sapiens" +"atropine" 260 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.154858533 "Ki" "PDSP" "Tclin" "Homo sapiens" +"azapetine" 265 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 5.89 "IC50" "Inhibition of specific [3H]clonidine binding (0.4 nM) to rat brain membranes alpha-2 adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2103986" "Rattus norvegicus" +"azapetine" 265 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 6.69 "IC50" "Inhibition of specific [3H]-prazosin binding (0.2 nM) to rat brain membranes alpha-1 adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2103986" "Rattus norvegicus" +"azapropazone" 266 "Xanthine dehydrogenase/oxidase" "Enzyme" "P47989" "XDH" "XDH_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"azapropazone" 266 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"azasetron" 267 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 9.26760578155518 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/19967488" "http://www.ncbi.nlm.nih.gov/pubmed/19967488" "ANTAGONIST" "Tclin" "Homo sapiens" +"azatadine" 268 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00719" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL946" "ANTAGONIST" "Tclin" "Homo sapiens" +"azatadine" 268 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 8.41 "Ki" "Binding affinity to histamine H1 receptor in rat brain membranes was evaluated using [3H]-pyrilamine as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL946" "Rattus norvegicus" +"azathioprine" 269 "DNA" "DNA" "Mechanism of Action" "DRUG LABEL" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/18506437" "OTHER" +"azathioprine" 269 "RNA" "RNA" "Mechanism of Action" "DRUG LABEL" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/18506437" "OTHER" +"azathioprine" 269 "Thiopurine S-methyltransferase" "Enzyme" "P51580" "TPMT" "TPMT_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"azathioprine" 269 "Ras-related C3 botulinum toxin substrate 1" "Unclassified" "P63000" "RAC1" "RAC1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"azathioprine" 269 "Multidrug resistance-associated protein 4" "Transporter" "O15439" "ABCC4" "MRP4_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"azathioprine" 269 "Multidrug resistance-associated protein 5" "Transporter" "O15440" "ABCC5" "MRP5_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"azathioprine" 269 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"azelaic acid" 270 "3-oxo-5-alpha-steroid 4-dehydrogenase 2" "Enzyme" "P31213" "SRD5A2" "S5A2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"azelastine" 271 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.1675 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL639" "ANTAGONIST" "Tclin" "Homo sapiens" +"azelastine" 271 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"azelastine" 271 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.3 "Ki" "Binding affinity to human adrenergic alpha1A receptor expressed in rat intact fibroblasts" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL639" "Tclin" "Homo sapiens" +"azelastine" 271 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.3 "Ki" "Binding affinity to human adrenergic Alpha-1B receptor expressed in rat intact fibroblasts" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL639" "Tclin" "Homo sapiens" +"azelastine" 271 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 7 "IC50" "Displacement of labeled dofetilide human ERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL639" "Tclin" "Homo sapiens" +"azelastine" 271 "Histamine H3 receptor" "GPCR" "Q9Y5N1" "HRH3" "HRH3_HUMAN" 6.83 "Ki" "Antagonist activity at human H3 receptor expressed in CHO cells assessed as inhibition of histamine-induced GTPgamma[S] binding by scintillation proximity assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL639" "Tclin" "Homo sapiens" +"azelnidipine" 272 "Voltage-gated L-type calcium channel" "Ion channel" "Q01668|Q13936" "CACNA1C|CACNA1D" "CAC1C_HUMAN|CAC1D_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01145" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"azimilide" 274 "Potassium voltage-gated channel subfamily KQT member 1" "Unclassified" "P97414" "Kcnq1" "KCNQ1_MOUSE" 5.3 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2588" "BLOCKER" "Mus musculus" +"azimilide" 274 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.4 "IC50" "Inhibitory concentration against IKr potassium channel" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL123558" "Tclin" "Homo sapiens" +"azimilide" 274 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "O08703" "KCNH2" "KCNH2_CAVPO" 6.74 "IC50" "Inhibition of ERG in guinea pig ventricular myocytes assessed as blockade of rapid delayed rectifier potassium current by whole cell patch-clamp technique" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL123558" "Cavia porcellus" +"azimilide" 274 "Potassium voltage-gated channel subfamily KQT member 1" "Ion channel" "O70344" "KCNQ1" "KCNQ1_CAVPO" 6.62 "IC50" "Inhibition of KVLQT1/minK in guinea pig ventricular myocytes assessed as blockade of slow delayed rectifier potassium current by whole cell patch-clamp technique" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL123558" "Cavia porcellus" +"azithromycin" 276 "SARS-CoV-2" "Virus" 5.67 "EC50" "in vitro inhibition of SAR-CoV2 replication" "SCIENTIFIC LITERATURE" "=" "http://dx.doi.org/10.1101/2020.04.03.023846" "INHIBITOR" +"azithromycin" 276 "Canalicular multispecific organic anion transporter 1" "Transporter" "Q92887" "ABCC2" "MRP2_HUMAN" 4.16 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"azithromycin" 276 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 3.7 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"azithromycin" 276 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 3.39 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"azithromycin" 276 "Motilin receptor" "GPCR" "O43193" "MLNR" "MTLR_HUMAN" 5.5 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6510" "AGONIST" "Tchem" "Homo sapiens" +"azlocillin" 277 "Penicillin-binding protein" "Enzyme" "Q07806|Q51504|Q51505|Q9X6V3|Q9X6V7|Q9X6W0" "dacA|mrcA|pbpA|pbpB|pbpC|ponB" "PBPA_PSEAE|Q51504_PSEAI|Q51505_PSEAI|Q9X6V3_PSEAI|Q9X6V7_PSEAI|Q9X6W0_PSEAI" "Mechanism of Action; CHEMBL2363020; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1537" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1537" "INHIBITOR" "Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)" +"aztreonam" 279 "Penicillin-binding protein 1B" "Enzyme" "P02919" "mrcB" "PBPB_ECOLI" 4.3167 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL158" "INHIBITOR" "Escherichia coli (strain K12)" +"aztreonam" 279 "Penicillin-binding protein 1A" "Enzyme" "P02918" "mrcA" "PBPA_ECOLI" 5.3167 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL158" "INHIBITOR" "Escherichia coli (strain K12)" +"aztreonam" 279 "Peptidoglycan synthase FtsI" "Enzyme" "P0AD68" "ftsI" "FTSI_ECOLI" 5.7358 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL158" "INHIBITOR" "Escherichia coli (strain K12)" +"aztreonam" 279 "Penicillin-binding protein 1A" "Enzyme" "Q07806" "mrcA" "PBPA_PSEAE" 5.48 "IC50" "Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia coli BL21 (Gold cells)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL158" "Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)" +"aztreonam" 279 "Beta-lactamase" "Enzyme" "A4ZYU9" "blaACC-4" "A4ZYU9_ECOLX" 7.49 "IC50" "Inhibition of Escherichia coli beta-lactamase ACC4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL158" "Escherichia coli" +"aztreonam" 279 "Beta-lactamase" "Enzyme" "A2RP81" "blaPER-2" "A2RP81_CITFR" 5.7 "Ki" "Inhibition of Citrobacter freundii PER2 beta lactamase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL158" "Citrobacter freundii" +"aztreonam" 279 "AmpC" "Unclassified" "Q83TT7" "ampC" "Q83TT7_ECOLX" 7.22 "IC50" "Inhibition of Escherichia coli ATCC 25922 AmpC" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL158" "Escherichia coli" +"aztreonam" 279 "Beta-lactamase" "Enzyme" "B2ZTR6" "B2ZTR6_ACIBA" 8.15 "Ki" "Activity of Acinetobacter baumannii ADC-33 beta-lactamase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL158" "Acinetobacter baumannii" +"aztreonam" 279 "Beta-lactamase" "Enzyme" "D6NSM8" "ampC" "D6NSM8_ACIBA" 5.52 "Ki" "Activity of Acinetobacter baumannii ADC-11 beta-lactamase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL158" "Acinetobacter baumannii" +"aztreonam" 279 "Efflux transporter; SugE" "Unclassified" "Q3S5C3" "sugE" "Q3S5C3_SALNE" 8.22 "IC50" "Inhibition of Salmonella enterica serotype Newport AM17274 cephalosporinase CMY-31 by UV spectrophotometer in presence of 100 uM of cephalothin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL158" "Salmonella newport" +"aztreonam" 279 "Beta-lactamase" "Enzyme" "Q48435" "bla LAT-2" "Q48435_KLEPN" 8.22 "IC50" "Inhibition of Klebsiella pneumoniae HP205 cephalosporinase CMY-36 by UV spectrophotometer in presence of 100 uM of cephalothin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL158" "Klebsiella pneumoniae" +"bacampicillin" 280 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1583" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1583" "INHIBITOR" "Escherichia coli (strain K12)" +"bacitracin" 281 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.269459964 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"bacitracin" 281 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 5.716020716 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"bacitracin" 281 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.868381336 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"baclofen" 282 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 7.3 "IC50" "Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL701" "Tchem" "Homo sapiens" +"baclofen" 282 "GABA-B receptor" "GPCR" "O75899|Q9UBS5" "GABBR1|GABBR2" "GABR1_HUMAN|GABR2_HUMAN" 7.46 "IC50" "Inhibition of [3H]-baclofen binding to Gamma-aminobutyric acid type B receptor of cat cerebellum" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL701" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL701" "AGONIST" "Tclin|Tclin" "Homo sapiens" +"baclofen" 282 "GABA B receptor" "GPCR" "O88871|Q9Z0U4" "Gabbr1|Gabbr2" "GABR1_RAT|GABR2_RAT" 7.52 "IC50" "In vitro displacement of [3H]GABA from Gamma-aminobutyric acid type B receptor sites in rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL701" "Rattus norvegicus" +"baclofen" 282 "GABA-A receptor; anion channel" "Ion channel" "O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14" "Gabra1|Gabra2|Gabra3|Gabra4|Gabra5|Gabra6|Gabrb1|Gabrb2|Gabrb3|Gabrd|Gabre|Gabrg1|Gabrg2|Gabrg3|Gabrp|Gabrq" "GBRA1_RAT|GBRA2_RAT|GBRA3_RAT|GBRA4_RAT|GBRA5_RAT|GBRA6_RAT|GBRB1_RAT|GBRB2_RAT|GBRB3_RAT|GBRD_RAT|GBRE_RAT|GBRG1_RAT|GBRG2_RAT|GBRG3_RAT|GBRP_RAT|Q91ZM7_RAT" 7.52 "IC50" "Displacement of [3H]GABA from Gamma-aminobutyric acid A (GABA-A) receptor in rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL701" "Rattus norvegicus" +"balsalazide" 284 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200760" "INHIBITOR" "Tclin" "Homo sapiens" +"balsalazide" 284 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200760" "INHIBITOR" "Tclin" "Homo sapiens" +"balsalazide" 284 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" "Mechanism of Action; CHEMBL215; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200760" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200760" "INHIBITOR" "Tclin" "Homo sapiens" +"balsalazide" 284 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" "Mechanism of Action; CHEMBL235; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200760" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200760" "AGONIST" "Tclin" "Homo sapiens" +"bambuterol" 285 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.698970004 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"bambuterol" 285 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"bambuterol" 285 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 3.25 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"bambuterol" 285 "Cholinesterase" "Enzyme" "P06276" "BCHE" "CHLE_HUMAN" 8.5 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6601" "INHIBITOR" "Tclin" "Homo sapiens" +"bamipine" 288 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "Mechanism of Action" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D07197" "http://www.kegg.jp/entry/D07197" "ANTAGONIST" "Tclin" "Homo sapiens" +"barnidipine" 290 "Voltage-gated L-type calcium channel" "Ion channel" "Q01668|Q13936" "CACNA1C|CACNA1D" "CAC1C_HUMAN|CAC1D_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D07494" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"beclometasone dipropionate" 294 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.427128398 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1370" "AGONIST" "Tclin" "Homo sapiens" +"beclometasone dipropionate" 294 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 5.69999980926514 "IC50" "DRUGMATRIX: Protease, Matrix Metalloprotease-9 (MMP-9) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1370" "Tchem" "Homo sapiens" +"beclometasone dipropionate" 294 "Interleukin-5" "Cytokine" "P05113" "IL5" "IL5_HUMAN" 4.57000017166138 "IC50" "Inhibition of interleukin-5" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1370" "Tclin" "Homo sapiens" +"beclometasone dipropionate" 294 "Glucocorticoid receptor" "Transcription factor" "P06536" "Nr3c1" "GCR_RAT" 8.54 "IC50" "Steroid binding against the rat thymus glucocorticoid receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1370" "Rattus norvegicus" +"beclometasone dipropionate" 294 "Interleukin-5" "Unclassified" "P04401" "Il5" "IL5_MOUSE" 4.58 "IC50" "Inhibition of IL5-mediated proliferation of mouse Y16 cells by WST1 assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1370" "Mus musculus" +"beclometasone dipropionate" 294 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 7.57 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1370" "Bos taurus" +"beclometasone dipropionate" 294 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.96 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1370" "Rattus norvegicus" +"belotecan" 296 "DNA topoisomerase 1" "Enzyme" "P11387" "TOP1" "TOP1_HUMAN" 6.56144189834595 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/9875499" "http://www.ncbi.nlm.nih.gov/pubmed/9875499" "INHIBITOR" "Tclin" "Homo sapiens" +"benazepril" 299 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 6.51 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL838" "INHIBITOR" "Tclin" "Homo sapiens" +"benazepril" 299 "Angiotensin-converting enzyme" "Enzyme" "P12822" "ACE" "ACE_RABIT" 8.7 "IC50" "Tested for 50% inhibition of Angiotensin converting enzyme(ACE) obtained from rabbit lung (in vitro)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL838" "Oryctolagus cuniculus" +"benazepril" 299 "Angiotensin-converting enzyme" "Enzyme" "P47820" "Ace" "ACE_RAT" 8.77 "IC50" "In vitro inhibitory activity against Angiotensin I converting enzyme" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL838" "Rattus norvegicus" +"bendamustine" 302 "DNA" "DNA" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/022249Orig1s019lbl.pdf" "OTHER" +"bendamustine" 302 "Histone deacetylase 3" "Enzyme" "O15379" "HDAC3" "HDAC3_HUMAN" 7.6 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL487253" "Tclin" "Homo sapiens" +"bendamustine" 302 "Histone deacetylase 1" "Enzyme" "Q13547" "HDAC1" "HDAC1_HUMAN" 7.77 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL487253" "Tclin" "Homo sapiens" +"bendamustine" 302 "Histone deacetylase 2" "Enzyme" "Q92769" "HDAC2" "HDAC2_HUMAN" 8.05 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL487253" "Tclin" "Homo sapiens" +"bendamustine" 302 "Histone deacetylase 10" "Enzyme" "Q969S8" "HDAC10" "HDA10_HUMAN" 7.14 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL487253" "Tclin" "Homo sapiens" +"bendamustine" 302 "Histone deacetylase 8" "Enzyme" "Q9BY41" "HDAC8" "HDAC8_HUMAN" 6.97 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL487253" "Tclin" "Homo sapiens" +"bendamustine" 302 "Histone deacetylase 6" "Enzyme" "Q9UBN7" "HDAC6" "HDAC6_HUMAN" 8.22 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL487253" "Tclin" "Homo sapiens" +"bendroflumethiazide" 305 "Solute carrier family 12 member 3" "Transporter" "P55017" "SLC12A3" "S12A3_HUMAN" 8.3 "A2" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1684" "INHIBITOR" "Tclin" "Homo sapiens" +"bendroflumethiazide" 305 "Calcium-activated potassium channel subunit alpha-1" "Ion channel" "Q12791" "KCNMA1" "KCMA1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"bendroflumethiazide" 305 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"bendroflumethiazide" 305 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"bendroflumethiazide" 305 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"benoxaprofen" 311 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" "Mechanism of Action" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D03080" "http://www.kegg.jp/entry/D03080" "INHIBITOR" "Tclin" "Homo sapiens" +"benoxaprofen" 311 "Bile salt export pump" "Unclassified" "O70127" "Abcb11" "ABCBB_RAT" 4 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL340978" "Rattus norvegicus" +"benperidol" 312 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 5.94 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"benperidol" 312 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.7 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"benperidol" 312 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 10.18 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"benperidol" 312 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"benperidol" 312 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 8.47 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"benperidol" 312 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 10.57 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"diphenidol" 313 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.959793372 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diphenidol" 313 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.966576245 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diphenidol" 313 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.131355562 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diphenidol" 313 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.105130343 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diphenidol" 313 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.107905397 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL936" "ANTAGONIST" "Tclin" "Homo sapiens" +"diphenidol" 313 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.562249437 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diphenidol" 313 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.283996656 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diphenidol" 313 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.420216403 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diphenidol" 313 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.068033885 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diphenidol" 313 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.486382926 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diphenidol" 313 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 5.57921938 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"diphenidol" 313 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.47 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL936" "Tclin|Tclin|Tclin" "Homo sapiens" +"benserazide" 314 "Aromatic-L-amino-acid decarboxylase" "Enzyme" "P20711" "DDC" "DDC_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"benserazide" 314 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 5.51999998092651 "IC50" "PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Secondary Assay. (Class of assay: confirmatory) [Related pubchem assays: 633 (Primary screen preceding this ELISA dose response confirmation assay.), 733 (Primary dose response assay preceding this ELISA dose response confirmation assay.)]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1096979" "Tclin" "Homo sapiens" +"benserazide" 314 "SUMO-activating enzyme" "Enzyme" "Q9UBE0|Q9UBT2" "SAE1|UBA2" "SAE1_HUMAN|SAE2_HUMAN" 4.63000011444092 "IC50" "PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2011, AID2018, AID2069, AID2614, AID2658]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1096979" "Tbio|Tbio" "Homo sapiens" +"benserazide" 314 "Cytoplasmic zinc-finger protein" "Unclassified" "G5EF15" "pos-1" "G5EF15_CAEEL" 4.43 "EC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1096979" "Caenorhabditis elegans" +"benserazide" 314 "Zinc finger protein mex-5" "Cytosolic other" "Q9XUB2" "mex-5" "MEX5_CAEEL" 6.95 "EC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1096979" "Caenorhabditis elegans" +"benzarone" 317 "Solute carrier family 22 member 12" "Transporter" "Q96S37" "SLC22A12" "S22AC_HUMAN" 5.55 "IC50" "Inhibition of human URAT1 expressed in xenopus oocyte assessed as inhibition of [14C]-labelled urate uptake after 60 mins by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1474963" "Tclin" "Homo sapiens" +"benzbromarone" 318 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.940058112 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"benzbromarone" 318 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.529883647 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"benzbromarone" 318 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 7.795880017 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"benzbromarone" 318 "cAMP-specific 3',5'-cyclic phosphodiesterase 4A" "Enzyme" "P27815" "PDE4A" "PDE4A_HUMAN" 5.976336082 "IC50" "DRUGMATRIX: Phosphodiesterase PDE4 enzyme inhibition (substrate: [3H]cAMP + cAMP)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"benzbromarone" 318 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 5.908333042 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"benzbromarone" 318 "Mitogen-activated protein kinase 1" "Kinase" "P28482" "MAPK1" "MK01_HUMAN" 5.710857164 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"benzbromarone" 318 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" 6.72 "Ki" "Inhibition of human MRP1 expressed in Spodoptera frugiperda Sf9 cells assessed as inhibition of NEM-GS-induced vanadate-sensitive ATPase activity measured by generation of inorganic phosphate by spectrophotometry in presence of glutathione" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL388590" "Tchem" "Homo sapiens" +"benzbromarone" 318 "Aldo-keto reductase family 1 member C1" "Enzyme" "Q04828" "AKR1C1" "AK1C1_HUMAN" 7.32 "IC50" "Inhibition of 20-alpha HSD" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL388590" "Tchem" "Homo sapiens" +"benzbromarone" 318 "Solute carrier family 22 member 12" "Transporter" "Q96S37" "SLC22A12" "S22AC_HUMAN" 7.59 "IC50" "Inhibition of human URAT1 expressed in xenopus oocyte assessed as inhibition of [14C]-labelled urate uptake after 60 mins by liquid scintillation counting" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL388590" "http://www.ncbi.nlm.nih.gov/pubmed/16135657" "INHIBITOR" "Tclin" "Homo sapiens" +"benzbromarone" 318 "Envelope glycoprotein gp160" "Unclassified" "Q6QLK5" "env" "Q6QLK5_9HIV1" 4.89 "IC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL388590" "Human immunodeficiency virus 1" +"benzbromarone" 318 "M1-family alanyl aminopeptidase" "Unclassified" "Q8IEK1" "Q8IEK1_PLAF7" 4.2 "IC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL388590" "Plasmodium falciparum (isolate 3D7)" +"benziodarone" 321 "Baculoviral IAP repeat-containing protein 5" "Unclassified" "O15392" "BIRC5" "BIRC5_HUMAN" 5.1 "Kd" "Binding affinity to human survivin expressed in Escherichia coli BL21 cells after 30 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL232201" "Tchem" "Homo sapiens" +"benzocaine" 323 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" 3.49484992027283 "ED50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/19661462" "http://www.ncbi.nlm.nih.gov/pubmed/12173241" "BLOCKER" "Tclin" "Homo sapiens" +"benzocaine" 323 "Sodium channel protein type 1 subunit alpha" "Ion channel" "P35498" "SCN1A" "SCN1A_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/12173241" "BLOCKER" "Tclin" "Homo sapiens" +"benzocaine" 323 "Sodium channel protein type 2 subunit alpha" "Ion channel" "Q99250" "SCN2A" "SCN2A_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/12173241" "BLOCKER" "Tclin" "Homo sapiens" +"benzocaine" 323 "Sodium channel protein type 3 subunit alpha" "Ion channel" "Q9NY46" "SCN3A" "SCN3A_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/12173241" "BLOCKER" "Tclin" "Homo sapiens" +"benzocaine" 323 "Sodium channel protein type 4 subunit alpha" "Ion channel" "P35499" "SCN4A" "SCN4A_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/12173241" "BLOCKER" "Tclin" "Homo sapiens" +"benzocaine" 323 "Sodium channel protein type 7 subunit alpha" "Ion channel" "Q01118" "SCN7A" "SCN7A_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/12173241" "BLOCKER" "Tclin" "Homo sapiens" +"benzocaine" 323 "Sodium channel protein type 8 subunit alpha" "Ion channel" "Q9UQD0" "SCN8A" "SCN8A_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/12173241" "BLOCKER" "Tclin" "Homo sapiens" +"benzocaine" 323 "Sodium channel protein type 9 subunit alpha" "Ion channel" "Q15858" "SCN9A" "SCN9A_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/12173241" "BLOCKER" "Tclin" "Homo sapiens" +"benzocaine" 323 "Sodium channel protein type 10 subunit alpha" "Ion channel" "Q9Y5Y9" "SCN10A" "SCNAA_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/12173241" "BLOCKER" "Tclin" "Homo sapiens" +"benzocaine" 323 "Sodium channel protein type 11 subunit alpha" "Ion channel" "Q9UI33" "SCN11A" "SCNBA_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/12173241" "BLOCKER" "Tclin" "Homo sapiens" +"benzonatate" 326 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"benzphetamine" 329 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" "Mechanism of Action; CHEMBL222; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3544906" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3544906" "RELEASING AGENT" "Tclin" "Homo sapiens" +"benzphetamine" 329 "Synaptic vesicular amine transporter" "Transporter" "Q05940" "SLC18A2" "VMAT2_HUMAN" "Mechanism of Action; CHEMBL1893; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3544906" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3544906" "INHIBITOR" "Tclin" "Homo sapiens" +"benzphetamine" 329 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"benzphetamine" 329 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"benzquinamide" 331 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.86486721038818 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/22711801" "Tclin" "Homo sapiens" +"benzquinamide" 331 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.16052198410034 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/22711801" "Tclin" "Homo sapiens" +"benzquinamide" 331 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.26360368728638 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/22711801" "Tclin" "Homo sapiens" +"benzquinamide" 331 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 6.241088108 "Ki" "PDSP" "Tchem" "Homo sapiens" +"benzquinamide" 331 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.444663672 "Ki" "PDSP" "Tclin" "Homo sapiens" +"benzquinamide" 331 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.4 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7124" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200707" "AGONIST" "Tclin" "Homo sapiens" +"benzquinamide" 331 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 8.32 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7124" "INHIBITOR" "Tclin" "Homo sapiens" +"benzthiazide" 332 "Solute carrier family 12 member 3" "Transporter" "P55017" "SLC12A3" "S12A3_HUMAN" 8.17 "A2" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201039" "INHIBITOR" "Tclin" "Homo sapiens" +"benzthiazide" 332 "Calcium-activated potassium channel subunit alpha-1" "Ion channel" "Q12791" "KCNMA1" "KCMA1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"benzthiazide" 332 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"benzthiazide" 332 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"benzthiazide" 332 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"benzatropine" 333 "Sodium-dependent neutral amino acid transporter B(0)AT1" "Unclassified" "Q695T7" "SLC6A19" "S6A19_HUMAN" 4.36 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7601" "INHIBITOR" "Homo sapiens" +"benzatropine" 333 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 8.5528 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"benzatropine" 333 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.9586 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"benzatropine" 333 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 8.9586 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"benzatropine" 333 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 8.8539 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"benzatropine" 333 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 9.6364 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200383" "ANTAGONIST" "Tclin" "Homo sapiens" +"benzatropine" 333 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.690369833 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"benzatropine" 333 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.229147988 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"benzatropine" 333 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.860435734 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"benzatropine" 333 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.156767222 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"benzatropine" 333 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.896196279 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"benzatropine" 333 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.494850022 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"benzatropine" 333 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.888065724 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"benzatropine" 333 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.522878745 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"benzatropine" 333 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.653647026 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"benzatropine" 333 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.92628165 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"benzatropine" 333 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.244125144 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"benzatropine" 333 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.585026652 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"benzatropine" 333 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.387216143 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"benzatropine" 333 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.950781977 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"benzatropine" 333 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 5.29 "Ki" "Binding affinity against serotonin transporter using [125]RTI-55" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200383" "Rattus norvegicus" +"benzatropine" 333 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 6.93 "Ki" "Displacement of [3H]WIN-35428 binding to the dopamine transporter in rat caudate putamen tissue." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200383" "Rattus norvegicus" +"benzatropine" 333 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 9.23 "Ki" "Displacement of [3H]pirenzepine binding at Muscarinic acetylcholine receptor M1 in rat brain P2 membranes." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200383" "Rattus norvegicus" +"benzatropine" 333 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 4.62 "IC50" "Binding affinity of [3H]citalopram for serotonin transporter in monkey" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200383" "Tclin" "Homo sapiens" +"benzatropine" 333 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 8.59 "Ki" "Affinity for rat M1 acetylcholine receptor using [3H]-AF DX 384 displacement." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200383" "Rattus norvegicus" +"benzatropine" 333 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.9586 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"benzatropine" 333 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 7.2533 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"benzatropine" 333 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 6.85 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200383" "Rattus norvegicus" +"benzyl benzoate" 335 "Hormone-sensitive lipase" "Enzyme" "P15304" "Lipe" "LIPS_RAT" 5.96 "IC50" "Inhibition of HSL in Wistar rat isolated fat cells by spectrophotometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1239" "Rattus norvegicus" +"benzyl benzoate" 335 "Beta-lactamase" "Enzyme" "P00811" "ampC" "AMPC_ECOLI" 4.05 "IC50" "Compound was tested for the inhibition of beta-lactamase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1239" "Escherichia coli (strain K12)" +"bepotastine" 341 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB04890" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201758" "ANTAGONIST" "Tclin" "Homo sapiens" +"bepridil" 342 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/1281221" "http://www.ncbi.nlm.nih.gov/pubmed/1281221" "BLOCKER" "Tclin" "Homo sapiens" +"bepridil" 342 "Voltage-dependent L-type calcium channel subunit alpha-1D" "Ion channel" "Q01668" "CACNA1D" "CAC1D_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/1281221" "http://www.ncbi.nlm.nih.gov/pubmed/1281221" "BLOCKER" "Tclin" "Homo sapiens" +"bepridil" 342 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 5.1487 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1008" "BLOCKER" "Tclin" "Homo sapiens" +"bepridil" 342 "Voltage-dependent P/Q-type calcium channel subunit alpha-1A" "Ion channel" "O00555" "CACNA1A" "CAC1A_HUMAN" 6.6 "Ki" "WOMBAT-PK" "=" "BLOCKER" "Tchem" "Homo sapiens" +"bepridil" 342 "Potassium voltage-gated channel subfamily KQT member 4" "Ion channel" "P56696" "KCNQ4" "KCNQ4_HUMAN" 5 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2337" "BLOCKER" "Tclin" "Homo sapiens" +"bepridil" 342 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4" "Ion channel" "Q9Y3Q4" "HCN4" "HCN4_HUMAN" 5.3098 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"bepridil" 342 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.26 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"bepridil" 342 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"bepridil" 342 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "P15381" "CACNA1C" "CAC1C_RABIT" 4.66 "IC50" "Inhibition of [3H]nitrendipine binding to calcium channels in Rabbit cardiac muscle." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1008" "Oryctolagus cuniculus" +"bepridil" 342 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 6.08 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1008" "Tclin|Tclin|Tclin" "Homo sapiens" +"bepridil" 342 "Lethal factor" "Enzyme" "P15917" "lef" "LEF_BACAN" 5.32 "IC50" "Protection against Bacillus anthracis lethal toxin-mediated cytotoxicity in mouse RAW264.7 cells assessed as change in viability after 24 hrs by WST1 dye reduction assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1008" "Bacillus anthracis" +"bepridil" 342 "Potassium channel subfamily T member 1" "Unclassified" "Q9Z258" "Kcnt1" "KCNT1_RAT" 6 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2337" "GATING INHIBITOR" "Rattus norvegicus" +"beraprost" 343 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P35408" "PTGER4" "PE2R4_HUMAN" 5.14 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1967" "AGONIST" "Tclin" "Homo sapiens" +"beraprost" 343 "Prostacyclin receptor" "GPCR" "P43119" "PTGIR" "PI2R_HUMAN" 8.37 "IC50" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/Orphan_designation/2009/10/WC500005871.pdf" "AGONIST" "Tclin" "Homo sapiens" +"beraprost" 343 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P43115" "PTGER3" "PE2R3_HUMAN" 6.17 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1967" "AGONIST" "Tclin" "Homo sapiens" +"beraprost" 343 "Prostacyclin receptor" "Unclassified" "P43252" "Ptgir" "PI2R_MOUSE" 7.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1967" "AGONIST" "Mus musculus" +"beraprost" 343 "Prostacyclin receptor" "Unclassified" "P43253" "Ptgir" "PI2R_RAT" 7.72 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1967" "AGONIST" "Rattus norvegicus" +"betacarotene" 345 "Core protein" "Unclassified" "Q2Q167" "Q2Q167_9HEPC" 4.53 "IC50" "Not Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1293" "Hepatitis C virus" +"betahistine" 346 "Histamine H3 receptor" "GPCR" "Q9QYN8" "Hrh3" "HRH3_RAT" 5.69 "Ki" "Binding affinity to rat histamine H3 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24441" "Rattus norvegicus" +"betahistine" 346 "Histamine H3 receptor" "GPCR" "Q9Y5N1" "HRH3" "HRH3_HUMAN" 9.52287864685059 "EC50" "[125I]Iodoproxyfan binding to H3 receptors in CHO cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/20530654" "http://www.ncbi.nlm.nih.gov/pubmed/20530654" "INVERSE AGONIST" "Tclin" "Homo sapiens" +"betaine" 347 "homocysteine" "Unnatural amino acid" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2010/020576s010lbl.pdf" "OTHER" +"betamethasone" 348 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.07 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL632" "AGONIST" "Tclin" "Homo sapiens" +"betamethasone" 348 "Annexin A1" "Cytosolic other" "P04083" "ANXA1" "ANXA1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"betamethasone acetate" 349 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action; CHEMBL2034; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200538" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200538" "AGONIST" "Tclin" "Homo sapiens" +"betamethasone benzoate" 351 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action; CHEMBL2034; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200376" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200376" "AGONIST" "Tclin" "Homo sapiens" +"betamethasone dipropionate" 353 "Glucocorticoid receptor" "Transcription factor" "P06536" "Nr3c1" "GCR_RAT" 8.28 "IC50" "Competitive displacement of [3H]dexamethasone from glucocorticoid receptor of rat liver cytosol" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200384" "Rattus norvegicus" +"betamethasone dipropionate" 353 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action; CHEMBL2034; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200384" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200384" "AGONIST" "Tclin" "Homo sapiens" +"betamethasone valerate" 354 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action; CHEMBL2034; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1497" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1497" "AGONIST" "Tclin" "Homo sapiens" +"betamipron" 355 "Solute carrier family 22 member 8" "Transporter" "Q8TCC7" "SLC22A8" "S22A8_HUMAN" 4.32 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"betamipron" 355 "Solute carrier family 22 member 6" "Transporter" "Q4U2R8" "SLC22A6" "S22A6_HUMAN" 4.62 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"betaxolol" 356 "Beta-2 adrenergic receptor" "GPCR" "Q28044" "ADRB2" "ADRB2_BOVIN" 6.18 "IC50" "Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-2 adrenergic receptor in calf lung membranes." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL423" "Bos taurus" +"betaxolol" 356 "Beta-2 adrenergic receptor" "GPCR" "Q8K4Z4" "Adrb2" "ADRB2_CAVPO" 6.98 "Kd" "In vitro beta-2 adrenergic receptor activity was determined by measuring inhibition of the isoproterenol induced relaxation in isolated guinea pig tracheal chains contracted with PGF2-alpha" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL423" "Cavia porcellus" +"betaxolol" 356 "Beta-1 adrenergic receptor" "GPCR" "B0FL73" "ADRB1" "B0FL73_CAVPO" 8.76 "Kd" "In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea pig atrial preparations" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL423" "Cavia porcellus" +"betaxolol" 356 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 8.8 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL423" "ANTAGONIST" "Tclin" "Homo sapiens" +"betaxolol" 356 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 7.2 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"betazole" 357 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200949" "AGONIST" "Tclin" "Homo sapiens" +"bethanechol" 358 "Muscarinic acetylcholine receptor" "GPCR" "Q8VH26" "GPM3" "Q8VH26_CAVPO" 4.9 "Kd" "Binding affinity to muscarinic M3 receptor in guinea-pig ileum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1482" "Cavia porcellus" +"bethanechol" 358 "Muscarinic receptor 2" "Unclassified" "Q8VH27" "GPM2" "Q8VH27_CAVPO" 6 "EC50" "Agonist activity at muscarinic M3 receptor in albino guinea pig ileum assessed as stimulation of electrically-induced response" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1482" "Cavia porcellus" +"bethanechol" 358 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 4.2 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=297" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1482" "AGONIST" "Tclin" "Homo sapiens" +"bethanechol" 358 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 4 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=297" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1482" "AGONIST" "Tclin" "Homo sapiens" +"bethanechol" 358 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=297" "AGONIST" "Tclin" "Homo sapiens" +"bethanechol" 358 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=297" "AGONIST" "Tclin" "Homo sapiens" +"betanidine" 359 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00217" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201260" "SUBSTRATE" "Tclin" "Homo sapiens" +"bevantolol" 360 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" "WOMBAT-PK" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/2858236" "ANTAGONIST" "Tclin" "Homo sapiens" +"bexarotene" 361 "Retinoic acid receptor RXR-alpha" "Nuclear hormone receptor" "P19793" "RXRA" "RXRA_HUMAN" 7.85 "Kd" "Inhibition of [3H]9-cis-RA binding to baculovirus expressed retinoid receptor RXR alpha" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1023" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1023" "AGONIST" "Tclin" "Homo sapiens" +"bexarotene" 361 "Retinoic acid receptor RXR-beta" "Nuclear hormone receptor" "P28702" "RXRB" "RXRB_HUMAN" 8.23 "Ki" "Selective activity towards retinoid X receptor-beta" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1023" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1023" "AGONIST" "Tclin" "Homo sapiens" +"bexarotene" 361 "Retinoic acid receptor RXR-gamma" "Nuclear hormone receptor" "P48443" "RXRG" "RXRG_HUMAN" 8.08 "Ki" "Selective activity towards retinoid X receptor-gamma" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1023" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1023" "AGONIST" "Tclin" "Homo sapiens" +"bexarotene" 361 "Retinoic acid receptor beta" "Nuclear hormone receptor" "P10826" "RARB" "RARB_HUMAN" 7.3 "Ki" "Selective activity towards retinoic acid receptor-beta" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1023" "Tclin" "Homo sapiens" +"bexarotene" 361 "Retinoic acid receptor alpha" "Nuclear hormone receptor" "P10276" "RARA" "RARA_HUMAN" 6.74 "Ki" "Selective activity towards retinoic acid receptor-alpha" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1023" "Tclin" "Homo sapiens" +"bexarotene" 361 "Retinoic acid receptor RXR-gamma" "Transcription factor" "P28705" "Rxrg" "RXRG_MOUSE" 7.54 "Kd" "Binding affinity to Retinoic acid receptor RXR-gamma was evaluated in a competitive binding assay." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1023" "Mus musculus" +"bexarotene" 361 "Retinoic acid receptor RXR-alpha" "Transcription factor" "P28700" "Rxra" "RXRA_MOUSE" 7.4 "EC50" "Transactivation of Gal4-LBD fused mouse RXRalpha (218 to 467) transfected in african green monkey CV1 cells assessed as luciferase activity at after 6 hrs by Dual-light chemiluminescent assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1023" "Mus musculus" +"bexarotene" 361 "Retinoic acid receptor RXR-alpha" "Unclassified" "Q05343" "Rxra" "RXRA_RAT" 7.4 "EC50" "Agonist activity at RXRalpha in rat RK3E cells assessed as transcriptional activation by luciferase reporter gene assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1023" "Rattus norvegicus" +"bexarotene" 361 "Retinoic acid receptor RXR-beta" "Transcription factor" "P28704" "Rxrb" "RXRB_MOUSE" 7.68 "Kd" "Binding affinity to Retinoic acid receptor RXR-beta was determined in a competitive binding assay." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1023" "Mus musculus" +"bexarotene" 361 "Retinoic acid receptor gamma" "Nuclear hormone receptor" "P13631" "RARG" "RARG_HUMAN" 6.89 "Ki" "Selective activity towards retinoic acid receptor-gamma" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1023" "Tclin" "Homo sapiens" +"bexarotene" 361 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 5.52 "IC50" "Measured using a TR-FRET competitive displacement assay." "IUPHAR" "~" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2807" "ANTAGONIST" "Tclin" "Homo sapiens" +"bezafibrate" 362 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 4.3 "EC50" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2668" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2668" "AGONIST" "Tclin" "Homo sapiens" +"bezafibrate" 362 "Lipoprotein lipase" "Enzyme" "P06858" "LPL" "LIPL_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"bezafibrate" 362 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 4.1778 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"bezafibrate" 362 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 4.35 "Ki" "Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP low binding affinity site expressed in Escherichia coli BL21 by competitive fluorescence displacement assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL264374" "Rattus norvegicus" +"bezafibrate" 362 "Peroxisome proliferator-activated receptor delta" "Nuclear hormone receptor" "Q03181" "PPARD" "PPARD_HUMAN" 4.45 "EC50" "Agonist activity at human PPARdelta expressed in HEK293 cells cotransfected with PPREx4-TK-luc assessed as activation of luciferase activity measured after 48 hrs by transactivation assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL264374" "Tchem" "Homo sapiens" +"bezafibrate" 362 "Fatty acid-binding protein, intestinal" "Cytosolic other" "P12104" "FABP2" "FABPI_HUMAN" 4.48 "Ki" "Displacement of 1-anilinonaphthalene-8-sulphonic acid from I-FABP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL264374" "Tchem" "Homo sapiens" +"bezafibrate" 362 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P04035" "HMGCR" "HMDH_HUMAN" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/2907502" "http://www.ncbi.nlm.nih.gov/pubmed/2907502" "INHIBITOR" "Tclin" "Homo sapiens" +"biapenem" 365 "Penicillin-binding protein 2" "Enzyme" "Q9X6V3" "pbpA" "Q9X6V3_PSEAI" "WOMBAT-PK" "Pseudomonas aeruginosa" +"biapenem" 365 "Penicillin-binding protein 4" "Enzyme" "Q5D1E9" "Q5D1E9_STAAU" "WOMBAT-PK" "Staphylococcus aureus" +"biapenem" 365 "D-ala-D-ala-carboxypeptidase; D-alanyl-D-alanine carboxypeptidase; D-alanyl-D-alanine carboxypeptidase family protein; Penicillin-binding protein 5" "Enzyme" "Q9X6V7" "dacA" "Q9X6V7_PSEAI" "WOMBAT-PK" "Pseudomonas aeruginosa" +"biapenem" 365 "Penicillin-binding protein 1" "Enzyme" "A1KS91" "ponA" "A1KS91_NEIMF" "WOMBAT-PK" "Neisseria meningitidis serogroup C / serotype 2a (strain ATCC 700532 / DSM 15464 / FAM18)" +"biapenem" 365 "D-alanyl-D-alanine carboxypeptidase; D-alanyl-D-alanine carboxypeptidase penicillin-binding protein 6" "Enzyme" "Q7CHG0" "dacC" "Q7CHG0_YERPE" "WOMBAT-PK" "Yersinia pestis" +"bicalutamide" 367 "Progesterone receptor" "Transcription factor" "P06186" "PGR" "PRGR_RABIT" 5.25 "IC50" "Displacement of [3H]progesterone from rabbit PR by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL409" "Oryctolagus cuniculus" +"bicalutamide" 367 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 7.72 "Ki" "Inhibition of human AR" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL409" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL409" "ANTAGONIST" "Tclin" "Homo sapiens" +"bicalutamide" 367 "Progesterone receptor" "Transcription factor" "Q63449" "Pgr" "PRGR_RAT" 5.14 "Ki" "Inhibition of rat PR" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL409" "Rattus norvegicus" +"bicalutamide" 367 "Androgen receptor" "Transcription factor" "P19091" "Ar" "ANDR_MOUSE" 6.17 "IC50" "Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferation by WST1 assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL409" "Mus musculus" +"bicalutamide" 367 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 7.85 "Ki" "Inhibition of rat AR" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL409" "Rattus norvegicus" +"bicalutamide" 367 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL409" "Tchem" "Homo sapiens" +"bifemelane" 369 "Lethal(3)malignant brain tumor-like protein 1" "Unclassified" "Q9Y468" "L3MBTL1" "LMBL1_HUMAN" 4.04 "IC50" "Inhibition of L3MBTL1 by alpha-screening" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1192517" "Tchem" "Homo sapiens" +"bifonazole" 370 "Lanosterol 14-alpha demethylase" "Enzyme" "Q16850" "CYP51A1" "CP51A_HUMAN" 6.47 "IC50" "Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL277535" "Tchem" "Homo sapiens" +"bifonazole" 370 "Steroid 17-alpha-hydroxylase/17,20 lyase" "Enzyme" "P05093" "CYP17A1" "CP17A_HUMAN" 7.25 "Ki" "In vitro inhibition of human Cytochrome P450 17A1 activity" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL277535" "Tclin" "Homo sapiens" +"bifonazole" 370 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P14902" "IDO1" "I23O1_HUMAN" 4.6399998664856 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL277535" "Tchem" "Homo sapiens" +"bimatoprost" 371 "Prostaglandin F2-alpha receptor" "GPCR" "P43088" "PTGFR" "PF2R_HUMAN" 5.3 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200963" "AGONIST" "Tclin" "Homo sapiens" +"biotin" 373 "Insulin-degrading enzyme" "Enzyme" "P14735" "IDE" "IDE_HUMAN" 5.59999990463257 "EC50" "PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-based biochemical high throughput dose response assay for activators of recombinant IDE. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493087, AID493124, AID588439, AID588440, AID588442]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL857" "Tchem" "Homo sapiens" +"biperiden" 374 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 8.20065975189209 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"biperiden" 374 "Neuronal acetylcholine receptor subunit alpha-2" "Ion channel" "Q15822" "CHRNA2" "ACHA2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"biperiden" 374 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 9.32 "Kd" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7128" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1101" "ANTAGONIST" "Tclin" "Homo sapiens" +"biperiden" 374 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 8.2 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7128" "ANTAGONIST" "Tclin" "Homo sapiens" +"biperiden" 374 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 8.41 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7128" "ANTAGONIST" "Tclin" "Homo sapiens" +"biperiden" 374 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.62 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7128" "ANTAGONIST" "Tclin" "Homo sapiens" +"bisacodyl" 375 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.755722879 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"bisacodyl" 375 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 6.010995384 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"bisacodyl" 375 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"bisantrene" 376 "NAD(P)H dehydrogenase [quinone] 1" "Enzyme" "P15559" "NQO1" "NQO1_HUMAN" 4.6 "IC50" "Inhibition of human recombinant NQO1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL25336" "Tchem" "Homo sapiens" +"bisoprolol" 380 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 7.65 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL645" "ANTAGONIST" "Tclin" "Homo sapiens" +"bisoprolol" 380 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.04 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"bisoprolol" 380 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.94 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"bisulepine" 383 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "Mechanism of Action" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D07532" "http://www.kegg.jp/entry/D07532" "ANTAGONIST" "Tclin" "Homo sapiens" +"bitolterol" 384 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" "Mechanism of Action; CHEMBL210; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200405" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200405" "AGONIST" "Tclin" "Homo sapiens" +"bivalirudin" 385 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 8.6 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6470" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2103749" "INHIBITOR" "Tclin" "Homo sapiens" +"blonanserin" 388 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.54 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"blonanserin" 388 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.25 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"blonanserin" 388 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.85387229919434 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/15686911" "http://www.ncbi.nlm.nih.gov/pubmed/15686911" "ANTAGONIST" "Tclin" "Homo sapiens" +"blonanserin" 388 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.09151458740234 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/15686911" "http://www.ncbi.nlm.nih.gov/pubmed/15686911" "ANTAGONIST" "Tclin" "Homo sapiens" +"bopindolol" 389 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.815308569 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"bopindolol" 389 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.344861565 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"bopindolol" 389 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.013676223 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"bopindolol" 389 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 6.463441557 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"bopindolol" 389 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.261504838 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"bopindolol" 389 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 9.65 "Ki" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/11314603" "ANTAGONIST" "Tclin" "Homo sapiens" +"bopindolol" 389 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 9.51 "Ki" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/11314603" "ANTAGONIST" "Tclin" "Homo sapiens" +"bopindolol" 389 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.57 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL357995" "Rattus norvegicus" +"bortezomib" 391 "Proteasome subunit alpha type-1" "Enzyme" "P25786" "PSMA1" "PSA1_HUMAN" 9.2076 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325041" "INHIBITOR" "Tclin" "Homo sapiens" +"bortezomib" 391 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 4.7447 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"bortezomib" 391 "PH and SEC7 domain-containing protein 1" "Unclassified" "A5PKW4" "PSD" "PSD1_HUMAN" 7.7447 "Ki" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"bortezomib" 391 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 4.89 "Ki" "Inhibitory activity against thrombin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325041" "Tclin" "Homo sapiens" +"bortezomib" 391 "Cathepsin G" "Enzyme" "P08311" "CTSG" "CATG_HUMAN" 6.2 "Ki" "Inhibitory activity against human cathepsin G" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325041" "Tchem" "Homo sapiens" +"bortezomib" 391 "Lysosomal protective protein" "Enzyme" "P10619" "CTSA" "PPGB_HUMAN" 5.04 "IC50" "Inhibition of recombinant cathepsin A (unknown origin) using Mca-Arg-Pro-Pro-Gly-Phe-Ser-Ala-Phe-Lys(Dnp)-OH as substrate incubated with enzyme for 5 mins prior to substrate challenge for 2 hrs by spectrofluorometer analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325041" "Tchem" "Homo sapiens" +"bortezomib" 391 "Alpha-chymotrypsin" "Unclassified" "P00766" "CTRA_BOVIN" 5.62 "Ki" "Inhibition of bovine pancreatic alpha-chymotrypsin using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325041" "Bos taurus" +"bortezomib" 391 "Chymase" "Enzyme" "P23946" "CMA1" "CMA1_HUMAN" 5.92 "IC50" "Inhibition of human chymase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325041" "Tchem" "Homo sapiens" +"bortezomib" 391 "Chymotrypsinogen B" "Enzyme" "P17538" "CTRB1" "CTRB1_HUMAN" 6.49 "Ki" "Inhibitory activity against human Chymotrypsinogen" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325041" "Tchem" "Homo sapiens" +"bortezomib" 391 "Proteasome subunit beta type-1" "Enzyme" "P20618" "PSMB1" "PSB1_HUMAN" 7.28 "IC50" "Reversible inhibition of human erythrocyte derived 20S proteasome subunit beta1 after 30 mins by fluorogenic assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325041" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325041" "INHIBITOR" "Tclin" "Homo sapiens" +"bortezomib" 391 "Proteasome subunit beta type-5" "Enzyme" "P28074" "PSMB5" "PSB5_HUMAN" 9.26 "Ki" "Inhibition of 20S proteasome beta5 subunit (unknown origin) assessed as formation of reversible adduct with N-terminal threonine" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325041" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325041" "INHIBITOR" "Tclin" "Homo sapiens" +"bortezomib" 391 "Proteasome subunit beta type-2" "Enzyme" "P49721" "PSMB2" "PSB2_HUMAN" 6.23 "IC50" "Reversible inhibition of human erythrocyte derived 20S proteasome subunit beta2 after 30 mins by fluorogenic assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325041" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325041" "INHIBITOR" "Tclin" "Homo sapiens" +"bortezomib" 391 "Nuclear factor NF-kappa-B complex" "Unclassified" "P19838|Q00653|Q04206" "NFKB1|NFKB2|RELA" "NFKB1_HUMAN|NFKB2_HUMAN|TF65_HUMAN" 8.01 "IC50" "Inhibition of NFkappaB in HEK293 cells incubated for 1 hr prior to TNF-alpha challenge measured after 3 hrs by luciferase reporter gene assay relative to control" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325041" "Tchem|Tchem|Tchem" "Homo sapiens" +"bortezomib" 391 "Proteasome subunit beta type-8" "Enzyme" "P28062" "PSMB8" "PSB8_HUMAN" 8.09 "IC50" "Inhibition of chymotrypsin-like activity of LMP7 immunoproteasome by proteasome active site ELISA" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325041" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325041" "INHIBITOR" "Tclin" "Homo sapiens" +"bortezomib" 391 "Neutrophil elastase" "Enzyme" "P08246" "ELANE" "ELNE_HUMAN" 5.64 "Ki" "Inhibitory activity against human leukocyte elastase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325041" "Tclin" "Homo sapiens" +"bortezomib" 391 "26S proteasome non-ATPase regulatory subunit 1" "Cytosolic other" "Q99460" "PSMD1" "PSMD1_HUMAN" 7.7447 "Ki" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"bosentan" 392 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"bosentan" 392 "Endothelin-1 receptor" "GPCR" "P26684" "Ednra" "EDNRA_RAT" 8.19 "Ki" "Binding affinity towards Endothelin A receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL957" "Rattus norvegicus" +"bosentan" 392 "Endothelin-1 receptor" "GPCR" "Q29010" "EDNRA" "EDNRA_PIG" 8.12 "IC50" "In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL957" "Sus scrofa" +"bosentan" 392 "Endothelin-1 receptor" "GPCR" "P25101" "EDNRA" "EDNRA_HUMAN" 8.19 "Ki" "Ability to displace endothelin ([125I]ET1) from human Endothelin A receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL957" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL957" "ANTAGONIST" "Tclin" "Homo sapiens" +"bosentan" 392 "Endothelin B receptor" "GPCR" "P24530" "EDNRB" "EDNRB_HUMAN" 7.1 "Ki" "Inhibitory activity against human endothelin B receptor expressed in CHO cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL957" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL957" "ANTAGONIST" "Tclin" "Homo sapiens" +"bosentan" 392 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 4.42000007629395 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL957" "Tchem" "Homo sapiens" +"bosentan" 392 "Bile salt export pump" "Unclassified" "O70127" "Abcb11" "ABCBB_RAT" 4.51 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL957" "Rattus norvegicus" +"bosentan" 392 "Endothelin B receptor" "Unclassified" "P21451" "Ednrb" "EDNRB_RAT" 7.02 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL957" "Rattus norvegicus" +"bretylium" 394 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" "Mechanism of Action; CHEMBL222; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1095292" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1095292" "SUBSTRATE" "Tclin" "Homo sapiens" +"bretylium" 394 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"bretylium" 394 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"brimonidine" 395 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 8.4685 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL844" "AGONIST" "Tclin" "Homo sapiens" +"brimonidine" 395 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.836242476 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"brimonidine" 395 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.072629637 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"brimonidine" 395 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 7.52 "Ki" "Binding affinity towards alpha-2 adrenergic receptor in rat using [3H]rauwolscine as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL844" "Rattus norvegicus" +"brimonidine" 395 "Alpha-2B adrenergic receptor" "GPCR" "P19328" "Adra2b" "ADA2B_RAT" 7.28 "Ki" "Displacement of rauwolscine from rat Alpha-2B adrenergic receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL844" "Rattus norvegicus" +"brimonidine" 395 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 6.13 "Ki" "Binding affinity against alpha-1 adrenergic receptor in rat using [3H]prazosin as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL844" "Rattus norvegicus" +"brimonidine" 395 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.2596 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL844" "AGONIST" "Tclin" "Homo sapiens" +"brimonidine" 395 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 8.3872 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL844" "AGONIST" "Tclin" "Homo sapiens" +"brimonidine" 395 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.59 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL844" "Rattus norvegicus" +"brimonidine" 395 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 5.55 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL844" "Tclin" "Homo sapiens" +"brimonidine" 395 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 5.27 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL844" "Tclin" "Homo sapiens" +"brinzolamide" 396 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 9.9 "Ki" "Inhibition of human recombinant carbonic anhydrase 2 by dansylamide (DNSA) competition assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220491" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220491" "INHIBITOR" "Tclin" "Homo sapiens" +"brinzolamide" 396 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 8 "Ki" "Inhibition of mouse full length carbonic anhydrase 13 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220491" "Mus musculus" +"brinzolamide" 396 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 8.52 "Ki" "Inhibitory activity against catalytic domain of human carbonic anhydrase XII" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220491" "Tclin" "Homo sapiens" +"brinzolamide" 396 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.4 "Ki" "Inhibition of human full length carbonic anhydrase 4 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220491" "Tclin" "Homo sapiens" +"brinzolamide" 396 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 7.96 "Ki" "Inhibition of human carbonic anhydrase13 preincubated for 15 mins by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220491" "Tclin" "Homo sapiens" +"brinzolamide" 396 "Alpha carbonic anhydrase" "Unclassified" "B5SU02" "CA" "B5SU02_9CNID" 7.32 "Ki" "Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220491" "Stylophora pistillata" +"brinzolamide" 396 "Probable transmembrane carbonic anhydrase (Carbonate dehydratase) (Carbonic dehydratase); Transmembrane carbonic anhydrase" "Enzyme" "P96878" "P96878_MYCTU" 6.7 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3273 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220491" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"brinzolamide" 396 "Astrosclerin-3" "Unclassified" "A6YCJ1" "A6YCJ1_9METZ" 6.56 "Ki" "Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220491" "Astrosclera willeyana" +"brinzolamide" 396 "Beta-carbonic anhydrase 1" "Enzyme" "P9WPJ7" "mtcA1" "MTCA1_MYCTU" 6.08 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase 1 encoded by Rv1284 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220491" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"brinzolamide" 396 "Carbonic anhydrase" "Unclassified" "C0IX24" "CA2" "C0IX24_9CNID" 6.77 "Ki" "Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220491" "Stylophora pistillata" +"brinzolamide" 396 "Delta carbonic anhydrase" "Unclassified" "Q5U9J1" "ca1" "Q5U9J1_THAWE" 6.93 "Ki" "Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220491" "Thalassiosira weissflogii" +"brinzolamide" 396 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 7.3 "Ki" "Inhibitory activity against human recombinant mitochondrial isozyme CA VA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220491" "Tclin" "Homo sapiens" +"brinzolamide" 396 "Carbonic anhydrase" "Enzyme" "P53615" "NCE103" "CAN_YEAST" 6.94 "Ki" "Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220491" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"brinzolamide" 396 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 7.62 "Ki" "Inhibitory constant against human carbonic anhydrase XIV in CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220491" "Tclin" "Homo sapiens" +"brinzolamide" 396 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 8.55 "Ki" "Ki value against human carbonic anhydrase VII" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220491" "Tclin" "Homo sapiens" +"brinzolamide" 396 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 7.44 "Ki" "Inhibition of human carbonic anhydrase9 preincubated for 15 mins by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220491" "Tclin" "Homo sapiens" +"brinzolamide" 396 "Carbonic anhydrase" "Enzyme" "O24855" "cynT" "CYNT_HELPY" 6.68 "Ki" "Inhibition of Helicobacter pylori recombinant carbonic anhydrase by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220491" "Helicobacter pylori (strain ATCC 700392 / 26695)" +"brinzolamide" 396 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 7.21 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220491" "Mus musculus" +"brinzolamide" 396 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 8.52 "Ki" "Compound was evaluated for binding affinity against human carbonic anhydrase II (hCA -II)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220491" "Tclin" "Homo sapiens" +"brinzolamide" 396 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 7.52 "Ki" "Inhibitory activity against human recombinant mitochondrial isozyme CA VB" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220491" "Tclin" "Homo sapiens" +"brinzolamide" 396 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 8.52 "Ki" "Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220491" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"brinzolamide" 396 "Carbonic anhydrase 2" "Enzyme" "P9WPJ9" "mtcA2" "MTCA2_MYCTU" 6.9 "Ki" "Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220491" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"brinzolamide" 396 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 9.05 "Ki" "Inhibition of full length human recombinant CA VI" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220491" "Tclin" "Homo sapiens" +"brinzolamide" 396 "Carbonic anhydrase 4" "Enzyme" "Q95323" "CA4" "CAH4_BOVIN" 7.35 "Ki" "Inhibitory activity against Carbonic anhydrase IV isolated from bovine lung" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220491" "Bos taurus" +"brinzolamide" 396 "Carbonic anhydrase" "Unclassified" "Q5TU56" "Q5TU56_ANOGA" 7.5 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220491" "Anopheles gambiae" +"brinzolamide" 396 "Carbonic anhydrase" "Enzyme" "Q6FTL6" "Q6FTL6_CANGA" 5.36 "Ki" "Inhibition of recombinant full length Candida glabrata NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220491" "Candida glabrata (strain ATCC 2001 / CBS 138 / JCM 3761 / NBRC 0622 / NRRL Y-65)" +"brivudine" 397 "Thymidine kinase" "Kinase" "Q9QNF7" "TK" "KITH_HHV1" 6.62 "Ki" "Inhibition of Herpes simplex virus 1 recombinant thymidine kinase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL31634" "Human herpesvirus 1" +"brivudine" 397 "Thymidine kinase" "Kinase" "A3RLP8" "UL23" "A3RLP8_CHV1" 4.49 "IC50" "Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL31634" "Cercopithecine herpesvirus 1" +"brivudine" 397 "Thymidine kinase, cytosolic" "Kinase" "P04183" "TK1" "KITH_HUMAN" 7 "Ki" "Binding affinity constant against HSV-1 thymidine kinase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL31634" "Tchem" "Homo sapiens" +"brivudine" 397 "Thymidine kinase" "Kinase" "P06479" "TK" "KITH_HHV1S" 6.52 "IC50" "Binding affinity towards HSV-1 thymidine kinase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL31634" "Human herpesvirus 1 (strain SC16)" +"brodimoprim" 398 "Dihydrofolate reductase" "Enzyme" "P0ABQ4" "folA" "DYR_ECOLI" 8.18 "Ki" "WOMBAT-PK" "=" "Escherichia coli (strain K12)" +"brodimoprim" 398 "Dihydrofolate reductase" "Enzyme" "P16184" "DYR_PNECA" 7.51 "IC50" "Inhibition of Pneumocystis carinii Dihydrofolate Reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL31891" "Pneumocystis carinii" +"brodimoprim" 398 "Dihydrofolate reductase" "Enzyme" "P00381" "folA" "DYR_LACCA" 7.95 "Ki" "Inhibition constant of compound against Lactobacillus casei dihydrofolate reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL31891" "Lactobacillus casei" +"brodimoprim" 398 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "Q07422" "DRTS_TOXGO" 7.77 "IC50" "Inhibition of Toxoplasma gondii Dihydrofolate Reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL31891" "Toxoplasma gondii" +"brodimoprim" 398 "Dihydrofolate reductase" "Enzyme" "P00378" "DHFR" "DYR_CHICK" 4.54 "Ki" "Inhibitory activity against chicken liver dihydrofolate reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL31891" "Gallus gallus" +"brodimoprim" 398 "Dihydrofolate reductase" "Enzyme" "Q920D2" "Dhfr" "DYR_RAT" 7.82 "IC50" "Inhibition of rat liver Dihydrofolate Reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL31891" "Rattus norvegicus" +"brodimoprim" 398 "Dihydrofolate reductase" "Unclassified" "B0BL08" "dfrA17" "B0BL08_ECOLX" 8.53 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL31891" "Escherichia coli" +"brodimoprim" 398 "Dihydrofolate reductase" "Unclassified" "Q8Z9J9" "folA" "Q8Z9J9_SALTI" 8.18 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL31891" "Salmonella typhi" +"bromazepam" 399 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" "Tclin|Tclin|Tclin" "Homo sapiens" +"bromfenac" 401 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 8.29 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL751" "INHIBITOR" "Tclin" "Homo sapiens" +"bromfenac" 401 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 8.4 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL751" "INHIBITOR" "Tclin" "Homo sapiens" +"bromfenac" 401 "Cyclooxygenase" "Enzyme" "O62664|O62698" "PTGS1|PTGS2" "PGH1_BOVIN|PGH2_BOVIN" 7.1 "IC50" "Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL751" "Bos taurus" +"bromhexine" 402 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.602059991 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"bromhexine" 402 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.954285941 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"bromhexine" 402 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.708187313 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"bromhexine" 402 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 7.443697499 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"bromocriptine" 403 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=35" "AGONIST" "Rattus norvegicus" +"bromocriptine" 403 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 8.86 "Ki" "PDSP" "Tclin" "Homo sapiens" +"bromocriptine" 403 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 8 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"bromocriptine" 403 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=35" "AGONIST" "Tchem" "Homo sapiens" +"bromocriptine" 403 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 6.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=35" "ANTAGONIST" "Tchem" "Homo sapiens" +"bromocriptine" 403 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 6.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=35" "AGONIST" "Tchem" "Homo sapiens" +"bromocriptine" 403 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=35" "AGONIST" "Tclin" "Homo sapiens" +"bromocriptine" 403 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.85823677 "Ki" "DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"bromocriptine" 403 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.698970004 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"bromocriptine" 403 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.549750892 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"bromocriptine" 403 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.817870786 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"bromocriptine" 403 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.707743929 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"bromocriptine" 403 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 7.327902142 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"bromocriptine" 403 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.5 "Ki" "WOMBAT-PK" "=" "AGONIST" "Tclin" "Homo sapiens" +"bromocriptine" 403 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.38 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"bromocriptine" 403 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.3 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"bromocriptine" 403 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.9 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"bromocriptine" 403 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 8 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"bromocriptine" 403 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.7 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL493" "AGONIST" "Tclin" "Homo sapiens" +"bromocriptine" 403 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.6 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"bromocriptine" 403 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.5 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"bromocriptine" 403 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.5 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"bromocriptine" 403 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.1 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"bromocriptine" 403 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"bromocriptine" 403 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.13 "Ki" "PDSP" "Tclin" "Homo sapiens" +"bromocriptine" 403 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd2|Drd3|Drd4|Drd5" "DRD1_RAT|DRD2_RAT|DRD3_RAT|DRD4_RAT|DRD5_RAT" 7.55 "IC50" "In vitro affinity for dopamine receptor by displacement of [3H]- apomorphine in rat striatal membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL493" "Rattus norvegicus" +"bromocriptine" 403 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 6.29 "IC50" "Alpha-2 adrenergic receptor activity assessed in vitro for displacement of [3H]clonidine from specific binding sites on rat striatal membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL493" "Rattus norvegicus" +"bromocriptine" 403 "Cerebral cortex alpha adrenergic receptor" "GPCR" "P18130|Q28838" "ADRA1A|ADRA2A" "ADA1A_BOVIN|ADA2A_BOVIN" 6.29 "IC50" "In vitro affinity for alpha adrenergic receptor by displacement of 3[H]clonidine in calf cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL493" "Bos taurus" +"bromocriptine" 403 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 8.4 "Kd" "In vitro affinity at mutant D2 receptor (S197A) in C6 (glioma) cell membranes." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL493" "Rattus norvegicus" +"bromocriptine" 403 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 8.25 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL493" "Rattus norvegicus" +"bromocriptine" 403 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 8.16 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL493" "Rattus norvegicus" +"bromocriptine" 403 "Vesicular glutamate transporter 3" "Unclassified" "Q7TSF2" "Slc17a8" "VGLU3_RAT" 4.66 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL493" "Rattus norvegicus" +"bromocriptine" 403 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 7.5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=35" "AGONIST" "Rattus norvegicus" +"bromazine" 404 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.8861 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200967" "ANTAGONIST" "Tclin" "Homo sapiens" +"bromopride" 406 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 4.17 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"bromopride" 406 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.85 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"bromperidol" 407 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.14630174636841 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"bromperidol" 407 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.11918640136719 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"bromperidol" 407 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.31875896453857 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"bromperidol" 407 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.76955127716065 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"bromperidol" 407 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.74472761154175 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"bromperidol" 407 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 9.02 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"bromperidol" 407 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.8 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"bromperidol" 407 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.155 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"bromperidol" 407 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.5 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"bromperidol" 407 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.1 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"bromperidol" 407 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.43 "Ki" "WOMBAT-PK" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01101" "ANTAGONIST" "Tclin" "Homo sapiens" +"bromperidol" 407 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"brompheniramine" 408 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.21752738952637 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL811" "ANTAGONIST" "Tclin" "Homo sapiens" +"brompheniramine" 408 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.96 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL811" "Tclin|Tclin|Tclin" "Homo sapiens" +"brompheniramine" 408 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.05 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL811" "Tclin" "Homo sapiens" +"brotizolam" 409 "Platelet-activating factor receptor" "GPCR" "P25105" "PTAFR" "PTAFR_HUMAN" 6.52 "IC50" "In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL32479" "Tchem" "Homo sapiens" +"broxyquinoline" 412 "Catechol O-methyltransferase" "Enzyme" "P22734" "Comt" "COMT_RAT" 5.39 "IC50" "Inhibition of Sprague-Dawley rat liver COMT after 10 mins using 0.05 uCi [14CH3]-SAM as substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL223448" "Rattus norvegicus" +"buclizine" 416 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "Mechanism of Action; CHEMBL231; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200403" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200403" "ANTAGONIST" "Tclin" "Homo sapiens" +"budesonide" 419 "Interferon gamma" "Cytokine" "P01579" "IFNG" "IFNG_HUMAN" 9.5 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"budesonide" 419 "Interleukin-5" "Cytokine" "P05113" "IL5" "IL5_HUMAN" 9.92 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"budesonide" 419 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 10.3 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1370" "AGONIST" "Tclin" "Homo sapiens" +"budesonide" 419 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 5.701365217 "IC50" "DRUGMATRIX: Protease, Matrix Metalloprotease-9 (MMP-9) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"budesonide" 419 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.962573502 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"budesonide" 419 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 7.568636236 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"budesonide" 419 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"budesonide" 419 "Interleukin-5" "Unclassified" "P04401" "Il5" "IL5_MOUSE" 4.58 "IC50" "Inhibition of IL5-mediated proliferation of mouse Y16 cells by WST1 assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1370" "Mus musculus" +"budesonide" 419 "Glucocorticoid receptor" "Transcription factor" "P06536" "Nr3c1" "GCR_RAT" 8.54 "IC50" "Steroid binding against the rat thymus glucocorticoid receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1370" "Rattus norvegicus" +"budesonide" 419 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 7.85 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7434" "AGONIST" "Tclin" "Homo sapiens" +"budesonide" 419 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 7.55 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7434" "AGONIST" "Tclin" "Homo sapiens" +"budipine" 420 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.07 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL334491" "Tclin" "Homo sapiens" +"budipine" 420 "Glutamate [NMDA] receptor" "Ion channel" "O15399|O60391|Q05586|Q12879|Q13224|Q14957|Q8TCU5" "GRIN1|GRIN2A|GRIN2B|GRIN2C|GRIN2D|GRIN3A|GRIN3B" "NMD3A_HUMAN|NMD3B_HUMAN|NMDE1_HUMAN|NMDE2_HUMAN|NMDE3_HUMAN|NMDE4_HUMAN|NMDZ1_HUMAN" 4.93 "Ki" "The compound was tested for its ability to block PCP N-methyl-D-aspartate glutamate receptor at the PCP (phencyclidine) binding site in postmortem human frontal cortex." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL334491" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"buflomedil" 422 "3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase" "Enzyme" "Q15125" "EBP" "EBP_HUMAN" 7.22 "Ki" "Affinity for human EMP expressed in ERG2 deficient strain of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL188921" "Tchem" "Homo sapiens" +"buflomedil" 422 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 5.89 "Ki" "Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL188921" "Tclin" "Homo sapiens" +"buflomedil" 422 "C-8 sterol isomerase" "Enzyme" "P32352" "ERG2" "ERG2_YEAST" 5.15 "Ki" "Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL188921" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"buflomedil" 422 "Voltage-dependent calcium channel gamma-1 subunit" "Ion channel" "Q06432" "CACNG1" "CCG1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"buflomedil" 422 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"buflomedil" 422 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"buflomedil" 422 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"buflomedil" 422 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"buflomedil" 422 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"bufuralol" 424 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 4.59 "Ks" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"bufuralol" 424 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 8.8 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"bufuralol" 424 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 8.2 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"bufuralol" 424 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"bumetanide" 427 "Sodium/potassium-transporting ATPase subunit alpha-1" "Transporter" "P05023" "ATP1A1" "AT1A1_HUMAN" 7.52 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"bumetanide" 427 "Solute carrier family 12 member 1" "Transporter" "Q13621" "SLC12A1" "S12A1_HUMAN" 7.6 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1072" "INHIBITOR" "Tclin" "Homo sapiens" +"bumetanide" 427 "Solute carrier family 12 member 2" "Transporter" "P55011" "SLC12A2" "S12A2_HUMAN" 5.6 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4837" "INHIBITOR" "Tclin" "Homo sapiens" +"bumetanide" 427 "G-protein coupled receptor 35" "GPCR" "Q9HC97" "GPR35" "GPR35_HUMAN" 5.54 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4837" "AGONIST" "Tchem" "Homo sapiens" +"bunazosin" 429 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" "WOMBAT-PK" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01887" "ANTAGONIST" "Tclin" "Homo sapiens" +"bunazosin" 429 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01887" "ANTAGONIST" "Tclin" "Homo sapiens" +"bunazosin" 429 "Ribosyldihydronicotinamide dehydrogenase [quinone]" "Enzyme" "P16083" "NQO2" "NQO2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"bunazosin" 429 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"levobunolol" 431 "Beta-3 adrenergic receptor" "Unclassified" "P25962" "Adrb3" "ADRB3_MOUSE" 6.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=570" "ANTAGONIST" "Mus musculus" +"levobunolol" 431 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 8.399027104 "Ki" "DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201177" "ANTAGONIST" "Tclin" "Homo sapiens" +"levobunolol" 431 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 9.262807357 "Ki" "DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201177" "ANTAGONIST" "Tclin" "Homo sapiens" +"levobunolol" 431 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.488116639 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"levobunolol" 431 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.584692708 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"levobunolol" 431 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.780415474 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"levobunolol" 431 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 6.59345982 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"levobunolol" 431 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.54 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201177" "Rattus norvegicus" +"levobunolol" 431 "Beta-3 adrenergic receptor" "Unclassified" "P26255" "Adrb3" "ADRB3_RAT" 6.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=570" "ANTAGONIST" "Rattus norvegicus" +"bupivacaine" 432 "Sodium channel protein type 4 subunit alpha" "Ion channel" "P35499" "SCN4A" "SCN4A_HUMAN" 6 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1098" "BLOCKER" "Tclin" "Homo sapiens" +"bupivacaine" 432 "Potassium voltage-gated channel subfamily A member 5" "Ion channel" "P22460" "KCNA5" "KCNA5_HUMAN" 5.4 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2397" "BLOCKER" "Tclin" "Homo sapiens" +"bupivacaine" 432 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.397940009 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"bupivacaine" 432 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.66 "IC50" "Inhibition of wild-type human ERG channel expressed in CHO cells by whole-cell patch clamp technique" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1098" "Tclin" "Homo sapiens" +"bupivacaine" 432 "Potassium voltage-gated channel subfamily D member 3" "Ion channel" "Q9UK17" "KCND3" "KCND3_HUMAN" 4.5 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"bupivacaine" 432 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P34995" "PTGER1" "PE2R1_HUMAN" 5.5143 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"bupivacaine" 432 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 4.2328 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"bupivacaine" 432 "Sodium channel protein type 1 subunit alpha" "Ion channel" "P35498" "SCN1A" "SCN1A_HUMAN" 5.2932 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"bupivacaine" 432 "Potassium voltage-gated channel subfamily D member 3" "Unclassified" "Q9Z0V1" "Kcnd3" "KCND3_MOUSE" 4.5 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2397" "BLOCKER" "Mus musculus" +"bupivacaine" 432 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" 5.66 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2397" "BLOCKER" "Tclin" "Homo sapiens" +"bupranolol" 433 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 9.1 "Ki" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=550" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=550" "ANTAGONIST" "Tclin" "Homo sapiens" +"bupranolol" 433 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 9 "Ki" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=550" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=550" "ANTAGONIST" "Tclin" "Homo sapiens" +"bupranolol" 433 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 7.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=550" "ANTAGONIST" "Tclin" "Homo sapiens" +"buprenorphine" 434 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 8.07 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"buprenorphine" 434 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 9.01 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL511142" "ANTAGONIST" "Tclin" "Homo sapiens" +"buprenorphine" 434 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 8.29 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL511142" "PARTIAL AGONIST" "Tclin" "Homo sapiens" +"buprenorphine" 434 "Kappa-type opioid receptor" "GPCR" "P41144" "OPRK1" "OPRK_CAVPO" 9.3 "Ki" "Displacement of [3H]U69593 from KOR in Hartley guinea pig membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL511142" "Cavia porcellus" +"buprenorphine" 434 "Nociceptin receptor" "GPCR" "P41146" "OPRL1" "OPRX_HUMAN" 7.11 "Ki" "Displacement of [3H]-N/OFQ from human nociceptin opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL511142" "Tchem" "Homo sapiens" +"buprenorphine" 434 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.1 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL511142" "Tclin" "Homo sapiens" +"buprenorphine" 434 "Mu-type opioid receptor" "GPCR" "P97266" "OPRM1" "OPRM_CAVPO" 9.4 "Ki" "Displacement of [3H]DAMGO from MOR in Hartley guinea pig membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL511142" "Cavia porcellus" +"buprenorphine" 434 "Delta-type opioid receptor" "GPCR" "P33533" "Oprd1" "OPRD_RAT" 9.32 "Ki" "Displacement of [3H]diprenorphine from rat delta opioid receptor expressed in rat C6 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL511142" "Rattus norvegicus" +"buprenorphine" 434 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 9.89 "Ki" "Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL511142" "Rattus norvegicus" +"bupropion" 435 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.28 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL894" "INHIBITOR" "Tclin" "Homo sapiens" +"bupropion" 435 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 5.699339312 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"bupropion" 435 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 5.846185136 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"bupropion" 435 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 5.91 "IC50" "Compound was tested for its ability to inhibit the neurotransmitter dopamine-DA reuptake system using [3H]dopamine as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL894" "Rattus norvegicus" +"bupropion" 435 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P36544" "CHRNA7" "ACHA7_HUMAN" 4.3 "IC50" "Inhibitory concentration against Nicotinic acetylcholine receptor alpha 7" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL894" "Tchem" "Homo sapiens" +"bupropion" 435 "Neuronal acetylcholine receptor; alpha3/beta2" "Ion channel" "P17787|P32297" "CHRNA3|CHRNB2" "ACHA3_HUMAN|ACHB2_HUMAN" 6 "IC50" "Inhibitory concentration against Nicotinic acetylcholine receptor alpha3-beta2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL894" "Tclin|Tclin" "Homo sapiens" +"bupropion" 435 "Neuronal acetylcholine receptor; alpha3/beta4" "Ion channel" "P30926|P32297" "CHRNA3|CHRNB4" "ACHA3_HUMAN|ACHB4_HUMAN" 5.74 "IC50" "Inhibitory concentration against Nicotinic acetylcholine receptor alpha3-beta4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL894" "Tclin|Tclin" "Homo sapiens" +"bupropion" 435 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.16 "Ki" "Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL894" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL894" "INHIBITOR" "Tclin" "Homo sapiens" +"bupropion" 435 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.04 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"bupropion" 435 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"bupropion" 435 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 4.795880017 "Ki" "PDSP" "Tclin" "Homo sapiens" +"buserelin" 436 "Lutropin-choriogonadotropic hormone receptor" "GPCR" "P22888" "LHCGR" "LSHR_HUMAN" 8.5686 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"buserelin" 436 "Gonadotropin-releasing hormone receptor" "GPCR" "P30968" "GNRHR" "GNRHR_HUMAN" 10.52 "EC50" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3860" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3860" "AGONIST" "Tclin" "Homo sapiens" +"buserelin" 436 "Gonadotropin-releasing hormone receptor" "GPCR" "Q01776" "Gnrhr" "GNRHR_MOUSE" 10.05 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3860" "AGONIST" "Mus musculus" +"buspirone" 437 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.3188 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"buspirone" 437 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"buspirone" 437 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.276544328 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"buspirone" 437 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 5.4710833 "IC50" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"buspirone" 437 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.25 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL49" "PARTIAL AGONIST" "Tclin" "Homo sapiens" +"buspirone" 437 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.68 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"buspirone" 437 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 6.4353 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"buspirone" 437 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.04 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"buspirone" 437 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.41 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"buspirone" 437 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.6 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"buspirone" 437 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.13 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"buspirone" 437 "D(1A) dopamine receptor" "GPCR" "Q95136" "DRD1" "DRD1_BOVIN" 5.21 "Ki" "Inhibition of [3H]SCH-23390 binding to Dopamine receptor D1 of bovine striatum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL49" "Bos taurus" +"buspirone" 437 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.92 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL49" "Tchem" "Homo sapiens" +"buspirone" 437 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 6.86 "Ki" "The compound was tested for its binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]WB-4101 radioligand in rat cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL49" "Rattus norvegicus" +"buspirone" 437 "D(2) dopamine receptor" "GPCR" "P20288" "DRD2" "DRD2_BOVIN" 7.36 "Ki" "Inhibition of [3H]raclopride binding to Dopamine receptor D2 of bovine striatum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL49" "Bos taurus" +"buspirone" 437 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2a|Htr2b|Htr2c" "5HT2A_RAT|5HT2B_RAT|5HT2C_RAT" 6.76 "Ki" "The compound was tested for its binding affinity towards 5-hydroxytryptamine 2 receptor by displacing [3H]ketanserin radioligand in rat cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL49" "Rattus norvegicus" +"buspirone" 437 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd2|Drd3|Drd4|Drd5" "DRD1_RAT|DRD2_RAT|DRD3_RAT|DRD4_RAT|DRD5_RAT" 6.92 "IC50" "Inhibition of [3H]spiperone binding to dopamine receptor from rat corpus striatal membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL49" "Rattus norvegicus" +"buspirone" 437 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 5 "IC50" "Binding affinity against Alpha-2 adrenergic receptor in rat brain membrane using [3H]yohimbine as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL49" "Rattus norvegicus" +"buspirone" 437 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 4.8 "IC50" "Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL49" "Bos taurus" +"buspirone" 437 "Alpha-2A adrenergic receptor" "GPCR" "Q28838" "ADRA2A" "ADA2A_BOVIN" 5 "IC50" "Binding affinity against alpha-2 adrenergic receptor in calf frontal cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL49" "Bos taurus" +"buspirone" 437 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.18 "Ki" "Inhibition of [3H]spiperone binding to Dopamine receptor D3 in bovine cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL49" "Tclin" "Homo sapiens" +"buspirone" 437 "Serotonin 1 (5-HT1) receptor" "GPCR" "P19327|P28564|P28565|P30940" "Htr1a|Htr1b|Htr1d|Htr1f" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT" 7.02 "IC50" "Binding affinity towards hippocampus 5-hydroxytryptamine 1 receptor was measured using radioligand [3H]5-HT" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL49" "Rattus norvegicus" +"buspirone" 437 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 7.77 "Ki" "Inhibition of [3H]5-HT binding to 5-hydroxytryptamine 1B receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL49" "Rattus norvegicus" +"buspirone" 437 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 8.42 "Ki" "Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat hippocampal membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL49" "Rattus norvegicus" +"buspirone" 437 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.4 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL49" "Tclin" "Homo sapiens" +"buspirone" 437 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q9R0C9" "Sigmar1" "SGMR1_RAT" 7.32 "Ki" "Inhibition of [3H]DTG binding to sigma receptor in rat hippocampus" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL49" "Rattus norvegicus" +"buspirone" 437 "5-hydroxytryptamine receptor 2A" "GPCR" "Q75Z89" "HTR2A" "5HT2A_BOVIN" 6.75 "Ki" "Binding affinity against 5-hydroxytryptamine 2 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL49" "Bos taurus" +"buspirone" 437 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 6.92 "Ki" "In vitro ability to inhibit [3H]spiperone binding to dopamine receptor D2 of rat limbic structures" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL49" "Rattus norvegicus" +"buspirone" 437 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 4.34 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL49" "Tchem" "Homo sapiens" +"buspirone" 437 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.77 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL49" "Tchem" "Homo sapiens" +"buspirone" 437 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 6 "IC50" "In vitro binding affinity towards the 5-hydroxytryptamine 1C receptor at 10 e-6 M" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL49" "Rattus norvegicus" +"buspirone" 437 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 6.32 "Ki" "Compound was evaluated for binding affinity against 5-hydroxytryptamine 2A receptor using [3H]ketanserin as a radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL49" "Rattus norvegicus" +"buspirone" 437 "5-hydroxytryptamine receptor 7" "GPCR" "P32304" "Htr7" "5HT7R_MOUSE" 6.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=36" "ANTAGONIST" "Mus musculus" +"buspirone" 437 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 6.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=36" "AGONIST" "Rattus norvegicus" +"busulfan" 438 "DNA" "DNA" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/020954s014lbl.pdf" "OTHER" +"busulfan" 438 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 5.282745687 "IC50" "DRUGMATRIX: Protease, Matrix Metalloprotease-9 (MMP-9) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"secbutabarbital" 439 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL449" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"butalbital" 441 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRB3|GABRG2" "GBRA1_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL454" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"butenafine" 444 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.864358584 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"butenafine" 444 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 5.779499654 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"butenafine" 444 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.124938737 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"butenafine" 444 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.411448194 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"butenafine" 444 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.522878745 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"butenafine" 444 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 5.160704256 "IC50" "DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"butenafine" 444 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.804931004 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"butenafine" 444 "Enoyl-[acyl-carrier-protein] reductase [NADH]" "Enzyme" "Q5NGQ3" "fabI" "Q5NGQ3_FRATT" 4.12 "IC50" "Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed as oxidation of NADH to NAD+ by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL990" "Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)" +"butenafine" 444 "Squalene epoxidase" "Enzyme" "Q4JEY0" "Q4JEY0_TRIRU" "Mechanism of Action; CHEMBL2364679; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL990" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL990" "INHIBITOR" "Trichophyton rubrum" +"butenafine" 444 "Squalene monooxygenase" "Enzyme" "Q92206" "ERG1" "ERG1_CANAL" 7.3468 "IC50" "WOMBAT-PK" "=" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"butoconazole" 450 "Lanosterol 14-alpha demethylase" "Enzyme" "P10613" "ERG11" "CP51_CANAL" "Mechanism of Action; CHEMBL1780; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1295" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1295" "INHIBITOR" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"butorphanol" 454 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 9.92 "Ki" "Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL33986" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL33986" "PARTIAL AGONIST" "Tclin" "Homo sapiens" +"butorphanol" 454 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 7.92 "Ki" "Displacement of [3H]Naltindole from human delta opioid receptor expressed in CHO cell membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL33986" "Tclin" "Homo sapiens" +"butorphanol" 454 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 9.92 "Ki" "Displacement of [3H]DAMGO form human mu opioid receptor expressed in CHO cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL33986" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL33986" "PARTIAL AGONIST" "Tclin" "Homo sapiens" +"butriptyline" 455 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.40450382232666 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"butriptyline" 455 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.86646127700806 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"butriptyline" 455 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.292429824 "Ki" "PDSP" "Tclin" "Homo sapiens" +"scopolamine butylbromide" 458 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"scopolamine butylbromide" 458 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"scopolamine butylbromide" 458 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"scopolamine butylbromide" 458 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"cabergoline" 460 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.2 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=37" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201087" "AGONIST" "Tclin" "Homo sapiens" +"cabergoline" 460 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.1 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=37" "AGONIST" "Tclin" "Homo sapiens" +"cabergoline" 460 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=37" "AGONIST" "Tclin" "Homo sapiens" +"cabergoline" 460 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 8.1 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=37" "AGONIST" "Tclin" "Homo sapiens" +"cabergoline" 460 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=37" "ANTAGONIST" "Tclin" "Homo sapiens" +"cabergoline" 460 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 7.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=37" "AGONIST" "Tchem" "Homo sapiens" +"cabergoline" 460 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=37" "AGONIST" "Tclin" "Homo sapiens" +"cabergoline" 460 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=37" "ANTAGONIST" "Tclin" "Homo sapiens" +"cabergoline" 460 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=37" "AGONIST" "Tchem" "Homo sapiens" +"cabergoline" 460 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.1 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=37" "ANTAGONIST" "Tclin" "Homo sapiens" +"cabergoline" 460 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=37" "AGONIST" "Tclin" "Homo sapiens" +"cabergoline" 460 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 6.5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=37" "ANTAGONIST" "Tclin" "Homo sapiens" +"cabergoline" 460 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=37" "AGONIST" "Tclin" "Homo sapiens" +"cabergoline" 460 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=37" "AGONIST" "Tclin" "Homo sapiens" +"cabergoline" 460 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.22 "Ki" "PDSP" "Tclin" "Homo sapiens" +"cabergoline" 460 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.78 "Ki" "PDSP" "Tclin" "Homo sapiens" +"cabergoline" 460 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.85 "Ki" "Displacement of [125I](+/-)DOI from human 5-HT2B receptor transfected in CHO cell membrane after 60 mins by scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201087" "Tclin" "Homo sapiens" +"cadralazine" 461 "Myeloperoxidase" "Enzyme" "P05164" "MPO" "PERM_HUMAN" 5.301 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"cadralazine" 461 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"caffeine" 463 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 4.33 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tchem" "Homo sapiens" +"caffeine" 463 "Adenosine receptor A2b" "GPCR" "P29275" "ADORA2B" "AA2BR_HUMAN" 4.77 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL113" "ANTAGONIST" "Tclin" "Homo sapiens" +"caffeine" 463 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 4.97 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=407" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL113" "ANTAGONIST" "Tclin" "Homo sapiens" +"caffeine" 463 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform" "Kinase" "O00329" "PIK3CD" "PK3CD_HUMAN" 4.12 "IC50" "Inhibition of PI3Kdelta (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL113" "Tclin" "Homo sapiens" +"caffeine" 463 "Guanine deaminase" "Enzyme" "Q9Y2T3" "GDA" "GUAD_HUMAN" 4.99 "Ki" "Inhibition of GDA by colorimetric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL113" "Tbio" "Homo sapiens" +"caffeine" 463 "Adenosine receptor A1" "GPCR" "P28190" "ADORA1" "AA1R_BOVIN" 4.54 "Ki" "Affinity to A1 adenosine receptor was measured by the displacement of [3H]PIA in bovine brain cortical membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL113" "Bos taurus" +"caffeine" 463 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 4.77 "Ki" "Displacement of [3H]CHA from adenosine A1 receptor in rat brain cortical membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL113" "Rattus norvegicus" +"caffeine" 463 "Adenosine A2a receptor" "Unclassified" "P46616" "ADORA2A" "AA2AR_CAVPO" 4.1 "Ki" "Antagonist binding of N6-cyclohexyl-[3H]-adenosine to guinea pig brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL113" "Cavia porcellus" +"caffeine" 463 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 5.14 "IC50" "Inhibition of human AChE using acetylthiocholine iodide as substrate treated 5 mins before substrate addition measured up to 4 mins by Ellman's method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL113" "Tclin" "Homo sapiens" +"caffeine" 463 "Adenosine receptor A2a" "GPCR" "P30543" "Adora2a" "AA2AR_RAT" 5.03 "Ki" "Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL113" "Rattus norvegicus" +"caffeine" 463 "Adenosine A2 receptor" "GPCR" "P29276|P30543" "Adora2a|Adora2b" "AA2AR_RAT|AA2BR_RAT" 4.57 "Ki" "Binding affinity against adenosine A2 receptor in rat striatal membranes using N-[3H]-ethyladenosin-5''-uronamide as radioligand in the presence of 50 nM cyclopentyladenosine" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL113" "Rattus norvegicus" +"caffeine" 463 "Glycogen phosphorylase, muscle form" "Enzyme" "P00489" "PYGM" "PYGM_RABIT" 4.13 "IC50" "Inhibition of rabbit muscle glycogen phosphorylase A assessed as release of phosphate from glucose-1-phosphate after 25 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL113" "Oryctolagus cuniculus" +"caffeine" 463 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.31 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL113" "Tclin" "Homo sapiens" +"caffeine" 463 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 5.61 "Ki" "Competitive binding affinity to human adenosine A2A receptor expressed in HEK293 cells after 60 mins by fluorescence polarization assay in presence of MRS5346" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL113" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL113" "ANTAGONIST" "Tclin" "Homo sapiens" +"caffeine" 463 "Adenosine receptor A1" "GPCR" "P47745" "ADORA1" "AA1R_CAVPO" 4 "Ki" "Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL113" "Cavia porcellus" +"caffeine" 463 "Adenosine receptor" "GPCR" "P25099|P28647|P29276|P30543" "Adora1|Adora2a|Adora2b|Adora3" "AA1R_RAT|AA2AR_RAT|AA2BR_RAT|AA3R_RAT" 4.22 "Ki" "Antagonist binding of N6-cyclohexyl-[3H]-adenosine to rat testes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL113" "Rattus norvegicus" +"caffeine" 463 "Adenosine receptor A2b" "Unclassified" "Q60614" "Adora2b" "AA2BR_MOUSE" 4.89 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=407" "ANTAGONIST" "Mus musculus" +"calcifediol" 464 "Vitamin D3 receptor" "Nuclear hormone receptor" "P11473" "VDR" "VDR_HUMAN" "Mechanism of Action; CHEMBL1977; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1040" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1040" "AGONIST" "Tclin" "Homo sapiens" +"calcipotriene" 465 "Vitamin D3 receptor" "Nuclear hormone receptor" "P11473" "VDR" "VDR_HUMAN" 9.51 "Kd" "Binding affinity to VDR receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200666" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200666" "AGONIST" "Tclin" "Homo sapiens" +"calcitriol" 466 "Vitamin D3 receptor" "Nuclear hormone receptor" "P11473" "VDR" "VDR_HUMAN" 8.4 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL846" "AGONIST" "Tclin" "Homo sapiens" +"calcitriol" 466 "Vitamin D 25-hydroxylase" "Enzyme" "Q6VVX0" "CYP2R1" "CP2R1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"calcitriol" 466 "25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial" "Enzyme" "O15528" "CYP27B1" "CP27B_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"calcitriol" 466 "Vitamin D3 receptor" "Transcription factor" "Q28037" "VDR" "VDR_BOVIN" 10.3 "EC50" "Displacement of [3H]1,25-(OH)2D3 from bovine thymus vitamin D receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL846" "Bos taurus" +"calcitriol" 466 "Vitamin D3 receptor" "Unclassified" "A3RGC1" "VDR" "VDR_PIG" 10.15 "Kd" "Displacement of [3H]1-alpha,25-(OH)2D3 from VDR in pig intestinal mucosa" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL846" "Sus scrofa" +"calcitriol" 466 "Vitamin D3 receptor" "Transcription factor" "P13053" "Vdr" "VDR_RAT" 10.3 "Ki" "Displacement of [3H]1-alpha,25-(OH)2D3 from rat recombinant full length VDR" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL846" "Rattus norvegicus" +"calcitriol" 466 "Vitamin D3 receptor" "Transcription factor" "O42392" "VDR" "VDR_CHICK" 10.6 "Ki" "Displacement from vitamin D receptor in chick intestine: 50% displacement" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL846" "Gallus gallus" +"calcitriol" 466 "Vitamin D-binding protein" "Secreted" "P02774" "GC" "VTDB_HUMAN" 7.62 "Kd" "Binding affinity to human vitamin D binding protein" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL846" "Tchem" "Homo sapiens" +"calcitriol" 466 "Vitamin D3 receptor A" "Nuclear hormone receptor" "Q9PTN2" "vdra" "VDRA_DANRE" 8.26 "EC50" "Agonist activity at zebrafish gal4-VDR LBD expressed in human MCF7 cells by luciferase reporter gene based transactivation assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL846" "Danio rerio" +"camphor" 470 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 4.3 "Ki" "Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) using acetylthiocholine iodide substrate by Ellman method based colorimetry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL504760" "Electrophorus electricus" +"camphor" 470 "Transient receptor potential cation channel subfamily A member 1" "Unclassified" "Q8BLA8" "Trpa1" "TRPA1_MOUSE" 4.2 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2422" "GATING INHIBITOR" "Mus musculus" +"camostat" 471 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 4.5 "IC50" "Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Phe-Pip-Arg-pNA) thrombin in vitro." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL590799" "Tclin" "Homo sapiens" +"camostat" 471 "Trypsin-1" "Enzyme" "P07477" "PRSS1" "TRY1_HUMAN" 7.3 "IC50" "Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (Boc-Phe-Ser-Arg-AMC) for trypsin in vitro." "CHEMBL" "=" 1 "IUPHAR" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL590799" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6432" "INHIBITOR" "Tclin" "Homo sapiens" +"camostat" 471 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.78 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL590799" "Tchem" "Homo sapiens" +"camostat" 471 "Plasminogen" "Enzyme" "Q01177" "Plg" "PLMN_RAT" 5.58 "IC50" "Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Val-Leu-Lys-pNA) for plasmin in vitro." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL590799" "Rattus norvegicus" +"camostat" 471 "Kallikrein-1" "Enzyme" "P06870" "KLK1" "KLK1_HUMAN" 5.83 "IC50" "Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Pro-Phe-Arg-pNA) for plasma kallikrein in vitro." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL590799" "Tchem" "Homo sapiens" +"camostat" 471 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 4.9 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL590799" "Tchem" "Homo sapiens" +"camostat" 471 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.54 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL590799" "Tchem" "Homo sapiens" +"camostat" 471 "Hepatocyte growth factor activator" "Enzyme" "Q04756" "HGFAC" "HGFA_HUMAN" 4.48999977111816 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL590799" "Tchem" "Homo sapiens" +"candesartan cilexetil" 475 "Type-1 angiotensin II receptor" "GPCR" "P30556" "AGTR1" "AGTR1_HUMAN" "UNKNOWN" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1014" "ANTAGONIST" "Tclin" "Homo sapiens" +"candesartan cilexetil" 475 "Cruzipain" "Enzyme" "P25779" "CYSP_TRYCR" 4.38 "IC50" "Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in absence of Triton X-100" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1014" "Trypanosoma cruzi" +"candesartan cilexetil" 475 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 6.15999984741211 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1014" "Tchem" "Homo sapiens" +"candesartan cilexetil" 475 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.76000022888184 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1014" "Tclin" "Homo sapiens" +"candesartan cilexetil" 475 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.51999998092651 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1014" "Tchem" "Homo sapiens" +"candesartan cilexetil" 475 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.51999998092651 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1014" "Tclin" "Homo sapiens" +"candesartan cilexetil" 475 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.51000022888184 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1014" "Tchem" "Homo sapiens" +"candesartan cilexetil" 475 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.48999977111816 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1014" "Tclin" "Homo sapiens" +"candesartan cilexetil" 475 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.48000001907349 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1014" "Tclin" "Homo sapiens" +"candesartan cilexetil" 475 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.23000001907349 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1014" "Tclin" "Homo sapiens" +"candesartan cilexetil" 475 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.05000019073486 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1014" "Tclin" "Homo sapiens" +"candesartan cilexetil" 475 "Type-1 angiotensin II receptor" "GPCR" "P25104" "AGTR1" "AGTR1_BOVIN" 6.96 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1014" "Bos taurus" +"candesartan cilexetil" 475 "Type-1 angiotensin II receptor" "GPCR" "P34976" "AGTR1" "AGTR1_RABIT" 9.19 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1014" "Oryctolagus cuniculus" +"canrenone" 478 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 6.52287864685059 "IC50" "inhibitION the aldosterone-induced MR activity" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/15716462" "http://www.ncbi.nlm.nih.gov/pubmed/21771637" "ANTAGONIST" "Tclin" "Homo sapiens" +"capecitabine" 480 "Thymidylate synthase" "Enzyme" "P04818" "TYMS" "TYSY_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1773" "INHIBITOR" "Tclin" "Homo sapiens" +"captopril" 484 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 8.7 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1560" "INHIBITOR" "Tclin" "Homo sapiens" +"captopril" 484 "Beta-lactamase" "Enzyme" "Q79MP6" "blaIMP-1" "Q79MP6_PSEAI" 5.62 "Ki" "Inhibition of recombinant Pseudomonas aeruginosa MBL IMP-1 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1560" "Pseudomonas aeruginosa" +"captopril" 484 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 7.32 "Ki" "Inhibitory activity against thrombin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1560" "Tclin" "Homo sapiens" +"captopril" 484 "Angiotensin-converting enzyme" "Enzyme" "P12822" "ACE" "ACE_RABIT" 8.77 "Ki" "Inhibitory activity against rabbit lung angiotensin-1 converting enzyme" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1560" "Oryctolagus cuniculus" +"captopril" 484 "Leukotriene A-4 hydrolase" "Enzyme" "P09960" "LTA4H" "LKHA4_HUMAN" 7.15 "IC50" "Inhibitory activity against Leukotriene A4 hydrolase from human leukocytes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1560" "Tchem" "Homo sapiens" +"captopril" 484 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 4.77 "Ki" "Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate assessed as formation of prostanoid products preincubated for 10 mins prior to substrate addition measured after 2 mins by Ellman's method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1560" "Tclin" "Homo sapiens" +"captopril" 484 "Angiotensin-converting enzyme" "Enzyme" "P47820" "Ace" "ACE_RAT" 8.7 "Ki" "Inhibition of Angiotensin I converting enzyme (ACE)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1560" "Rattus norvegicus" +"captopril" 484 "Renin" "Enzyme" "P00797" "REN" "RENI_HUMAN" 8.77 "Ki" "Antihypertensive activity against human renin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1560" "Tclin" "Homo sapiens" +"captopril" 484 "Succinyl-diaminopimelate desuccinylase" "Enzyme" "P44514" "dapE" "DAPE_HAEIN" 5.74 "Ki" "Inhibition of Haemophilus influenzae recombinant DapE by competitive binding assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1560" "Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)" +"captopril" 484 "Beta-lactamase II" "Unclassified" "Q93T40" "bla2" "Q93T40_BACAN" 4.75 "Ki" "Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1560" "Bacillus anthracis" +"captopril" 484 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 4.92 "Ki" "Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate assessed as formation of prostanoid products preincubated for 10 mins prior to substrate addition measured after 2 mins by Ellman's method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1560" "Tclin" "Homo sapiens" +"captopril" 484 "Beta-lactamase class B VIM-2" "Unclassified" "Q9K2N0" "blaVIM-2" "Q9K2N0_PSEAI" 6.22 "Kd" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1560" "Pseudomonas aeruginosa" +"caramiphen" 486 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 5.29 "Ki" "Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL61946" "Rattus norvegicus" +"caramiphen" 486 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 7.5 "Ki" "Displacement of [3H](-)-quinuclidinyl benzilate(QNB) from muscarinic (M2) receptor in rat heart homogenates" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL61946" "Rattus norvegicus" +"caramiphen" 486 "Lysosomal Pro-X carboxypeptidase" "Enzyme" "P42785" "PRCP" "PCP_HUMAN" 7.59 "Ki" "Inhibition of [3H]- (+) - pentazocine binding to PCP receptor obtained from tissue homogenate preparation of fresh whole rat brain minus cerebellum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL61946" "Tchem" "Homo sapiens" +"caramiphen" 486 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.81 "Ki" "Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL61946" "Tclin" "Homo sapiens" +"caramiphen" 486 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 8.92 "Ki" "Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 in rat cortex homogenates" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL61946" "Rattus norvegicus" +"carazolol" 487 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 8.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=569" "AGONIST" "Tclin" "Homo sapiens" +"carazolol" 487 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 9.94 "Ki" "Displacement of [3H]DHA from human beta2 adrenoceptor by liquid scintillation counter" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL324665" "Tclin" "Homo sapiens" +"carazolol" 487 "Beta-3 adrenergic receptor" "Unclassified" "P25962" "Adrb3" "ADRB3_MOUSE" 7.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=569" "AGONIST" "Mus musculus" +"carazolol" 487 "Beta-3 adrenergic receptor" "Unclassified" "P26255" "Adrb3" "ADRB3_RAT" 7.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=569" "AGONIST" "Rattus norvegicus" +"carbachol" 488 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 8.0969 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"carbachol" 488 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 8.699 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14" "AGONIST" "Tclin" "Homo sapiens" +"carbachol" 488 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.9208 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"carbachol" 488 "Acetylcholinesterase" "Enzyme" "P21836" "Ache" "ACES_MOUSE" 8.1 "Ki" "Compound was evaluated for the binding affinity by displacing [3H]oxotremorine from mouse cerebral cortex tissue." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14" "Mus musculus" +"carbachol" 488 "Acetylcholine receptor subunit delta" "Ion channel" "P02718" "chrnd" "ACHD_TORCA" 6.35 "Ki" "Binding affinity towards rat forebrain nicotinic acetylcholine receptor using [3H]EB as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14" "Torpedo californica" +"carbachol" 488 "Neuronal acetylcholine receptor; alpha4/beta4" "Ion channel" "P09483|P12392" "Chrna4|Chrnb4" "ACHA4_RAT|ACHB4_RAT" 5.89 "Ki" "Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta4 expressed in HEK293 cells using [3H]EB as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14" "Rattus norvegicus" +"carbachol" 488 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P36544" "CHRNA7" "ACHA7_HUMAN" 4.18 "Ki" "Binding affinity to alpha7 nAChR (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14" "Tchem" "Homo sapiens" +"carbachol" 488 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 8.4 "Ki" "Binding affinity at [3H]CD radiolabeled muscarinic M2 receptor in rat cortex." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14" "Rattus norvegicus" +"carbachol" 488 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P09483|P12390" "Chrna4|Chrnb2" "ACHA4_RAT|ACHB2_RAT" 6.23 "Ki" "Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK293 cells using [3H]EB as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14" "Rattus norvegicus" +"carbachol" 488 "Muscarinic acetylcholine receptor" "GPCR" "Q8VH26" "GPM3" "Q8VH26_CAVPO" 4.74 "Kd" "Dissociation constant for complex with muscarinic acetylcholine receptor M3 of guinea pig ileum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14" "Cavia porcellus" +"carbachol" 488 "Muscarinic acetylcholine receptor M4" "GPCR" "P08485" "Chrm4" "ACM4_RAT" 5.59 "Ki" "Inhibition of binding of [3H]quinuclidinyl benzilate to Muscarinic acetylcholine receptor M4 in rat cerebral cortical membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14" "Rattus norvegicus" +"carbachol" 488 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm2|Chrm3|Chrm4|Chrm5" "ACM1_RAT|ACM2_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT" 8.89 "Ki" "In vitro binding affinity for muscarinic receptor by displacing [3H]oxotremorine-M binding on rat brain homogenate." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14" "Rattus norvegicus" +"carbachol" 488 "Muscarinic acetylcholine receptor M2" "GPCR" "Q9ERZ4" "Chrm2" "ACM2_MOUSE" 8.1 "Ki" "Ability to displace [3H]oxotremorine ([3H]OXO-M) from mouse cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14" "Mus musculus" +"carbachol" 488 "Acetylcholine receptor subunit alpha" "Ion channel" "P02710" "CHRNA1" "ACHA_TORCA" 5.12 "IC50" "Displacement of [3H]alpha-BGT from nAChR in Torpedo nobiliana electric organs" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14" "Torpedo californica" +"carbachol" 488 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P17787|P43681" "CHRNA4|CHRNB2" "ACHA4_HUMAN|ACHB2_HUMAN" 6.12 "Ki" "Binding affinity to alpha4beta2 nAChR (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14" "Tclin|Tclin" "Homo sapiens" +"carbachol" 488 "Neuronal acetylcholine receptor; alpha3/beta2" "Ion channel" "P04757|P12390" "Chrna3|Chrnb2" "ACHA3_RAT|ACHB2_RAT" 5.96 "Ki" "Binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta2 expressed in HEK293 cells using [3H]EB as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14" "Rattus norvegicus" +"carbachol" 488 "Muscarinic acetylcholine receptor M1" "GPCR" "P12657" "Chrm1" "ACM1_MOUSE" 7.7 "Ki" "Binding affinity (low) of [3H](R)-QNB binding to Muscarinic acetylcholine receptor M1 expressed in A9 L cell line in the absence of 300 uM GTP-gamma-S" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14" "Mus musculus" +"carbachol" 488 "Neuronal acetylcholine receptor; alpha3/beta4" "Ion channel" "P04757|P12392" "Chrna3|Chrnb4" "ACHA3_RAT|ACHB4_RAT" 5.32 "Ki" "Binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta4 expressed in HEK293 cells using [3H]EB as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14" "Rattus norvegicus" +"carbachol" 488 "Neuronal acetylcholine receptor; alpha2/beta2" "Ion channel" "P12389|P12390" "Chrna2|Chrnb2" "ACHA2_RAT|ACHB2_RAT" 6.68 "Ki" "Binding affinity towards rat nicotinic acetylcholine receptor alpha2-beta2 expressed in HEK293 cells using [3H]EB as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14" "Rattus norvegicus" +"carbachol" 488 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 7.51 "Ki" "Affinity versus [3H]oxotremorine M (agonist) binding to Muscarinic acetylcholine receptor M1 in Rat Cerebral Cortical Membranes, (Kd=0.75 nM)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14" "Rattus norvegicus" +"carbachol" 488 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.5768 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"carbachol" 488 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 8.5229 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"carbamazepine" 489 "Neuronal acetylcholine receptor; alpha2/beta4" "Ion channel" "P30926|Q15822" "CHRNA2|CHRNB4" "ACHA2_HUMAN|ACHB4_HUMAN" 4.3098 "IC50" "WOMBAT-PK" "=" "Tchem|Tclin" "Homo sapiens" +"carbamazepine" 489 "Sodium channel protein type 4 subunit alpha" "Ion channel" "P35499" "SCN4A" "SCN4A_HUMAN" 4.28 "Ki" "Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL108" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL108" "BLOCKER" "Tclin" "Homo sapiens" +"carbamazepine" 489 "Sodium channel protein type 9 subunit alpha" "Ion channel" "Q15858" "SCN9A" "SCN9A_HUMAN" 4.66 "IC50" "Blockade of human Nav1.7 channel expressed in HEK293 cells by FRET assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL108" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL108" "BLOCKER" "Tclin" "Homo sapiens" +"carbamazepine" 489 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 4.4949 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"carbamazepine" 489 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL108" "BLOCKER" "Tclin" "Homo sapiens" +"carbamazepine" 489 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" "Tclin|Tclin|Tclin" "Homo sapiens" +"carbamazepine" 489 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 4.125 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"carbamazepine" 489 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"carbenicillin" 492 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" +"carbenicillin" 492 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.37 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"carbenicillin" 492 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"carbenicillin" 492 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1214" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1214" "INHIBITOR" "Escherichia coli (strain K12)" +"carbenoxolone" 493 "Corticosteroid 11-beta-dehydrogenase isozyme 1" "Enzyme" "P28845" "HSD11B1" "DHI1_HUMAN" 7.08 "IC50" "Ability to convert [3H]cortisol to the tritium labeled cortisone in the presence of human 11 beta hydroxysteroid dehydrogenase type 2" "CHEMBL" "=" 1 "KEGG DRUG" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL499915" "http://www.kegg.jp/entry/D01899" "INHIBITOR" "Tclin" "Homo sapiens" +"carbenoxolone" 493 "Corticosteroid 11-beta-dehydrogenase isozyme 2" "Enzyme" "P51661" "Hsd11b2" "DHI2_MOUSE" 7.09 "IC50" "Inhibition of mouse microsomal 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL499915" "Mus musculus" +"carbenoxolone" 493 "Corticosteroid 11-beta-dehydrogenase isozyme 1" "Enzyme" "P50172" "Hsd11b1" "DHI1_MOUSE" 6.97 "IC50" "In vitro inhibitory activity against mouse 11 beta hydroxysteroid dehydrogenase type 1 using scintillation proximity assay (SPA)." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL499915" "Mus musculus" +"pentoxyverine" 494 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.78 "Ki" "Binding affinity towards muscarinic m2 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL73234" "Tclin" "Homo sapiens" +"pentoxyverine" 494 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.12 "Ki" "Binding affinity towards muscarinic m1 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL73234" "Tclin" "Homo sapiens" +"pentoxyverine" 494 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 5.51 "Ki" "Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL73234" "Rattus norvegicus" +"pentoxyverine" 494 "Lysosomal Pro-X carboxypeptidase" "Enzyme" "P42785" "PRCP" "PCP_HUMAN" 7.49 "IC50" "Inhibition of [3H]- (+) - pentazocine binding to PCP receptor obtained from tissue homogenate preparation of fresh whole rat brain minus cerebellum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL73234" "Tchem" "Homo sapiens" +"pentoxyverine" 494 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.71 "Ki" "Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL73234" "Tclin" "Homo sapiens" +"pentoxyverine" 494 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q9R0C9" "Sigmar1" "SGMR1_RAT" 7.96 "Ki" "Tested for its binding affinity towards sigma-1 site in presence of [3H]- -(+)3 PPP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL73234" "Rattus norvegicus" +"carbetocin" 495 "Oxytocin receptor" "GPCR" "P30559" "OXTR" "OXYR_HUMAN" 8.14874172210693 "Ki" "oxytocin receptors expressed in COS-7 cells" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/15740719" "https://www.ebs.tga.gov.au/ebs/picmi/picmirepository.nsf/pdf?OpenAgent&id=CP-2015-PI-01665-1" "AGONIST" "Tclin" "Homo sapiens" +"carbetocin" 495 "Vasopressin V2 receptor" "GPCR" "P30518" "AVPR2" "V2R_HUMAN" 5.232102394104 "Ki" "vasopressin V2 receptors expressed in COS-7 cells" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/15740719" "Tclin" "Homo sapiens" +"carbetocin" 495 "Vasopressin V1a receptor" "GPCR" "P37288" "AVPR1A" "V1AR_HUMAN" 7.3899998664856 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3301668" "Tclin" "Homo sapiens" +"carbidopa" 496 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 5.167810539 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"carbidopa" 496 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.428174751 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"carbidopa" 496 "Lysine-specific demethylase 4E" "Enzyme" "B2RXH2" "KDM4E" "KDM4E_HUMAN" 5.7 "Ki" "Uncompetitive inhibition of JMJD2E relative to alpha-ketoglutarate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200748" "Tchem" "Homo sapiens" +"carbidopa" 496 "Aromatic-L-amino-acid decarboxylase" "Enzyme" "P20711" "DDC" "DDC_HUMAN" "Mechanism of Action; CHEMBL1843; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200748" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200748" "INHIBITOR" "Tclin" "Homo sapiens" +"carbimazole" 497 "Lactoperoxidase" "Enzyme" "P22079" "LPO" "PERL_HUMAN" 4.98 "IC50" "Inhibition of lactoperoxidase-catalyzed iodination of L-tyrosine assessed as 3,5-diiodo-L-tyrosine formation by HPLC" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL508102" "Tbio" "Homo sapiens" +"carbimazole" 497 "Thyroid peroxidase" "Enzyme" "P07202" "TPO" "PERT_HUMAN" "WOMBAT-PK" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/1278093" "INHIBITOR" "Tclin" "Homo sapiens" +"carbinoxamine" 499 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "Mechanism of Action; CHEMBL231; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL864" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL864" "ANTAGONIST" "Tclin" "Homo sapiens" +"carboprost" 502 "Prostaglandin F2-alpha receptor" "GPCR" "P43088" "PTGFR" "PF2R_HUMAN" "Mechanism of Action; CHEMBL1987; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1237105" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1237105" "AGONIST" "Tclin" "Homo sapiens" +"carbutamide" 505 "Sulfonylurea receptor 1, Kir6.2" "Ion channel" "Q09428|Q14654" "ABCC8|KCNJ11" "ABCC8_HUMAN|KCJ11_HUMAN" 4.60205984115601 "Kd" "[86]Rb+ efflux in RINm5F insulinoma cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/2445740" "http://www.ncbi.nlm.nih.gov/pubmed/2445740" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"carindacillin" 508 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1596" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1596" "INHIBITOR" "Escherichia coli (strain K12)" +"carubicin" 510 "DNA topoisomerase 2-alpha" "Enzyme" "P11388" "TOP2A" "TOP2A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"carmofur" 511 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.301029996 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"carmofur" 511 "Mitogen-activated protein kinase 3" "Kinase" "P27361" "MAPK3" "MK03_HUMAN" 5.213177621 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"carmofur" 511 "Acid ceramidase" "Enzyme" "Q6P7S1" "Asah1" "ASAH1_RAT" 7.54 "IC50" "Inhibition of rat recombinant acid ceramidase expressed in human HEK293 cells using N-lauroylceramide as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by LC/MS analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL460499" "Rattus norvegicus" +"carmustine" 512 "DNA" "DNA" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/020637s026lbl.pdf" "OTHER" +"carmustine" 512 "Glutathione reductase, mitochondrial" "Enzyme" "P00390" "GSR" "GSHR_HUMAN" 5.09 "IC50" "Inhibition of human recombinant glutathione reductase using glutathione as substrate preincubated for 30 mins by colorimetric assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL513" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL513" "INHIBITOR" "Tclin" "Homo sapiens" +"levocarnitine" 513 "Carnitine O-palmitoyltransferase 1, muscle isoform" "Enzyme" "Q63704" "Cpt1b" "CPT1B_RAT" 4 "Ki" "Tested against neonatal rat cardiac myocyte carnitine palmitoyltransferase 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1149" "Rattus norvegicus" +"levocarnitine" 513 "Carnitine palmitoyltransferase 2" "Unclassified" "P18886" "Cpt2" "CPT2_RAT" 4 "Ki" "Tested against neonatal rat cardiac myocyte carnitine palmitoyltransferase 2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1149" "Rattus norvegicus" +"levocarnitine" 513 "Carnitine O-palmitoyltransferase 1, liver isoform" "Enzyme" "P50416" "CPT1A" "CPT1A_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"carfenazine" 516 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB01038" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201328" "ANTAGONIST" "Tclin" "Homo sapiens" +"carfenazine" 516 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" "Mechanism of Action; CHEMBL224; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201328" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201328" "ANTAGONIST" "Tclin" "Homo sapiens" +"carpipramine" 517 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.82390880584717 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"carpipramine" 517 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.06048107147217 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"carprofen" 518 "Fatty-acid amide hydrolase 1" "Enzyme" "P97612" "Faah" "FAAH1_RAT" 4.1 "IC50" "Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1316" "Rattus norvegicus" +"carprofen" 518 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 4.88 "IC50" "Inhibitory activity against cell-free canine COX-1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1316" "Tclin" "Homo sapiens" +"carprofen" 518 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 7 "IC50" "Inhibition of human recombinant COX2 after 5 mins" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1316" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1316" "INHIBITOR" "Tclin" "Homo sapiens" +"carprofen" 518 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 4.89 "IC50" "Inhibition of ovine COX1 after 5 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1316" "Ovis aries" +"carteolol" 520 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 9.2 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL839" "ANTAGONIST" "Tclin" "Homo sapiens" +"carteolol" 520 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 9.3 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL839" "ANTAGONIST" "Tclin" "Homo sapiens" +"carumonam" 521 "Peptidoglycan synthase FtsI" "Enzyme" "P0AD68" "ftsI" "FTSI_ECOLI" "WOMBAT-PK" "Escherichia coli (strain K12)" +"carvedilol" 522 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 9.9 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=551" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL723" "ANTAGONIST" "Tclin" "Homo sapiens" +"carvedilol" 522 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 9.5 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=551" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL723" "ANTAGONIST" "Tclin" "Homo sapiens" +"carvedilol" 522 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 9.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=551" "ANTAGONIST" "Tclin" "Homo sapiens" +"carvedilol" 522 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.125518182 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"carvedilol" 522 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.30980392 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"carvedilol" 522 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.397940009 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"carvedilol" 522 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.928117993 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"carvedilol" 522 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.273272791 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"carvedilol" 522 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.476253533 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"carvedilol" 522 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.931814138 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"carvedilol" 522 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.823908741 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"carvedilol" 522 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.22184875 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"carvedilol" 522 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.151810883 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"carvedilol" 522 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.366531544 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"carvedilol" 522 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.707743929 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"carvedilol" 522 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.886056648 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"carvedilol" 522 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.17327748 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"carvedilol" 522 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 9.054039296 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"carvedilol" 522 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 6.742321425 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808)" "DRUG MATRIX" "=" "Cavia porcellus" +"carvedilol" 522 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.705533774 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"carvedilol" 522 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 6.229884705 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"carvedilol" 522 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.66 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"carvedilol" 522 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.12 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL723" "Tchem" "Homo sapiens" +"carvedilol" 522 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.46 "IC50" "Inhibitory concentration against IKr potassium channel" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL723" "Tclin" "Homo sapiens" +"carvedilol" 522 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 4.03 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL723" "Tchem" "Homo sapiens" +"carvedilol" 522 "Beta-1 adrenergic receptor" "GPCR" "P18090" "Adrb1" "ADRB1_RAT" 9.09 "Ki" "Displacement of [3H]CGP12177 from beta-1 adrenergic receptor in rat cerebral cortex by liquid scintillation method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL723" "Rattus norvegicus" +"carvedilol" 522 "Amyloid beta A4 protein" "Unclassified" "P05067" "APP" "A4_HUMAN" 4.52 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL723" "Homo sapiens" +"carvedilol" 522 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 8.5 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL723" "Rattus norvegicus" +"carvedilol" 522 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 8.11 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL723" "Rattus norvegicus" +"cefacetrile" 524 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" +"cefaclor" 525 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" +"cefaclor" 525 "Streptokinase A" "Enzyme" "P10520" "ska" "STRP_STRP1" 6.33 "EC50" "WOMBAT-PK" "=" "Streptococcus pyogenes serotype M1" +"cefaclor" 525 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL680" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL680" "INHIBITOR" "Escherichia coli (strain K12)" +"cefadroxil" 526 "Solute carrier family 15 member 1" "Transporter" "P46059" "SLC15A1" "S15A1_HUMAN" 2.14 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"cefadroxil" 526 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1644" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1644" "INHIBITOR" "Escherichia coli (strain K12)" +"cefamandole" 527 "Solute carrier family 15 member 1" "Transporter" "P46059" "SLC15A1" "S15A1_HUMAN" 2.09 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"cefamandole nafate" 528 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1618" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1618" "INHIBITOR" "Escherichia coli (strain K12)" +"cefazolin" 530 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" +"cefazolin" 530 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1435" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1435" "INHIBITOR" "Escherichia coli (strain K12)" +"cefdinir" 533 "Pencillin binding protein 2a; Penicillin binding protein 2'; Penicillin binding protein, PBP2; Penicillin-binding protein 2; Penicillin-binding protein 2'; Peptidase" "Unclassified" "O54286" "mecA" "O54286_STAAU" "WOMBAT-PK" "Staphylococcus aureus" +"cefdinir" 533 "Penicillin-binding protein 3" "Unclassified" "Q14TG6" "pbp3" "Q14TG6_HAEIF" "WOMBAT-PK" "Haemophilus influenzae" +"cefdinir" 533 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL927" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL927" "INHIBITOR" "Escherichia coli (strain K12)" +"cefdinir" 533 "Cytoplasmic zinc-finger protein" "Unclassified" "G5EF15" "pos-1" "G5EF15_CAEEL" 4.3 "EC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL927" "Caenorhabditis elegans" +"cefdinir" 533 "Zinc finger protein mex-5" "Cytosolic other" "Q9XUB2" "mex-5" "MEX5_CAEEL" 4.48 "EC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL927" "Caenorhabditis elegans" +"cefditoren pivoxil" 534 "Penicillin-binding protein" "Unclassified" "Q54906" "dacA" "Q54906_STRPY" "WOMBAT-PK" "Streptococcus pyogenes" +"cefditoren pivoxil" 534 "Penicillin-binding protein 3" "Unclassified" "Q14TG6" "pbp3" "Q14TG6_HAEIF" "WOMBAT-PK" "Haemophilus influenzae" +"cefditoren pivoxil" 534 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL454446" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL454446" "INHIBITOR" "Escherichia coli (strain K12)" +"cefepime" 535 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL186" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL186" "INHIBITOR" "Escherichia coli (strain K12)" +"cefetamet pivoxil" 536 "Penicillin-binding protein 1" "Enzyme" "A1KS91" "ponA" "A1KS91_NEIMF" "WOMBAT-PK" "Neisseria meningitidis serogroup C / serotype 2a (strain ATCC 700532 / DSM 15464 / FAM18)" +"cefetamet pivoxil" 536 "Penicillin-binding protein 3" "Enzyme" "P42971" "pbpC" "PBPC_BACSU" "WOMBAT-PK" "Bacillus subtilis (strain 168)" +"cefixime" 537 "Streptokinase A" "Enzyme" "P10520" "ska" "STRP_STRP1" 7.22 "EC50" "WOMBAT-PK" "=" "Streptococcus pyogenes serotype M1" +"cefixime" 537 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 4.24 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cefixime" 537 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1541" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1541" "INHIBITOR" "Escherichia coli (strain K12)" +"cefmenoxime" 538 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201224" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201224" "INHIBITOR" "Escherichia coli (strain K12)" +"cefmetazole" 539 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" +"cefmetazole" 539 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201118" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201118" "INHIBITOR" "Escherichia coli (strain K12)" +"cefonicid" 542 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" +"cefonicid" 542 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 5.04 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"cefonicid" 542 "Somatostatin receptor type 4" "GPCR" "P31391" "SSTR4" "SSR4_HUMAN" 4.24 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cefonicid" 542 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 4.48 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cefonicid" 542 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1601" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1601" "INHIBITOR" "Escherichia coli (strain K12)" +"cefoperazone" 543 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" +"cefoperazone" 543 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL507674" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL507674" "INHIBITOR" "Escherichia coli (strain K12)" +"ceforanide" 544 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" +"ceforanide" 544 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201046" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201046" "INHIBITOR" "Escherichia coli (strain K12)" +"cefotaxime" 546 "Penicillin-binding protein 1A" "Enzyme" "P02918" "mrcA" "PBPA_ECOLI" 6.5123 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1010" "INHIBITOR" "Escherichia coli (strain K12)" +"cefotaxime" 546 "Peptidoglycan synthase FtsI" "Enzyme" "P0AD68" "ftsI" "FTSI_ECOLI" 6.2435 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1010" "INHIBITOR" "Escherichia coli (strain K12)" +"cefotaxime" 546 "Penicillin-binding protein 2" "Enzyme" "P0AD65" "mrdA" "PBP2_ECOLI" 4.6171 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1010" "INHIBITOR" "Escherichia coli (strain K12)" +"cefotaxime" 546 "Penicillin-binding protein 1B" "Enzyme" "P02919" "mrcB" "PBPB_ECOLI" 5.6585 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1010" "INHIBITOR" "Escherichia coli (strain K12)" +"cefotaxime" 546 "Beta-lactamase" "Enzyme" "B2ZTR6" "B2ZTR6_ACIBA" 6.3 "Ki" "Activity of Acinetobacter baumannii ADC-33 beta-lactamase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1010" "Acinetobacter baumannii" +"cefotaxime" 546 "Beta-lactamase" "Enzyme" "D6NSM8" "ampC" "D6NSM8_ACIBA" 5.6 "Ki" "Activity of Acinetobacter baumannii ADC-11 beta-lactamase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1010" "Acinetobacter baumannii" +"cefotetan" 547 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" +"cefotetan" 547 "Interstitial collagenase" "Enzyme" "P03956" "MMP1" "MMP1_HUMAN" 4.89 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cefotetan" 547 "72 kDa type IV collagenase" "Enzyme" "P08253" "MMP2" "MMP2_HUMAN" 4.49 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"cefotetan" 547 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 4.72 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"cefotetan" 547 "Catechol O-methyltransferase" "Enzyme" "P21964" "COMT" "COMT_HUMAN" 4.85 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cefotetan" 547 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 5.05 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cefotetan" 547 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL474579" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL474579" "INHIBITOR" "Escherichia coli (strain K12)" +"cefotiam" 548 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" +"cefotiam" 548 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 4.46 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"cefotiam" 548 "Vasoactive intestinal polypeptide receptor 1" "GPCR" "P32241" "VIPR1" "VIPR1_HUMAN" 4.47 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"cefotiam" 548 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1296" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1296" "INHIBITOR" "Escherichia coli (strain K12)" +"cefoxitin" 550 "Beta-lactamase" "Enzyme" "P00808" "penP" "BLAC_BACLI" "WOMBAT-PK" "Bacillus licheniformis" +"cefoxitin" 550 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" +"cefoxitin" 550 "Streptokinase A" "Enzyme" "P10520" "ska" "STRP_STRP1" 5.48 "EC50" "WOMBAT-PK" "=" "Streptococcus pyogenes serotype M1" +"cefoxitin" 550 "Beta-lactamase" "Enzyme" "A2RP81" "blaPER-2" "A2RP81_CITFR" 6.85 "Ki" "Inhibition of Citrobacter freundii PER2 beta lactamase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL996" "Citrobacter freundii" +"cefoxitin" 550 "Beta-lactamase" "Enzyme" "B2ZTR6" "B2ZTR6_ACIBA" 7 "Ki" "Activity of Acinetobacter baumannii ADC-33 beta-lactamase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL996" "Acinetobacter baumannii" +"cefoxitin" 550 "Beta-lactamase" "Enzyme" "D6NSM8" "ampC" "D6NSM8_ACIBA" 6.3 "Ki" "Activity of Acinetobacter baumannii ADC-11 beta-lactamase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL996" "Acinetobacter baumannii" +"cefoxitin" 550 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL996" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL996" "INHIBITOR" "Escherichia coli (strain K12)" +"cefpiramide" 552 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200672" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200672" "INHIBITOR" "Escherichia coli (strain K12)" +"cefprozil" 556 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" +"cefsulodin" 558 "Penicillin-binding protein 1B" "Enzyme" "P02919" "mrcB" "PBPB_ECOLI" 5.3284 "IC50" "WOMBAT-PK" "=" "Escherichia coli (strain K12)" +"cefsulodin" 558 "Penicillin-binding protein 1A" "Enzyme" "P02918" "mrcA" "PBPA_ECOLI" 6.5222 "IC50" "WOMBAT-PK" "=" "Escherichia coli (strain K12)" +"cefsulodin" 558 "Beta-adrenergic receptor kinase 1" "Kinase" "P25098" "GRK2" "ARBK1_HUMAN" 7.15000009536743 "EC50" "PUBCHEM_BIOASSAY: Dose Response of inhibitors of GRK2 binding with RNA aptamer, Cherry Pick 1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488855]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1343544" "Tbio" "Homo sapiens" +"cefsulodin" 558 "Protein-tyrosine phosphatase 1C" "Enzyme" "P29350" "PTPN6" "PTN6_HUMAN" 4.68 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1343544" "Tchem" "Homo sapiens" +"cefsulodin" 558 "Tyrosine-protein phosphatase non-receptor type 11" "Enzyme" "Q06124" "PTPN11" "PTN11_HUMAN" 4.77 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1343544" "Tchem" "Homo sapiens" +"cefsulodin" 558 "tRNA 2'-phosphotransferase" "Unclassified" "Q5A7N4" "TPT1" "Q5A7N4_CANAL" 5.77 "IC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1343544" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"ceftazidime" 559 "Penicillin-binding protein 1B" "Enzyme" "P02919" "mrcB" "PBPB_ECOLI" 4.9595 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL44354" "INHIBITOR" "Escherichia coli (strain K12)" +"ceftazidime" 559 "Penicillin-binding protein 1A" "Enzyme" "P02918" "mrcA" "PBPA_ECOLI" 6.5335 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL44354" "INHIBITOR" "Escherichia coli (strain K12)" +"ceftazidime" 559 "Peptidoglycan synthase FtsI" "Enzyme" "P0AD68" "ftsI" "FTSI_ECOLI" 6.2605 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL44354" "INHIBITOR" "Escherichia coli (strain K12)" +"ceftibuten" 562 "Penicillin-binding protein" "Enzyme" "Q1J5W5" "Q1J5W5_STRPF" "WOMBAT-PK" "Streptococcus pyogenes serotype M4 (strain MGAS10750)" +"ceftibuten" 562 "Penicillin-binding protein 3" "Enzyme" "Q60FU1" "pbp3" "Q60FU1_HAEIF" "WOMBAT-PK" "Haemophilus influenzae" +"ceftibuten" 562 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1605" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1605" "INHIBITOR" "Escherichia coli (strain K12)" +"ceftizoxime" 563 "Beta-lactamase" "Enzyme" "P00808" "penP" "BLAC_BACLI" "WOMBAT-PK" "Bacillus licheniformis" +"ceftizoxime" 563 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" +"ceftizoxime" 563 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL528" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL528" "INHIBITOR" "Escherichia coli (strain K12)" +"ceftriaxone" 564 "Penicillin-binding protein 2" "Enzyme" "P0AD65" "mrdA" "PBP2_ECOLI" 6.2125 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL161" "INHIBITOR" "Escherichia coli (strain K12)" +"ceftriaxone" 564 "Penicillin-binding protein 1B" "Enzyme" "P02919" "mrcB" "PBPB_ECOLI" 5.744 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL161" "INHIBITOR" "Escherichia coli (strain K12)" +"ceftriaxone" 564 "Penicillin-binding protein 1A" "Enzyme" "P02918" "mrcA" "PBPA_ECOLI" 6.5135 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL161" "INHIBITOR" "Escherichia coli (strain K12)" +"ceftriaxone" 564 "Peptidoglycan synthase FtsI" "Enzyme" "P0AD68" "ftsI" "FTSI_ECOLI" 6.1419 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL161" "INHIBITOR" "Escherichia coli (strain K12)" +"ceftriaxone" 564 "D-amino-acid oxidase" "Enzyme" "P14920" "DAO" "OXDA_HUMAN" 5 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL161" "Tchem" "Homo sapiens" +"cefuroxime" 565 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" +"cefuroxime" 565 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.92 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cefuroxime" 565 "72 kDa type IV collagenase" "Enzyme" "P08253" "MMP2" "MMP2_HUMAN" 4.37 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"cefuroxime" 565 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 4.96 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"cefuroxime" 565 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1436" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1436" "INHIBITOR" "Escherichia coli (strain K12)" +"cefuroxime axetil" 566 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1095930" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1095930" "INHIBITOR" "Escherichia coli (strain K12)" +"celecoxib" 568 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 4.853965037 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"celecoxib" 568 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.477034405 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"celecoxib" 568 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.139841739 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"celecoxib" 568 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.159893906 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"celecoxib" 568 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 4.917465947 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"celecoxib" 568 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"celecoxib" 568 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 4.856454373 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"celecoxib" 568 "cAMP-specific 3',5'-cyclic phosphodiesterase 4A" "Enzyme" "P27815" "PDE4A" "PDE4A_HUMAN" 5.033389013 "IC50" "DRUGMATRIX: Phosphodiesterase PDE4 enzyme inhibition (substrate: [3H]cAMP + cAMP)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"celecoxib" 568 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 5.626720107 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"celecoxib" 568 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 7.24 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "INHIBITOR" "Tclin" "Homo sapiens" +"celecoxib" 568 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 7.68 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"celecoxib" 568 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.18 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"celecoxib" 568 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 7.74 "Ki" "Inhibitory activity against cloned human CA12" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Tclin" "Homo sapiens" +"celecoxib" 568 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 6.06 "Ki" "Inhibitory activity against human carbonic anhydrase IV (hCAIV)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Tclin" "Homo sapiens" +"celecoxib" 568 "Cytochrome c oxidase subunit 2" "Enzyme" "O78750" "MT-CO2" "COX2_SHEEP" 7.22 "IC50" "Inhibition of sheep COX2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Ovis aries" +"celecoxib" 568 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 7.01 "Ki" "Inhibition of human recombinant carbonic anhydrase 13 after 15 mins by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Tclin" "Homo sapiens" +"celecoxib" 568 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 8.43 "IC50" "Inhibition of COX1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Ovis aries" +"celecoxib" 568 "Carbonic anhydrase" "Enzyme" "Q50565" "Q50565_METTH" 4.41 "Ki" "Inhibitory activity against beta carbonic anhydrase (Cab) from Methanobacterium thermoautotrophicum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Methanothermobacter thermautotrophicus (strain ATCC 29096 / DSM 1053 / JCM 10044 / NBRC 100330 / Delta H)" +"celecoxib" 568 "Alpha carbonic anhydrase" "Unclassified" "B5SU02" "CA" "B5SU02_9CNID" 7.47 "Ki" "Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Stylophora pistillata" +"celecoxib" 568 "Probable transmembrane carbonic anhydrase (Carbonate dehydratase) (Carbonic dehydratase); Transmembrane carbonic anhydrase" "Enzyme" "P96878" "P96878_MYCTU" 5.11 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3273 pre-incubated for 15 mins by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"celecoxib" 568 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 7.4 "IC50" "Inhibition of ovine COX2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Ovis aries" +"celecoxib" 568 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 7.3 "IC50" "Inhibition of COX-1 in U-937 (human lymphoma) cell microsomes." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Tclin" "Homo sapiens" +"celecoxib" 568 "Prostaglandin G/H synthase 2" "Enzyme" "O62698" "PTGS2" "PGH2_BOVIN" 7.24 "IC50" "In vitro inhibitory activity against prostaglandin G/H synthase 2 (COX-2)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Bos taurus" +"celecoxib" 568 "Prostaglandin G/H synthase 2" "Enzyme" "Q05769" "Ptgs2" "PGH2_MOUSE" 9.29 "IC50" "Inhibition of LPS-induced COX2 activity in C57BL/6J mouse peritoneal macrophages by RIA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Mus musculus" +"celecoxib" 568 "Prostaglandin G/H synthase 1" "Enzyme" "P22437" "Ptgs1" "PGH1_MOUSE" 9.15 "IC50" "Tested for inhibition against Prostaglandin G/H synthase 2 from mouse resident macrophages" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Mus musculus" +"celecoxib" 568 "Astrosclerin-3" "Unclassified" "A6YCJ1" "A6YCJ1_9METZ" 6.14 "Ki" "Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Astrosclera willeyana" +"celecoxib" 568 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 5.13 "Ki" "Inhibition of human recombinant full length CA3 pre-incubated for 15 mins by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Tclin" "Homo sapiens" +"celecoxib" 568 "Prostaglandin G/H synthase 2" "Enzyme" "P35355" "Ptgs2" "PGH2_RAT" 5.96 "IC50" "In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Rattus norvegicus" +"celecoxib" 568 "3-phosphoinositide-dependent protein kinase 1" "Kinase" "O15530" "PDPK1" "PDPK1_HUMAN" 4.32 "IC50" "Inhibition of recombinant PDK1 using RPRAATF as substrate by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Tchem" "Homo sapiens" +"celecoxib" 568 "Beta-carbonic anhydrase 1" "Enzyme" "P9WPJ7" "mtcA1" "MTCA1_MYCTU" 4.99 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase 1 encoded by Rv1284 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"celecoxib" 568 "Carbonic anhydrase" "Unclassified" "C0IX24" "CA2" "C0IX24_9CNID" 6.16 "Ki" "Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Stylophora pistillata" +"celecoxib" 568 "Delta carbonic anhydrase" "Unclassified" "Q5U9J1" "ca1" "Q5U9J1_THAWE" 6.58 "Ki" "Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Thalassiosira weissflogii" +"celecoxib" 568 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 6.1 "Ki" "Inhibition of human recombinant carbonic anhydrase 5a after 15 mins by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Tclin" "Homo sapiens" +"celecoxib" 568 "Carbonic anhydrase" "Enzyme" "P53615" "NCE103" "CAN_YEAST" 6.97 "Ki" "Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"celecoxib" 568 "Cyclooxygenase 2; Prostaglandin G/H synthase-2; Uncharacterized protein" "Enzyme" "Q8SPQ9" "PTGS2" "Q8SPQ9_CANFA" 6.05 "IC50" "In vitro inhibitory activity against canine prostaglandin G/H synthase 2." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Canis familiaris" +"celecoxib" 568 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 6.16 "Ki" "Inhibition of human recombinant carbonic anhydrase 14 after 15 mins by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Tclin" "Homo sapiens" +"celecoxib" 568 "Prostaglandin G/H synthase 1" "Enzyme" "Q8HZR1" "PTGS1" "PGH1_CANFA" 5.25 "IC50" "In vitro inhibitory activity against canine prostaglandin G/H synthase 1." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Canis familiaris" +"celecoxib" 568 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 5.66 "Ki" "Inhibition of human recombinant carbonic anhydrase 7 after 15 mins by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Tclin" "Homo sapiens" +"celecoxib" 568 "Prostaglandin G/H synthase 1" "Enzyme" "Q63921" "Ptgs1" "PGH1_RAT" 4.85 "IC50" "In vitro inhibitory concentration against rat prostaglandin G/H synthase 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Rattus norvegicus" +"celecoxib" 568 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 4.8 "Ki" "Inhibitory activity against human carbonic anhydrase IX at 0.09 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Tclin" "Homo sapiens" +"celecoxib" 568 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 7.35 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Mus musculus" +"celecoxib" 568 "Prostaglandin G/H synthase 1" "Enzyme" "O62664" "PTGS1" "PGH1_BOVIN" 5.11 "IC50" "Inhibition of bovine COX1 by enzyme immunoassay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Bos taurus" +"celecoxib" 568 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 4.3 "Ki" "Inhibitory activity against human carbonic anhydrase I (hCAI)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Tclin" "Homo sapiens" +"celecoxib" 568 "Cytochrome c oxidase subunit 1" "Unclassified" "O78749" "MT-CO1" "COX1_SHEEP" 4.61 "IC50" "Inhibition of sheep COX1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Ovis aries" +"celecoxib" 568 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 7.03 "Ki" "Inhibition of human recombinant carbonic anhydrase 5b after 15 mins by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Tclin" "Homo sapiens" +"celecoxib" 568 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 7.68 "Ki" "Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"celecoxib" 568 "Carbonic anhydrase" "Enzyme" "P40881" "CAH_METTE" 6.85 "Ki" "Inhibitory activity against alpha carbonic anhydrase (Zn-Cam) from Methanosarcina thermophila" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Methanosarcina thermophila" +"celecoxib" 568 "Carbonic anhydrase 2" "Enzyme" "P9WPJ9" "mtcA2" "MTCA2_MYCTU" 6.15 "Ki" "Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"celecoxib" 568 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 7.03 "Ki" "Inhibition of human full length recombinant carbonic anhydrase 6 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Tclin" "Homo sapiens" +"celecoxib" 568 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 6.09 "IC50" "Inhibitory concentration against p38 alpha MAP kinase calculated by CoMFA model; FlexX score=-12.4 kcal/mol" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Tchem" "Homo sapiens" +"celecoxib" 568 "Carbonic anhydrase 4" "Enzyme" "Q95323" "CA4" "CAH4_BOVIN" 6.54 "Ki" "Inhibitory activity against bovine carbonic anhydrase IV (bCAIV)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Bos taurus" +"celecoxib" 568 "Carbonic anhydrase" "Unclassified" "Q5TU56" "Q5TU56_ANOGA" 6.76 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Anopheles gambiae" +"celecoxib" 568 "Carbonic anhydrase" "Enzyme" "Q6FTL6" "Q6FTL6_CANGA" 6.94 "Ki" "Inhibition of recombinant full length Candida glabrata NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "Candida glabrata (strain ATCC 2001 / CBS 138 / JCM 3761 / NBRC 0622 / NRRL Y-65)" +"celiprolol" 569 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.8 "Ki" "WOMBAT-PK" "=" "AGONIST" "Tclin" "Homo sapiens" +"celiprolol" 569 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 8.1 "Ki" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/9205952" "ANTAGONIST" "Tclin" "Homo sapiens" +"celiprolol" 569 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.05 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL27810" "Rattus norvegicus" +"cefalexin" 571 "Penicillin-binding protein 3" "Enzyme" "P42971" "pbpC" "PBPC_BACSU" "WOMBAT-PK" "Bacillus subtilis (strain 168)" +"cefalexin" 571 "Solute carrier family 15 member 2" "Transporter" "Q16348" "SLC15A2" "S15A2_HUMAN" 4.38 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"cefalexin" 571 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1727" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1727" "INHIBITOR" "Escherichia coli (strain K12)" +"cefaloglycin" 572 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200971" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200971" "INHIBITOR" "Escherichia coli (strain K12)" +"cefalotin" 574 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" +"cefalotin" 574 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 4.66 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"cefalotin" 574 "Somatostatin receptor type 4" "GPCR" "P31391" "SSTR4" "SSR4_HUMAN" 4.4 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cefalotin" 574 "Tyrosine-protein phosphatase non-receptor type 7" "Enzyme" "P35236" "PTPN7" "PTN7_HUMAN" 6.04 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"cefalotin" 574 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 4.7 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cefalotin" 574 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL617" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL617" "INHIBITOR" "Escherichia coli (strain K12)" +"cefapirin" 575 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" +"cefapirin" 575 "Interstitial collagenase" "Enzyme" "P03956" "MMP1" "MMP1_HUMAN" 4.43 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cefapirin" 575 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.31 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cefapirin" 575 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.48 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cefapirin" 575 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 4.84 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cefapirin" 575 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 4.66 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cefapirin" 575 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 4.68 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cefapirin" 575 "Cytochrome P450 3A5" "Enzyme" "P20815" "CYP3A5" "CP3A5_HUMAN" 5.11 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cefapirin" 575 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 4.85 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"cefapirin" 575 "Cannabinoid receptor 1" "GPCR" "P21554" "CNR1" "CNR1_HUMAN" 4.07 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cefapirin" 575 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.01 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"cefapirin" 575 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.24 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cefapirin" 575 "Substance-P receptor" "GPCR" "P25103" "TACR1" "NK1R_HUMAN" 4.89 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cefapirin" 575 "Somatostatin receptor type 4" "GPCR" "P31391" "SSTR4" "SSR4_HUMAN" 5.17 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cefapirin" 575 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.34 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cefapirin" 575 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 4.59 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cefapirin" 575 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.06 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cefapirin" 575 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.29 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cefapirin" 575 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 4.82 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cefapirin" 575 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.21 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cefapirin" 575 "Nischarin" "Membrane receptor" "Q9Y2I1" "NISCH" "NISCH_HUMAN" 4.85 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cefapirin" 575 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1599" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1599" "INHIBITOR" "Escherichia coli (strain K12)" +"cefradine" 576 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" +"cefradine" 576 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 5.4 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"cefradine" 576 "Somatostatin receptor type 4" "GPCR" "P31391" "SSTR4" "SSR4_HUMAN" 4.3 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cefradine" 576 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1604" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1604" "INHIBITOR" "Escherichia coli (strain K12)" +"cerivastatin" 577 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P04035" "HMGCR" "HMDH_HUMAN" 8 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1477" "INHIBITOR" "Tclin" "Homo sapiens" +"cerivastatin" 577 "Nuclear receptor subfamily 1 group I member 3" "Nuclear hormone receptor" "Q14994" "NR1I3" "NR1I3_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"cerivastatin" 577 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P51639" "Hmgcr" "HMDH_RAT" 8.55 "IC50" "Inhibition of rat microsomal HMG-CoA reductase assessed as inhibition of cholesterol synthesis after 30 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1477" "Rattus norvegicus" +"cerulenin" 578 "Fatty acid synthase" "Enzyme" "P49327" "FASN" "FAS_HUMAN" 5.24 "IC50" "Inhibition of human FAS assessed as synthesis of long chain fatty acids from malonyl CoA after 60 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL45627" "Tchem" "Homo sapiens" +"cerulenin" 578 "Pol polyprotein" "Enzyme" "Q72874" "pol" "Q72874_9HIV1" 5.6 "IC50" "The compound was tested for its affinity against HIV-1 protease in vitro" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL45627" "Human immunodeficiency virus 1" +"cerulenin" 578 "Coagulation factor XIII A chain" "Enzyme" "P00488" "F13A1" "F13A_HUMAN" 5.40000009536743 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL45627" "Tchem" "Homo sapiens" +"ceruletide" 579 "Cholecystokinin receptor type A" "GPCR" "P32238" "CCKAR" "CCKAR_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00403" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200755" "AGONIST" "Tclin" "Homo sapiens" +"cetirizine" 581 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.91 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1000" "ANTAGONIST" "Tclin" "Homo sapiens" +"cetirizine" 581 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 4.05 "Kd" "Binding affinity to human recombinant Tie2 by SPR assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1000" "Tclin" "Homo sapiens" +"cetirizine" 581 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.52 "IC50" "Inhibition of human Potassium channel HERG expressed in mammalian cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1000" "Tclin" "Homo sapiens" +"cetrorelix" 583 "Lutropin-choriogonadotropic hormone receptor" "GPCR" "P22888" "LHCGR" "LSHR_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"cetrorelix" 583 "Gonadotropin-releasing hormone receptor" "GPCR" "P30968" "GNRHR" "GNRHR_HUMAN" 8.8 "Ki" "GRAC: human GnRH1 selective antagonist" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200490" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200490" "ANTAGONIST" "Tclin" "Homo sapiens" +"cevimeline" 584 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.3188 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL168815" "AGONIST" "Tclin" "Homo sapiens" +"cevimeline" 584 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.6383 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL168815" "AGONIST" "Tclin" "Homo sapiens" +"cevimeline" 584 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.2007 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cevimeline" 584 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.8827 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cevimeline" 584 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.983 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"chlorambucil" 588 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 5.026271941 "IC50" "DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde)" "DRUG MATRIX" "=" "Rattus norvegicus" +"chlorambucil" 588 "Cathepsin D" "Enzyme" "P07339" "CTSD" "CATD_HUMAN" 8.93 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"chlorambucil" 588 "Cathepsin E" "Enzyme" "P14091" "CTSE" "CATE_HUMAN" 8.78 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"chlorambucil" 588 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.55 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"chlorambucil" 588 "Disintegrin and metalloproteinase domain-containing protein 9" "Enzyme" "Q13443" "ADAM9" "ADAM9_HUMAN" 7.25 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"chlorambucil" 588 "DNA" "DNA" "Mechanism of Action" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL515" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL515" "ALKYLATING AGENT" +"chloramphenicol" 589 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 4.25 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"chloramphenicol" 589 "Streptokinase A" "Enzyme" "P10520" "ska" "STRP_STRP1" 6.01 "EC50" "WOMBAT-PK" "=" "Streptococcus pyogenes serotype M1" +"chloramphenicol" 589 "Chloramphenicol acetyltransferase" "Enzyme" "P62580" "cat" "CAT_SALTI" 4.89 "Kd" "WOMBAT-PK" "=" "Salmonella typhi" +"chloramphenicol" 589 "Probable HTH-type transcriptional regulator TtgR" "Unclassified" "Q88N29" "ttgR" "TTGR_PSEPK" 4.88 "Kd" "WOMBAT-PK" "=" "Pseudomonas putida (strain KT2440)" +"chlorcyclizine" 593 "Apoptosis regulator Bcl-2" "Cytosolic other" "P10415" "BCL2" "BCL2_HUMAN" 4.22 "Kd" "Binding affinity to Bcl-2 by NMR titration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL22150" "Tclin" "Homo sapiens" +"chlordiazepoxide" 594 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.681936665 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"chlordiazepoxide" 594 "Cholecystokinin receptor" "GPCR" "P30551|P30553" "Cckar|Cckbr" "CCKAR_RAT|GASR_RAT" 4 "IC50" "Binding affinity towards cholecystokinin receptor by the displacement of [125I]CCK-33 in rat pancreatic tissue" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL451" "Rattus norvegicus" +"chlordiazepoxide" 594 "GABA-A receptor; anion channel" "Ion channel" "P08219|P08220|P10063|P10064|P20237|P22300" "GABRA1|GABRA2|GABRA3|GABRA4|GABRB1|GABRG2" "GBRA1_BOVIN|GBRA2_BOVIN|GBRA3_BOVIN|GBRA4_BOVIN|GBRB1_BOVIN|GBRG2_BOVIN" 6.1 "IC50" "Inhibition of [3H]flunitrazepam binding to benzodiazepine receptor in bovine brain membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL451" "Bos taurus" +"chlordiazepoxide" 594 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 4.3 "Ki" "Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) assessed as inhibition of ATCh hydrolysis by Ellman method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL451" "Electrophorus electricus" +"chlordiazepoxide" 594 "Translocator protein" "Membrane receptor" "P16257" "Tspo" "TSPO_RAT" 6.36 "Ki" "Binding affinity against rat benzodiazepine (BZD) receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL451" "Rattus norvegicus" +"chlordiazepoxide" 594 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 6.52 "Ki" "Inhibition of Equus caballus (horse) serum butyrylcholinesterase (BChE) assessed as inhibition of BTCh hydrolysis by Ellman method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL451" "Equus caballus" +"chlordiazepoxide" 594 "GABA-A receptor; anion channel" "Ion channel" "O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14" "Gabra1|Gabra2|Gabra3|Gabra4|Gabra5|Gabra6|Gabrb1|Gabrb2|Gabrb3|Gabrd|Gabre|Gabrg1|Gabrg2|Gabrg3|Gabrp|Gabrq" "GBRA1_RAT|GBRA2_RAT|GBRA3_RAT|GBRA4_RAT|GBRA5_RAT|GBRA6_RAT|GBRB1_RAT|GBRB2_RAT|GBRB3_RAT|GBRD_RAT|GBRE_RAT|GBRG1_RAT|GBRG2_RAT|GBRG3_RAT|GBRP_RAT|Q91ZM7_RAT" 6.7 "IC50" "Inhibitory concentration against specific binding of [3H]diazepam to Benzodiazepine receptor in rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL451" "Rattus norvegicus" +"chlordiazepoxide" 594 "Cholecystokinin receptor" "GPCR" "P32238|P32239" "CCKAR|CCKBR" "CCKAR_HUMAN|GASR_HUMAN" 4 "IC50" "Binding affinity towards cholecystokinin receptor by displacement of [125I]CCK-33 from guinea pig brain tissue" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL451" "Tclin|Tclin" "Homo sapiens" +"chlordiazepoxide" 594 "Thyrotropin-releasing hormone receptor" "GPCR" "P34981" "TRHR" "TRFR_HUMAN" 6.538 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"chlordiazepoxide" 594 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 6.2518 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL451" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"chlordiazepoxide" 594 "GABA-A receptor alpha-2/beta-3/gamma-2" "Ion channel" "P18507|P28472|P47869" "GABRA2|GABRB3|GABRG2" "GBRA2_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 6.3372 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL451" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"chlordiazepoxide" 594 "GABA-A receptor alpha-3/beta-3/gamma-2" "Ion channel" "P18507|P28472|P34903" "GABRA3|GABRB3|GABRG2" "GBRA3_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 6.5607 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL451" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"chlordiazepoxide" 594 "GABA-A receptor alpha-5/beta-3/gamma-2" "Ion channel" "P18507|P28472|P31644" "GABRA5|GABRB3|GABRG2" "GBRA5_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 6.4949 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL451" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"chlordiazepoxide" 594 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRB3|GABRG2" "GBRA1_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 6.25 "Ki" "Inhibition of [3H]Ro-151788 binding to human GABA A receptor (alpha-1-beta-3-gamma-2) stably expressed in L(tk-) cells." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL451" "Tclin|Tclin|Tclin" "Homo sapiens" +"chlordiazepoxide" 594 "Thyrotropin-releasing hormone receptor" "GPCR" "P21761" "Trhr" "TRFR_MOUSE" 4.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3370" "ANTAGONIST" "Mus musculus" +"chlordiazepoxide" 594 "Thyrotropin-releasing hormone receptor" "GPCR" "Q01717" "Trhr" "TRFR_RAT" 4.82 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3370" "ANTAGONIST" "Rattus norvegicus" +"chlorhexidine" 597 "Solute carrier family 22 member 3" "Transporter" "O75751" "SLC22A3" "S22A3_HUMAN" 6.39 "IC50" "Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL790" "Tchem" "Homo sapiens" +"chlorhexidine" 597 "Trypanothione reductase" "Enzyme" "P28593" "TPR" "TYTR_TRYCR" 5.7 "Ki" "Inhibitory constant against recombinant Trypanosoma cruzi trypanothione reductase was determined photometrically at 25 degree C in TR assay buffer (40 mM Hepes, 1 mM EDTA, pH 7.5)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL790" "Trypanosoma cruzi" +"chlorhexidine" 597 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 6.68 "IC50" "Inhibition of human OCT1-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL790" "Tchem" "Homo sapiens" +"chlorhexidine" 597 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 6.4 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL790" "Tchem" "Homo sapiens" +"chlorhexidine" 597 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 5.12 "IC50" "Inhibition of human neutrophils gelatinase B after 30 mins by fluorescence plate reader" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL790" "Tchem" "Homo sapiens" +"chlorhexidine" 597 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 6.3 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL790" "Tchem" "Homo sapiens" +"chlorhexidine" 597 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 6.15 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL790" "Tchem" "Homo sapiens" +"chlorhexidine" 597 "72 kDa type IV collagenase" "Enzyme" "P08253" "MMP2" "MMP2_HUMAN" 5.12 "IC50" "Inhibition of human rheumatoid synovial fibroblasts gelatinase A after 30 mins by fluorescence plate reader" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL790" "Tchem" "Homo sapiens" +"chlorhexidine" 597 "CAAX prenyl protease 2" "Unclassified" "Q03530" "RCE1" "RCE1_YEAST" 5.24 "AC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL790" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"chlormadinone" 600 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 7.764471553 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"chlormadinone" 600 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 5.522878745 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"chlormadinone" 600 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 7.679853714 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"chlormadinone" 600 "Sodium/potassium-transporting ATPase subunit alpha-2" "Ion channel" "D2WKD8" "ATP1A2" "AT1A2_PIG" 5.340121814 "IC50" "DRUGMATRIX: ATPase, Na+/K+ enzyme inhibition (substrate: ATP)" "DRUG MATRIX" "=" "Sus scrofa" +"chlormadinone" 600 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 9.163043263 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"clomethiazole" 602 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRB3|GABRG2" "GBRA1_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" "Tclin|Tclin|Tclin" "Homo sapiens" +"chloroprocaine" 605 "Sodium channel protein type 10 subunit alpha" "Ion channel" "Q9Y5Y9" "SCN10A" "SCNAA_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB01161" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL944" "BLOCKER" "Tclin" "Homo sapiens" +"chloropyramine" 606 "Focal adhesion kinase 1" "Kinase" "Q05397" "PTK2" "FAK1_HUMAN" 6.24 "Kd" "Binding affinity to biotinylated human FAK FAT domain by biolayer interoferometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1194287" "Tclin" "Homo sapiens" +"chloroquine" 607 "SARS-CoV-2" "Virus" 5.95 "EC50" "Activity determined against Vero E6 cells" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/32020029" "INHIBITOR" +"chloroquine" 607 "Histidine-rich protein PFHRP-II" "Cytosolic other" "P05227" "HRP1_PLAFA" 6.4 "IC50" "Inhibition of beta-hematin polymerization" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76" "Plasmodium falciparum" +"chloroquine" 607 "Major prion protein" "Surface antigen" "P04156" "PRNP" "PRIO_HUMAN" 5.4 "EC50" "Half maximal inhibition of Prion protein PrPsc formation was assayed in ScN2a cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76" "Tchem" "Homo sapiens" +"chloroquine" 607 "Ribosyldihydronicotinamide dehydrogenase [quinone]" "Enzyme" "P16083" "NQO2" "NQO2_HUMAN" 5.82 "IC50" "Inhibition of human recombinant NQO2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76" "Tchem" "Homo sapiens" +"chloroquine" 607 "Riboflavin-binding protein" "Unclassified" "P02752" "RBP_CHICK" 5.68 "Kd" "Binding affinity to chicken riboflavin binding protein assessed as dissociation constant at pH 7.4 in phosphate buffer by isothermal titration calorimetric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76" "Gallus gallus" +"chloroquine" 607 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.6 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"chlorothiazide" 609 "Solute carrier family 12 member 3" "Transporter" "P55017" "SLC12A3" "S12A3_HUMAN" 5.43 "A2" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL842" "INHIBITOR" "Tclin" "Homo sapiens" +"chlorothiazide" 609 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"chlorotrianisene" 610 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"chlorotrianisene" 610 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" "Mechanism of Action; CHEMBL242; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200761" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200761" "MODULATOR" "Tclin" "Homo sapiens" +"chloroxine" 611 "Botulinum neurotoxin type A" "Enzyme" "P10845" "botA" "BXA1_CLOBO" 4.94 "IC50" "Inhibition of Clostridium botulinum BoNT/A LC expressed in Escherichia coli assessed as cleavage of SNAPtide preincubated for 5 mins followed by SNAPtide addition measured for 105 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200596" "Clostridium botulinum" +"chloroxine" 611 "Arachidonate 12-lipoxygenase, 12S-type" "Enzyme" "P18054" "ALOX12" "LOX12_HUMAN" 5.72 "IC50" "Inhibition of human platelet-type N-terminally His6-tagged 12-lipoxygenase assessed as conjugated diene product formation using arachidonic acid by UV-vis spectrophotometer analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200596" "Tchem" "Homo sapiens" +"chloroxine" 611 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" 5.44 "IC50" "Inhibition of human 5-lipoxygenase assessed as conjugated diene product formation using arachidonic acid by UV-vis spectrophotometer analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200596" "Tclin" "Homo sapiens" +"chloroxine" 611 "Arachidonate 15-lipoxygenase, type II" "Enzyme" "O15296" "ALOX15B" "LX15B_HUMAN" 4.55 "IC50" "Inhibition of human reticulocyte N-terminally His6-tagged 15-lipoxygenase-2 assessed as conjugated diene product formation using arachidonic acid by UV-vis spectrophotometer analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200596" "Tchem" "Homo sapiens" +"chloroxine" 611 "Arachidonate 15-lipoxygenase" "Enzyme" "P16050" "ALOX15" "LOX15_HUMAN" 5.62 "IC50" "Inhibition of human reticulocyte N-terminally His6-tagged 15-lipoxygenase-1 assessed as conjugated diene product formation using arachidonic acid by UV-vis spectrophotometer analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200596" "Tchem" "Homo sapiens" +"chlorphenamine" 616 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.97469425201416 "Kd" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/9537821" "Tclin" "Homo sapiens" +"chlorphenamine" 616 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.84163761138916 "Kd" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/9537821" "Tclin" "Homo sapiens" +"chlorphenamine" 616 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.15 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL505" "ANTAGONIST" "Tclin" "Homo sapiens" +"chlorphenamine" 616 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.16749095916748 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"chlorphenamine" 616 "Chloroquine resistance transporter" "Unclassified" "Q9N623" "CRT" "CRT_PLAFA" 4.27 "IC50" "Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes plasma membrane assessed as reduction of [3H]-chloroquine transportation after 1 to 2 hrs" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL505" "Plasmodium falciparum" +"chlorphenamine" 616 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 8.06 "IC50" "Inhibition of [3H]mepyramine binding to the Histamine H1 receptor in guinea pig cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL505" "Cavia porcellus" +"chlorphenamine" 616 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.96 "IC50" "Inhibitory concentration against IKr potassium channel" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL505" "Tclin" "Homo sapiens" +"chlorphenamine" 616 "Lethal(3)malignant brain tumor-like protein 3" "Unclassified" "Q96JM7" "L3MBTL3" "LMBL3_HUMAN" 4.38 "IC50" "Inhibition of L3MBTL3 by alpha-screening" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL505" "Tchem" "Homo sapiens" +"chlorphenamine" 616 "Lethal(3)malignant brain tumor-like protein 1" "Unclassified" "Q9Y468" "L3MBTL1" "LMBL1_HUMAN" 4.39 "IC50" "Inhibition of L3MBTL1 by alpha-screening" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL505" "Tchem" "Homo sapiens" +"chlorphenamine" 616 "MBT domain-containing protein 1" "Unclassified" "Q05BQ5" "MBTD1" "MBTD1_HUMAN" 4.47 "IC50" "Inhibition of MBTD1 by alpha-screening" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL505" "Tdark" "Homo sapiens" +"chlorphenamine" 616 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL505" "Tclin|Tclin|Tclin" "Homo sapiens" +"chlorphenamine" 616 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 8.7 "Ki" "Ability to displace [3H]pyrilamine from histamine H1 receptor in male Sprague-Dawley rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL505" "Rattus norvegicus" +"chlorphenamine" 616 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 6.67 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"chlorphenamine" 616 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 4.9666 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"chlorphenamine" 616 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.8181 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"chlorphentermine" 618 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.4711 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200595" "SUBSTRATE" "Tclin" "Homo sapiens" +"chlorphentermine" 618 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.4045 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"chlorproethazine" 619 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.98693752288818 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"chlorproethazine" 619 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.63827228546143 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"chlorproethazine" 619 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.97930383682251 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 9.552841969 "Ki" "PDSP" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.69 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tchem" "Homo sapiens" +"chlorpromazine" 621 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 6.87 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"chlorpromazine" 621 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.2 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 6.92811822891235 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"chlorpromazine" 621 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 6.0101056098938 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 9.09151458740234 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 6.46344137191773 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"chlorpromazine" 621 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 5.82710552215576 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 6.34486150741577 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.75945091247559 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.25091361999512 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.60205984115601 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.37675094604492 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.39794015884399 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.74573516845703 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.233289793 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.723538196 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.721246399 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.677780705 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.707743929 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.353302269 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.132827249 "Ki" "DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 4.539583303 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.061480275 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 4.712960072 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.042632192 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"chlorpromazine" 621 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 4.797212085 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" +"chlorpromazine" 621 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.304518324 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"chlorpromazine" 621 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.735890844 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"chlorpromazine" 621 "Melanocortin receptor 4" "GPCR" "P32245" "MC4R" "MC4R_HUMAN" 4.835082334 "Ki" "DRUGMATRIX: Melanocortin MC4 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "Melanocortin receptor 5" "GPCR" "P33032" "MC5R" "MC5R_HUMAN" 5.145997767 "Ki" "DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"chlorpromazine" 621 "Melanocortin receptor 3" "GPCR" "P41968" "MC3R" "MC3R_HUMAN" 4.672763707 "Ki" "DRUGMATRIX: Melanocortin MC3 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"chlorpromazine" 621 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 5.776504059 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"chlorpromazine" 621 "Trypanothione reductase" "Enzyme" "P28593" "TPR" "TYTR_TRYCR" 5.49 "Ki" "Inhibition of Trypanosoma cruzi recombinant trypanothione reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL71" "Trypanosoma cruzi" +"chlorpromazine" 621 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 6.22 "Ki" "High affinity constant at binding site of human P-Glycoprotein (P-gp) in two-affinity model" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL71" "Tchem" "Homo sapiens" +"chlorpromazine" 621 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.57 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL71" "Tchem" "Homo sapiens" +"chlorpromazine" 621 "Dopamine receptor" "GPCR" "P20288|Q95136" "DRD1|DRD2" "DRD1_BOVIN|DRD2_BOVIN" 7.6 "IC50" "compound was tested for its ability to displace [3H]- spiroperidol from dopamine receptor." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL71" "Bos taurus" +"chlorpromazine" 621 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 7.68 "Ki" "Binding affinity towards rat 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL71" "Rattus norvegicus" +"chlorpromazine" 621 "Glutamate NMDA receptor" "Ion channel" "P35439|Q00959|Q00960|Q00961|Q62645|Q8VHN2|Q9R1M7" "Grin1|Grin2a|Grin2b|Grin2c|Grin2d|Grin3a|Grin3b" "NMD3A_RAT|NMD3B_RAT|NMDE1_RAT|NMDE2_RAT|NMDE3_RAT|NMDE4_RAT|NMDZ1_RAT" 5.89 "IC50" "Binding affinity against dextromethorpin binding site of N-methyl-D-aspartate glutamate receptor from rat brain using [3H]1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL71" "Rattus norvegicus" +"chlorpromazine" 621 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm2|Chrm3|Chrm4|Chrm5" "ACM1_RAT|ACM2_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT" 7.22 "Ki" "In vitro binding affinity against Muscarinic acetylcholine receptors in rat brain." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL71" "Rattus norvegicus" +"chlorpromazine" 621 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.17 "Ki" "Compound was evaluated for the binding affinity against [3H]8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in cloned CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL71" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "D(2) dopamine receptor" "GPCR" "P20288" "DRD2" "DRD2_BOVIN" 7.1 "IC50" "Competition in vitro with the dopamine receptor D2 antagonist [3H]spiperone, for binding sites on calf caudate membranes." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL71" "Bos taurus" +"chlorpromazine" 621 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.37 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL71" "Tclin|Tclin|Tclin" "Homo sapiens" +"chlorpromazine" 621 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2a|Htr2b|Htr2c" "5HT2A_RAT|5HT2B_RAT|5HT2C_RAT" 9.15 "Ki" "Binding affinity determined in radioreceptor binding assay by using [3H]ketanserin radioligand against 5-hydroxytryptamine 2 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL71" "Rattus norvegicus" +"chlorpromazine" 621 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd2|Drd3|Drd4|Drd5" "DRD1_RAT|DRD2_RAT|DRD3_RAT|DRD4_RAT|DRD5_RAT" 7.85 "Ki" "In vitro ability to displace [3H]spiroperidol from rat dopamine receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL71" "Rattus norvegicus" +"chlorpromazine" 621 "Pleiotropic ABC efflux transporter of multiple drugs" "Transporter" "P33302" "PDR5" "PDR5_YEAST" 5.35 "IC50" "Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL71" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"chlorpromazine" 621 "Major prion protein" "Surface antigen" "P04156" "PRNP" "PRIO_HUMAN" 5.7 "EC50" "Half maximal inhibition of Prion protein PrPsc formation was assayed in ScN2a cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL71" "Tchem" "Homo sapiens" +"chlorpromazine" 621 "Transient receptor potential cation channel subfamily V member 1" "Ion channel" "O35433" "Trpv1" "TRPV1_RAT" 5.89 "Ki" "Displacement of [3H]RTX from rat TRPV1 receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL71" "Rattus norvegicus" +"chlorpromazine" 621 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.92 "IC50" "Binding affinity to SERT (unknown origin) by radioligand binding assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL71" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "Calmodulin" "Cytosolic other" "P0DP23|P0DP24|P0DP25" "CALM1|CALM2|CALM3" "CALM1_HUMAN|CALM2_HUMAN|CALM3_HUMAN" 5.91 "Kd" "Binding affinity to human calmodulin expressed in Escherichia coli using M124C-mBBr fluorescent biosensor by spectrofluorometer analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL71" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "Adenylate cyclase" "Enzyme" "D4A3N4|P21932|P26769|P26770|P40146|Q03343|Q04400|Q8CFM9" "Adcy1|Adcy2|Adcy3|Adcy4|Adcy5|Adcy6|Adcy8" "ADCY2_RAT|ADCY3_RAT|ADCY4_RAT|ADCY5_RAT|ADCY6_RAT|ADCY8_RAT|D4A3N4_RAT|Q8CFM9_RAT" 6.93 "Ki" "Inhibitory activity against Dopamine sensitive adenylate cyclase in rats" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL71" "Rattus norvegicus" +"chlorpromazine" 621 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.75 "Ki" "The compound was tested for its binding affinity towards 5-hydroxytryptamine 1A receptor by displacing [3H]WB-4101 radioligand in rat hippocampus" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL71" "Rattus norvegicus" +"chlorpromazine" 621 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 7.46 "Ki" "In vitro binding affinity against Dopamine receptor D1 in rat striatal tissue" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL71" "Rattus norvegicus" +"chlorpromazine" 621 "Acetylcholine receptor subunit alpha" "Ion channel" "P02710" "CHRNA1" "ACHA_TORCA" 5.89 "IC50" "Displacement of [3H]PCP from nAChR in Torpedo nobiliana electric organs membranes in presence of 100 uM carbachol by scintillation counting method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL71" "Torpedo californica" +"chlorpromazine" 621 "Glutamate [NMDA] receptor" "Ion channel" "O15399|O60391|Q05586|Q12879|Q13224|Q14957|Q8TCU5" "GRIN1|GRIN2A|GRIN2B|GRIN2C|GRIN2D|GRIN3A|GRIN3B" "NMD3A_HUMAN|NMD3B_HUMAN|NMDE1_HUMAN|NMDE2_HUMAN|NMDE3_HUMAN|NMDE4_HUMAN|NMDZ1_HUMAN" 6.22 "IC50" "Inhibition of [3H]1 binding to dextromethorpin binding site of guinea pig microsomal pellet P3 N-methyl-D-aspartate glutamate receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL71" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"chlorpromazine" 621 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 8.92 "Ki" "Compound was tested for inhibitory activity against the binding of [3H]spiperone to Dopamine receptor D2 in rat striatal membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL71" "Rattus norvegicus" +"chlorpromazine" 621 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.28 "Ki" "Displacement of [3H]LSD from human cloned 5HT2B receptor expressed in CHO cells by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL71" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.54 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.4 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.1 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.15 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL71" "ANTAGONIST" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.44 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"chlorpromazine" 621 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.19 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.1 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 6.93 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"chlorpromazine" 621 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.6 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 7.41 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.8539 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"chlorpromazine" 621 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.1549 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 6.2441 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"chlorpromazine" 621 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.83 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.2 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "Ryanodine receptor 1" "Ion channel" "P21817" "RYR1" "RYR1_HUMAN" 3.5686 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"chlorpromazine" 621 "FAD-linked sulfhydryl oxidase ALR" "Enzyme" "P55789" "GFER" "ALR_HUMAN" 5.98999977111816 "AC50" "PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL71" "Tchem" "Homo sapiens" +"chlorpromazine" 621 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 7.3 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL71" "Cavia porcellus" +"chlorpromazine" 621 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 8.07 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL71" "Rattus norvegicus" +"chlorpromazine" 621 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 8.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=83" "ANTAGONIST" "Rattus norvegicus" +"chlorpromazine" 621 "5-hydroxytryptamine receptor 7" "GPCR" "P32304" "Htr7" "5HT7R_MOUSE" 5.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=83" "ANTAGONIST" "Mus musculus" +"chlorpropamide" 622 "Solute carrier family 22 member 6" "Transporter" "O35956" "Slc22a6" "S22A6_RAT" 4.4 "Ki" "Inhibition of rat Oat1 expressed in Xenopus oocytes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL498" "Rattus norvegicus" +"chlorpropamide" 622 "Sulfonylurea receptor 1, Kir6.2" "Ion channel" "Q09428|Q14654" "ABCC8|KCNJ11" "ABCC8_HUMAN|KCJ11_HUMAN" 5.04575729370117 "Kd" "[86]Rb+ efflux in RINm5F insulinoma cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/2445740" "http://www.ncbi.nlm.nih.gov/pubmed/2445740" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"chlorprothixene" 623 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.366531544 "Ki" "PDSP" "Tclin" "Homo sapiens" +"chlorprothixene" 623 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 9.193820026 "Ki" "PDSP" "Tchem" "Homo sapiens" +"chlorprothixene" 623 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.11 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL908" "Tchem" "Homo sapiens" +"chlorprothixene" 623 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 8.25 "Ki" "Binding affinity towards rat 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL908" "Rattus norvegicus" +"chlorprothixene" 623 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 8.52 "Ki" "Binding affinity towards human 5-hydroxytryptamine 6 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL908" "Tchem" "Homo sapiens" +"chlorprothixene" 623 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.53 "Ki" "Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL908" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL908" "ANTAGONIST" "Tclin" "Homo sapiens" +"chlorprothixene" 623 "Pleiotropic ABC efflux transporter of multiple drugs" "Transporter" "P33302" "PDR5" "PDR5_YEAST" 5.29 "IC50" "Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL908" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"chlorprothixene" 623 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.74 "Ki" "Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL908" "Tclin" "Homo sapiens" +"chlorprothixene" 623 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.43 "Ki" "Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL908" "Tclin" "Homo sapiens" +"chlorprothixene" 623 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.34 "Ki" "Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL908" "ANTAGONIST" "Tclin" "Homo sapiens" +"chlorprothixene" 623 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 8.97 "IC50" "Displacement of [3H]mepyramine from histamine H1 receptor in Sprague-Dawley rat brain membrane after 2 hr by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL908" "Rattus norvegicus" +"chlorprothixene" 623 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 8.05 "Ki" "Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in HEK cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL908" "Tchem" "Homo sapiens" +"chlorprothixene" 623 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.958607315 "Ki" "PDSP" "Tclin" "Homo sapiens" +"chlorprothixene" 623 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.744727495 "Ki" "PDSP" "Tclin" "Homo sapiens" +"chlorprothixene" 623 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.657577319 "Ki" "PDSP" "Tclin" "Homo sapiens" +"chlorprothixene" 623 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.602059991 "Ki" "PDSP" "Tclin" "Homo sapiens" +"chlorprothixene" 623 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.552841969 "Ki" "PDSP" "Tclin" "Homo sapiens" +"chlortetracycline" 624 "Major prion protein" "Surface antigen" "P04156" "PRNP" "PRIO_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"chlortetracycline" 624 "cAMP-specific 3',5'-cyclic phosphodiesterase 4A" "Enzyme" "P27815" "PDE4A" "PDE4A_HUMAN" 4 "IC50" "Inhibition of PAD4 (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL404520" "Tclin" "Homo sapiens" +"chlortetracycline" 624 "Protein-arginine deiminase type-4" "Enzyme" "Q9UM07" "PADI4" "PADI4_HUMAN" 4 "IC50" "Inhibition of PAD4 by ABPP-based assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL404520" "Tchem" "Homo sapiens" +"chlortalidone" 625 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.56 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"chlortalidone" 625 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 7.82 "Ki" "Inhibition of mouse recombinant full length CA13 by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1055" "Mus musculus" +"chlortalidone" 625 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 8.35 "Ki" "Inhibition of human recombinant CA12 catalytic domain by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1055" "Tclin" "Homo sapiens" +"chlortalidone" 625 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 6.71 "Ki" "Inhibition of human recombinant full length CA4 by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1055" "Tclin" "Homo sapiens" +"chlortalidone" 625 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 4.96 "Ki" "Inhibition of human recombinant full length CA3 by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1055" "Tclin" "Homo sapiens" +"chlortalidone" 625 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 6.04 "Ki" "Inhibition of human recombinant full length CA5A by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1055" "Tclin" "Homo sapiens" +"chlortalidone" 625 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 5.38 "Ki" "Inhibition of human recombinant full length CA14 by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1055" "Tclin" "Homo sapiens" +"chlortalidone" 625 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 8.55 "Ki" "Inhibition of human recombinant full length CA7 by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1055" "Tclin" "Homo sapiens" +"chlortalidone" 625 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 7.64 "Ki" "Inhibition of human recombinant CA9 catalytic domain by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1055" "Tclin" "Homo sapiens" +"chlortalidone" 625 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 6.46 "Ki" "Inhibition of human recombinant full length CA1 by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1055" "Tclin" "Homo sapiens" +"chlortalidone" 625 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 8.05 "Ki" "Inhibition of human recombinant full length CA5B by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1055" "Tclin" "Homo sapiens" +"chlortalidone" 625 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 5.87 "Ki" "Inhibition of human recombinant full length CA6 by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1055" "Tclin" "Homo sapiens" +"chlortalidone" 625 "Solute carrier family 12 member 3" "Transporter" "P55017" "SLC12A3" "S12A3_HUMAN" "Mechanism of Action; CHEMBL1876; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1055" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1055" "INHIBITOR" "Tclin" "Homo sapiens" +"chlorzoxazone" 626 "Calcium-activated potassium channel subunit alpha-1" "Ion channel" "Q12791" "KCNMA1" "KCMA1_HUMAN" 4.52287864685059 "EC50" "Chlorzoxazone-stimulated activity of BK(Ca) channels in neuroblastoma IMR-32 cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/12480161" "http://www.ncbi.nlm.nih.gov/pubmed/12480161" "OPENER" "Tclin" "Homo sapiens" +"chlorzoxazone" 626 "Intermediate conductance calcium-activated potassium channel protein 4" "Ion channel" "O15554" "KCNN4" "KCNN4_HUMAN" 4 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2322" "ACTIVATOR" "Tchem" "Homo sapiens" +"chlorzoxazone" 626 "Nitric oxide synthase, brain" "Enzyme" "P29476" "Nos1" "NOS1_RAT" 5.553773598 "IC50" "DRUGMATRIX: Nitric Oxide Synthase, Neuronal (nNOS) radioligand binding (ligand: [3H]L-Arginine)" "DRUG MATRIX" "=" "Rattus norvegicus" +"chlorzoxazone" 626 "Nitric oxide synthase, inducible" "Enzyme" "P35228" "NOS2" "NOS2_HUMAN" 4.85 "IC50" "Inhibitory activity against Inducible nitric oxide synthase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1371" "Tchem" "Homo sapiens" +"chlorzoxazone" 626 "Nitric oxide synthase, brain" "Enzyme" "P29475" "NOS1" "NOS1_HUMAN" 4.3 "IC50" "Inhibitory activity against Neuronal nitric oxide synthase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1371" "Tchem" "Homo sapiens" +"chlorzoxazone" 626 "Nitric oxide synthase, endothelial" "Enzyme" "P29474" "NOS3" "NOS3_HUMAN" 5.06 "IC50" "Inhibitory activity against Endothelial nitric oxide synthase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1371" "Tchem" "Homo sapiens" +"chlorzoxazone" 626 "Small conductance calcium-activated potassium channel protein 2" "Unclassified" "P70604" "Kcnn2" "KCNN2_RAT" 4.1 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2322" "ACTIVATOR" "Rattus norvegicus" +"cianidanol" 629 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 4.31 "Kd" "Inhibition of human thrombin assessed as equilibrium dissociation constant at 50 to 1000 uM by BIAcore analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL206452" "Tclin" "Homo sapiens" +"cianidanol" 629 "Arginase" "Enzyme" "O96394" "O96394_LEIAM" 6.22 "Ki" "Noncompetitive inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate by Dixon reciprocal plot analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL206452" "Leishmania amazonensis" +"cianidanol" 629 "Prostaglandin G/H synthase 1" "Enzyme" "O62664" "PTGS1" "PGH1_BOVIN" 4.1 "IC50" "Inhibition of bovine seminal vesicle microsomal COX1-mediated prostaglandin production" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL206452" "Bos taurus" +"cianidanol" 629 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 4.44 "IC50" "Inhibition of COX1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL206452" "Tclin" "Homo sapiens" +"cianidanol" 629 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 4.03 "IC50" "Inhibition of COX2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL206452" "Tclin" "Homo sapiens" +"cianidanol" 629 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 4.39 "Kd" "Binding affinity to COX1 in sheep seminal vesicle" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL206452" "Ovis aries" +"cianidanol" 629 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 6.34999990463257 "Ki" "Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL206452" "Tclin" "Homo sapiens" +"cianidanol" 629 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.73999977111816 "Ki" "Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL206452" "Tclin" "Homo sapiens" +"cianidanol" 629 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5.61999988555908 "Ki" "Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL206452" "Tclin" "Homo sapiens" +"cianidanol" 629 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 5.44999980926514 "Ki" "Inhibition of human carbonic anhydrase 3 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL206452" "Tclin" "Homo sapiens" +"cianidanol" 629 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 5.40000009536743 "Ki" "Inhibition of human carbonic anhydrase 5b after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL206452" "Tclin" "Homo sapiens" +"cianidanol" 629 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 5.38000011444092 "Ki" "Inhibition of human carbonic anhydrase 5a after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL206452" "Tclin" "Homo sapiens" +"cianidanol" 629 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.32999992370606 "Ki" "Inhibition of human carbonic anhydrase 12 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL206452" "Tclin" "Homo sapiens" +"cianidanol" 629 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.30999994277954 "Ki" "Inhibition of human carbonic anhydrase 4 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL206452" "Tclin" "Homo sapiens" +"cianidanol" 629 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 5.30999994277954 "Ki" "Inhibition of human carbonic anhydrase 6 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL206452" "Tclin" "Homo sapiens" +"cianidanol" 629 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 5.30000019073486 "Ki" "Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL206452" "Tclin" "Homo sapiens" +"cianidanol" 629 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 4.98000001907349 "Ki" "Inhibition of human carbonic anhydrase 13 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL206452" "Tclin" "Homo sapiens" +"cianidanol" 629 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 4.94000005722046 "Ki" "Inhibition of human carbonic anhydrase 14 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL206452" "Tclin" "Homo sapiens" +"cianidanol" 629 "Beta-secretase 1" "Enzyme" "P56817" "BACE1" "BACE1_HUMAN" 4.51999998092651 "IC50" "Inhibition of human Beta-secretase 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL206452" "Tchem" "Homo sapiens" +"cianidanol" 629 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 5.11 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL206452" "Mus musculus" +"cibenzoline" 630 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.06 "IC50" "Inhibitory concentration against IKr potassium channel" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL87045" "Tclin" "Homo sapiens" +"cibenzoline" 630 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4" "Ion channel" "Q9Y3Q4" "HCN4" "HCN4_HUMAN" 4.3298 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cibenzoline" 630 "ATP-sensitive inward rectifier potassium channel 11" "Ion channel" "Q14654" "KCNJ11" "KCJ11_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"cicaprost" 631 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P35408" "PTGER4" "PE2R4_HUMAN" 7.4 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cicaprost" 631 "Prostacyclin receptor" "GPCR" "P43119" "PTGIR" "PI2R_HUMAN" 7.8 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cicaprost" 631 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P43115" "PTGER3" "PE2R3_HUMAN" 6.6 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cicaprost" 631 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P34995" "PTGER1" "PE2R1_HUMAN" 5.9 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cicaprost" 631 "Prostaglandin F2-alpha receptor" "GPCR" "P43088" "PTGFR" "PF2R_HUMAN" 5.872895202 "Ki" "PDSP" "Tclin" "Homo sapiens" +"cicaprost" 631 "Prostaglandin D2 receptor" "GPCR" "Q13258" "PTGDR" "PD2R_HUMAN" 5.872895202 "Ki" "PDSP" "Tclin" "Homo sapiens" +"cicaprost" 631 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P30557" "Ptger3" "PE2R3_MOUSE" 6.77 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1917" "AGONIST" "Mus musculus" +"cicaprost" 631 "Prostacyclin receptor" "Unclassified" "P43252" "Ptgir" "PI2R_MOUSE" 8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1917" "AGONIST" "Mus musculus" +"cicaprost" 631 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "Q62053" "Ptger2" "PE2R2_MOUSE" 5.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1917" "AGONIST" "Mus musculus" +"cyclacillin" 632 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" +"cyclacillin" 632 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200356" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200356" "INHIBITOR" "Escherichia coli (strain K12)" +"ciclesonide" 633 "SARS-CoV-2" "Virus" 5.36 "IC50" "Activity determined against Vero E6 cells. Possible target viral NSP15 (uridylate-specific endoribonuclease)" "SCIENTIFIC LITERATURE" "=" "http://dx.doi.org/10.1101/2020.03.11.987016" "INHIBITOR" +"ciclesonide" 633 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 7.43 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2040682" "AGONIST" "Tclin" "Homo sapiens" +"ciclopirox" 636 "trivalent metal" "Inorganic material" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2004/21022s004lbl.pdf" "CHELATING AGENT" +"cicloprolol" 637 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.2 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cicloprolol" 637 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 8 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cidofovir" 639 "DNA polymerase catalytic subunit" "Enzyme" "P04293" "DPOL_HHV11" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL152" "INHIBITOR" "Human herpesvirus 1 (strain 17)" +"cilastatin" 640 "Dipeptidase 1" "Enzyme" "P16444" "DPEP1" "DPEP1_HUMAN" 6.9586 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL766" "INHIBITOR" "Tclin" "Homo sapiens" +"cilastatin" 640 "Dipeptidase 1" "Enzyme" "P22412" "DPEP1" "DPEP1_PIG" 6.96 "Ki" "Inhibitory activity against beta-lactamase renal dipeptidase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL766" "Sus scrofa" +"cilazapril" 641 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 8.7 "IC50" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/2419701" "INHIBITOR" "Tclin" "Homo sapiens" +"cilnidipine" 642 "Voltage-gated L-type calcium channel" "Ion channel" "Q01668|Q13936" "CACNA1C|CACNA1D" "CAC1C_HUMAN|CAC1D_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/9298526" "http://www.ncbi.nlm.nih.gov/pubmed/9298526" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"cilnidipine" 642 "Voltage-dependent N-type calcium channel subunit alpha-1B" "Unclassified" "Q02294" "Cacna1b" "CAC1B_RAT" 6.7 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7767" "BLOCKER" "Rattus norvegicus" +"cilostazol" 644 "cGMP-inhibited 3',5'-cyclic phosphodiesterase A" "Enzyme" "Q14432" "PDE3A" "PDE3A_HUMAN" 6.7 "IC50" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7148" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL799" "INHIBITOR" "Tclin" "Homo sapiens" +"cilostazol" 644 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"cilostazol" 644 "cGMP-inhibited 3',5'-cyclic phosphodiesterase B" "Enzyme" "Q13370" "PDE3B" "PDE3B_HUMAN" 6.42 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7148" "INHIBITOR" "Tclin" "Homo sapiens" +"cimetidine" 645 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.14 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL30" "ANTAGONIST" "Tclin" "Homo sapiens" +"cimetidine" 645 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.92 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL30" "Tchem" "Homo sapiens" +"cimetidine" 645 "Histamine H2 receptor" "GPCR" "P47747" "HRH2" "HRH2_CAVPO" 6.58 "Kd" "In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL30" "Cavia porcellus" +"cimetidine" 645 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.154858533 "Ki" "PDSP" "Tclin" "Homo sapiens" +"cimetidine" 645 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 5.1 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1231" "INHIBITOR" "Tchem" "Homo sapiens" +"cimetidine" 645 "Histamine H2 receptor" "Unclassified" "P25102" "Hrh2" "HRH2_RAT" 5.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1231" "ANTAGONIST" "Rattus norvegicus" +"cinacalcet" 647 "Extracellular calcium-sensing receptor" "GPCR" "P41180" "CASR" "CASR_HUMAN" 7.7 "EC50" "Positive allosteric modulation of calcium sensing receptor by cell based assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200776" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200776" "POSITIVE ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"cinacalcet" 647 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 6.48999977111816 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200776" "Tclin" "Homo sapiens" +"cinalukast" 648 "Cysteinyl leukotriene receptor 1" "GPCR" "Q9Y271" "CYSLTR1" "CLTR1_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/23859232" "ANTAGONIST" "Tclin" "Homo sapiens" +"cinalukast" 648 "Cysteinyl leukotriene receptor 1" "GPCR" "Q2NNR5" "CYSLTR1" "CLTR1_CAVPO" 8.19 "Ki" "Binding affinity towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured by the displacement of [3H]LTD4 radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL283754" "Cavia porcellus" +"cinnarizine" 654 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 6.035269079 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cinnarizine" 654 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.586700236 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cinnarizine" 654 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.777283529 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cinnarizine" 654 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.769551079 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cinnarizine" 654 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.237321436 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cinnarizine" 654 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.551602897 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cinnarizine" 654 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.208309351 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cinnarizine" 654 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.987162775 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cinnarizine" 654 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.332547047 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cinnarizine" 654 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.990124366 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cinnarizine" 654 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.065501549 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cinnarizine" 654 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.064492734 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cinnarizine" 654 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.218244625 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cinnarizine" 654 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.790484985 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cinnarizine" 654 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.292429824 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cinnarizine" 654 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.263603498 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cinnarizine" 654 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.022276395 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cinnarizine" 654 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.884722409 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cinnarizine" 654 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.241845378 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cinnarizine" 654 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.299296283 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"cinnarizine" 654 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.793174124 "IC50" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"cinnarizine" 654 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 6.36 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL43064" "Tclin|Tclin|Tclin" "Homo sapiens" +"cinnarizine" 654 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 6.848936747 "Ki" "PDSP" "Tchem" "Homo sapiens" +"cinnarizine" 654 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.97 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL43064" "Rattus norvegicus" +"cinnarizine" 654 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 5.72 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL43064" "Rattus norvegicus" +"cinoxacin" 657 "DNA gyrase" "Enzyme" "P0AES4|P0AES6" "gyrA|gyrB" "GYRA_ECOLI|GYRB_ECOLI" "Mechanism of Action; CHEMBL2311224; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1208" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1208" "INHIBITOR" "Escherichia coli (strain K12)" +"cinoxacin" 657 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 4.08 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ciprofibrate" 658 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 6.05 "EC50" "Transactivation of GAL4-fused PPARalpha LBD expressed in HepG2 cells after 20 hrs by luminescence assay" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL557555" "http://www.ncbi.nlm.nih.gov/pubmed/15123680" "AGONIST" "Tclin" "Homo sapiens" +"ciprofloxacin" 659 "DNA gyrase subunit A" "Enzyme" "P0AES4" "gyrA" "GYRA_ECOLI" 5.75 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL8" "INHIBITOR" "Escherichia coli (strain K12)" +"ciprofloxacin" 659 "DNA topoisomerase 4 subunit A" "Enzyme" "P0C1U9" "parC" "PARC_STAAU" 6 "IC50" "WOMBAT-PK" "=" "INHIBITOR" "Staphylococcus aureus" +"ciprofloxacin" 659 "DNA topoisomerase 4 subunit A" "Enzyme" "Q45066" "parC" "PARC_BACSU" 5.6576 "IC50" "WOMBAT-PK" "=" "Bacillus subtilis (strain 168)" +"ciprofloxacin" 659 "DNA topoisomerase 4 subunit A" "Enzyme" "P0AFI2" "parC" "PARC_ECOLI" 5.6021 "IC50" "WOMBAT-PK" "=" "Escherichia coli (strain K12)" +"ciprofloxacin" 659 "DNA gyrase subunit A" "Enzyme" "P9WG47" "gyrA" "GYRA_MYCTU" 6.2 "IC50" "WOMBAT-PK" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"ciprofloxacin" 659 "GABA-A receptor; anion channel" "Ion channel" "O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14" "Gabra1|Gabra2|Gabra3|Gabra4|Gabra5|Gabra6|Gabrb1|Gabrb2|Gabrb3|Gabrd|Gabre|Gabrg1|Gabrg2|Gabrg3|Gabrp|Gabrq" "GBRA1_RAT|GBRA2_RAT|GBRA3_RAT|GBRA4_RAT|GBRA5_RAT|GBRA6_RAT|GBRB1_RAT|GBRB2_RAT|GBRB3_RAT|GBRD_RAT|GBRE_RAT|GBRG1_RAT|GBRG2_RAT|GBRG3_RAT|GBRP_RAT|Q91ZM7_RAT" 6.39 "IC50" "Inhibition of [3H]muscimol binding to GABA A receptor 4-biphenylacetic acid at 10 e-4 M" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL8" "Rattus norvegicus" +"ciprofloxacin" 659 "Multidrug resistance protein mdtK" "Unclassified" "P37340" "mdtK" "MDTK_ECOLI" 4.04 "Kd" "Binding affinity to Escherichia coli K-12 multidrug efflux protein YdhE expressed in Escherichia coli AG100AX in presence of 0.02% DDM surfactant by fluorescence polarization assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL8" "Escherichia coli (strain K12)" +"ciprofloxacin" 659 "DNA topoisomerase II" "Enzyme" "P11388|Q02880" "TOP2A|TOP2B" "TOP2A_HUMAN|TOP2B_HUMAN" 7.52 "EC50" "Inhibitory activity against HeLa cell Topoisomerase II" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL8" "Tchem|Tclin" "Homo sapiens" +"ciprofloxacin" 659 "Histamine H3 receptor" "GPCR" "Q9QYN8" "Hrh3" "HRH3_RAT" 9.18 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL8" "Rattus norvegicus" +"cisapride" 660 "5-hydroxytryptamine receptor 4" "GPCR" "Q62758" "Htr4" "5HT4R_RAT" 8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=240" "AGONIST" "Rattus norvegicus" +"cisapride" 660 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.176525771 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cisapride" 660 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.378823718 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cisapride" 660 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6.522878745 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cisapride" 660 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.690369833 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cisapride" 660 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.395773947 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cisapride" 660 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.280668713 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cisapride" 660 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.30980392 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cisapride" 660 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.946921557 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cisapride" 660 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 7.15490196 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cisapride" 660 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.30980392 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cisapride" 660 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P04035" "HMGCR" "HMDH_HUMAN" 5.472370099 "IC50" "DRUGMATRIX: HMG-CoA Reductase enzyme inhibition (substrate: [14C]HMG-CoA)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cisapride" 660 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.062983893 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"cisapride" 660 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.962573502 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"cisapride" 660 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 5.7 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cisapride" 660 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 7.84 "Ki" "Inhibition of [3H]GR-113808 binding to guinea pig striatum 5-hydroxytryptamine 4 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1729" "Cavia porcellus" +"cisapride" 660 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2a|Htr2b|Htr2c" "5HT2A_RAT|5HT2B_RAT|5HT2C_RAT" 8.21 "Ki" "The ability to inhibit [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor in rat whole brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1729" "Rattus norvegicus" +"cisapride" 660 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.64 "IC50" "Binding affinity to dopamine receptor D2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1729" "Tclin" "Homo sapiens" +"cisapride" 660 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 5.35 "Ki" "The ability to inhibit [3H]rauwolscine binding to alpha-2 adrenergic receptor in rat cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1729" "Rattus norvegicus" +"cisapride" 660 "Serotonin 3 (5-HT3) receptor" "Ion channel" "P35563|Q9JJ16" "Htr3a|Htr3b" "5HT3A_RAT|5HT3B_RAT" 7.02 "Ki" "Inhibition of [3H]GR-65630 binding to rat cortical membrane serotonin 5-hydroxytryptamine 3 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1729" "Rattus norvegicus" +"cisapride" 660 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.77 "IC50" "Binding affinity to dopamine receptor D1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1729" "Tclin" "Homo sapiens" +"cisapride" 660 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 5.77 "Ki" "The ability to inhibit [3H]-SCH- 23390 binding to Dopamine receptor D1 in rat striata" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1729" "Rattus norvegicus" +"cisapride" 660 "5-hydroxytryptamine receptor 4" "GPCR" "Q13639" "HTR4" "5HT4R_HUMAN" 7.54 "Ki" "Binding affinity towards Serotonin 5-hydroxytryptamine 4 receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1729" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1729" "AGONIST" "Tclin" "Homo sapiens" +"cisapride" 660 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 8.19 "IC50" "Inhibition of human ERG in MCF7 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1729" "Tclin" "Homo sapiens" +"cisapride" 660 "Alpha-2A adrenergic receptor" "GPCR" "P22909" "Adra2a" "ADA2A_RAT" 7.52 "Ki" "Compound was evaluated for the binding affinity at Alpha adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1729" "Rattus norvegicus" +"cisapride" 660 "5-hydroxytryptamine receptor 2A" "GPCR" "Q75Z89" "HTR2A" "5HT2A_BOVIN" 8.14 "Ki" "Compound was evaluated for the binding affinity at 5- HT2 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1729" "Bos taurus" +"cisapride" 660 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.52 "Ki" "The ability to inhibit [3H]prazosin binding to Alpha-1 adrenergic receptor in rat whole brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1729" "Rattus norvegicus" +"cisapride" 660 "Serotonin 1 (5-HT1) receptor" "GPCR" "P19327|P28564|P28565|P30940" "Htr1a|Htr1b|Htr1d|Htr1f" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT" 5.35 "IC50" "Inhibitory activity against 5-hydroxytryptamine 1 receptor by 3H ligand binding experiments." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1729" "Rattus norvegicus" +"cisapride" 660 "Serotonin 3 (5-HT3) receptor" "Ion channel" "A5X5Y0|O95264|P46098|Q70Z44|Q8WXA8" "HTR3A|HTR3B|HTR3C|HTR3D|HTR3E" "5HT3A_HUMAN|5HT3B_HUMAN|5HT3C_HUMAN|5HT3D_HUMAN|5HT3E_HUMAN" 6.82 "Ki" "Compound was tested for 5-hydroxytryptamine 3 receptor binding affinity" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1729" "Tchem|Tchem|Tchem|Tchem|Tclin" "Homo sapiens" +"cisapride" 660 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 6.64 "Ki" "Affinity towards Dopamine receptor D2 in rat striatum using [3H]spiperone as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1729" "Rattus norvegicus" +"cisapride" 660 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.96000003814697 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1729" "Tclin" "Homo sapiens" +"cisapride" 660 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.15000009536743 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1729" "Tclin" "Homo sapiens" +"cisapride" 660 "5-hydroxytryptamine receptor 7" "GPCR" "P32304" "Htr7" "5HT7R_MOUSE" 5.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=240" "AGONIST" "Mus musculus" +"cisapride" 660 "5-hydroxytryptamine receptor 4" "Unclassified" "P97288" "Htr4" "5HT4R_MOUSE" 7.5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=240" "AGONIST" "Mus musculus" +"cisatracurium" 661 "Acetylcholine receptor" "Ion channel" "P02708|P11230|Q07001" "CHRNA1|CHRNB1|CHRND" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN" 8 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200641" "ANTAGONIST" "Tclin|Tclin|Tclin" "Homo sapiens" +"citalopram" 663 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.87527132034302 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"citalopram" 663 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.777283529 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"citalopram" 663 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.931443105 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"citalopram" 663 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.148130399 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"citalopram" 663 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 5.739928612 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"citalopram" 663 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 8.82 "Ki" "Inhibition of [3H]citalopram binding to Serotonin transporter of rat cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL549" "Rattus norvegicus" +"citalopram" 663 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 5.23 "Ki" "Displacement of [3H]nisoxetine from NET in rat frontal cortex by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL549" "Rattus norvegicus" +"citalopram" 663 "Sodium-dependent dopamine transporter" "Transporter" "Q61327" "Slc6a3" "SC6A3_MOUSE" 8.54 "Ki" "Tested in vitro for serotonin(5-HT) neuronal uptake inhibition" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL549" "Mus musculus" +"citalopram" 663 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.73 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL549" "Tchem" "Homo sapiens" +"citalopram" 663 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 5.21 "Ki" "Displacement of [3H]nisoxetine from norepinephrine transporter of rat cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL549" "Rattus norvegicus" +"citalopram" 663 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 5.03 "Ki" "Displacement of [3H]WIN-35428 from DAT in rat caudate-putamen by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL549" "Rattus norvegicus" +"citalopram" 663 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.21 "Ki" "In vitro binding affinity against human norepinephrine transporter in human embryonic kidney cell line by using [3H]-nisoxatine radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL549" "Tclin" "Homo sapiens" +"citalopram" 663 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 8.9355 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL549" "INHIBITOR" "Tclin" "Homo sapiens" +"citalopram" 663 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.2097 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"citalopram" 663 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.4559 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"citalopram" 663 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.4 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"citalopram" 663 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 4.78 "Ki" "In vitro binding affinity against human dopamine transporter in dog kidney cell line by using [125I]RTI-55 radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL549" "Tclin" "Homo sapiens" +"citalopram" 663 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.19064233 "Ki" "PDSP" "Tclin" "Homo sapiens" +"citalopram" 663 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 4.3 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL549" "Rattus norvegicus" +"citalopram" 663 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 5.76 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL549" "Rattus norvegicus" +"citric acid" 666 "3-dehydroquinate dehydratase" "Enzyme" "Q48255" "aroQ" "AROQ_HELPY" 5.6 "Kd" "Binding affinity for Helicobacter pylori DHQase 2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1261" "Helicobacter pylori (strain ATCC 700392 / 26695)" +"citric acid" 666 "3-dehydroquinate dehydratase" "Enzyme" "P15474" "aroQ" "AROQ_STRCO" 5.14 "Kd" "Binding affinity for Streptomyces coelicolor DHQase 2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1261" "Streptomyces coelicolor (strain ATCC BAA-471 / A3(2) / M145)" +"citric acid" 666 "pH (H+ ion activity)" "Unclassified" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/019481s013lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/019481s013lbl.pdf" "OTHER" +"citric acid" 666 "Transient receptor potential cation channel subfamily V member 4" "Unclassified" "Q9EPK8" "Trpv4" "TRPV4_MOUSE" 5.6 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2478" "ACTIVATOR" "Mus musculus" +"cladribine" 667 "cAMP-specific 3',5'-cyclic phosphodiesterase 4A" "Enzyme" "P27815" "PDE4A" "PDE4A_HUMAN" 5.440691989 "IC50" "DRUGMATRIX: Phosphodiesterase PDE4 enzyme inhibition (substrate: [3H]cAMP + cAMP)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cladribine" 667 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 5.14 "Ki" "Binding affinity to adenosine A1 receptor in rat brain membranes by measuring displacement of specific [3H]PIA as radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1619" "Rattus norvegicus" +"cladribine" 667 "Adenosine receptor A2a" "GPCR" "P30543" "Adora2a" "AA2AR_RAT" 4.69 "Ki" "Binding affinity to adenosine A2A receptor in rat striatal membranes by measuring displacement of specific [3H]-CGS- 21680 as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1619" "Rattus norvegicus" +"cladribine" 667 "Deoxycytidine kinase" "Kinase" "P27707" "DCK" "DCK_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"clarithromycin" 668 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.23 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"clavulanic acid" 669 "Beta-lactamase TEM" "Enzyme" "P62593" "bla; blaT-3; blaT-4;" "BLAT_ECOLX" 10.1871 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL777" "INHIBITOR" "Escherichia coli" +"clavulanic acid" 669 "Beta-lactamase GES-13" "Enzyme" "D1MIX9" "blaGES-13" "D1MIX9_PSEAI" 7 "IC50" "Inhibition of Pseudomonas aeruginosa GES-13 beta lactamase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL777" "Pseudomonas aeruginosa" +"clavulanic acid" 669 "Beta-lactamase" "Enzyme" "A4KCT8" "BlaGIL-1" "A4KCT8_9ENTR" 8.05 "IC50" "Inhibition of Citrobacter gillenii CIP 106783 Beta-lactamase GIL1 expressed in Escherichia coli DH10B" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL777" "Citrobacter gillenii" +"clavulanic acid" 669 "Beta-lactamase" "Enzyme" "P05364" "ampC" "AMPC_ENTCL" 6.4 "Kd" "Kd for TEM-1 beta-lactamase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL777" "Enterobacter cloacae" +"clavulanic acid" 669 "Beta-lactamase" "Enzyme" "Q9EXV5" "blaUOE-1" "Q9EXV5_ECOLX" 8.05 "IC50" "Inhibition of Escherichia coli CTX-M-15" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL777" "Escherichia coli" +"clavulanic acid" 669 "Carbapenem-hydrolizing beta-lactamase SFC-1" "Enzyme" "Q6JP75" "Q6JP75_SERFO" 4.14 "IC50" "Inhibition of Serratia fonticola UTAD54 SFC1 beta lactamase expressed in Escherichia coli BL21(DE3) by SDS-PAGE" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL777" "Serratia fonticola" +"clavulanic acid" 669 "Carbepenem-hydrolyzing beta-lactamase KPC" "Enzyme" "Q9F663" "bla" "BLKPC_KLEPN" 4.96 "Ki" "Inhibition of Klebsiella pneumoniae 1534 beta-lactamase KPC-2 by competitive assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL777" "Klebsiella pneumoniae" +"clavulanic acid" 669 "Beta-lactamase" "Enzyme" "Q6GWS8" "blaTEM-125" "Q6GWS8_ECOLX" 5.07 "IC50" "Inhibition of Escherichia coli DH5alpha beta-lactamase TEM-158" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL777" "Escherichia coli" +"clavulanic acid" 669 "Beta-lactamase" "Enzyme" "P00811" "ampC" "AMPC_ECOLI" 7.82 "IC50" "Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL777" "Escherichia coli (strain K12)" +"clavulanic acid" 669 "Beta-lactamase" "Enzyme" "Q2XPY6" "blaCTX-M-53" "Q2XPY6_SALET" 8 "IC50" "Inhibition of Salmonella enterica serotype Westhampton beta-lactamase CTX-M-53" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL777" "Salmonella enterica subsp. enterica serovar Westhampton" +"clavulanic acid" 669 "Beta-lactamase" "Enzyme" "P24735" "ampC" "AMPC_PSEAE" 6.1 "IC50" "Inhibitory concentration was evaluated as concentration required for 50% inhibition of Pseudomonas aeruginosa 18SH Beta-lactamase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL777" "Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)" +"clavulanic acid" 669 "Beta-lactamase" "Enzyme" "A0ZX81" "blaSHV-72" "A0ZX81_KLEPN" 5.76 "IC50" "Inhibition of Klebsiella pneumoniae Beta-Lactamase SHV-72" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL777" "Klebsiella pneumoniae" +"clavulanic acid" 669 "Beta-lactamase SHV-5" "Unclassified" "P0A3M1" "bla" "BLA5_KLEPN" 4.6 "Ki" "Inhibition of Klebsiella pneumoniae beta-lactamase SHV-105" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL777" "Klebsiella pneumoniae" +"clavulanic acid" 669 "Beta-lactamase" "Enzyme" "A2RP81" "blaPER-2" "A2RP81_CITFR" 7.17 "IC50" "Inhibition of Citrobacter freundii PER2 beta lactamase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL777" "Citrobacter freundii" +"clavulanic acid" 669 "Beta-lactamase SHV-1" "Enzyme" "P0AD64" "bla" "BLA1_KLEPN" 6.77 "IC50" "Inhibition of Klebsiella pneumoniae Beta-Lactamase SHV-1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL777" "Klebsiella pneumoniae" +"clavulanic acid" 669 "Beta-lactamase" "Enzyme" "A8RR46" "bcl1" "A8RR46_BACCS" 7.07 "IC50" "Inhibition of Bacillus clausii NR beta-lactamase BCL1 expressed in Escherichia coli BL21 (DE3)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL777" "Bacillus clausii" +"clavulanic acid" 669 "Beta-lactamase" "Enzyme" "A1E3K9" "blaSCO-1" "A1E3K9_ECOLX" 7.15 "IC50" "Inhibition of Escherichia coli beta-lactamase SCO1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL777" "Escherichia coli" +"clavulanic acid" 669 "Beta-lactamase" "Enzyme" "Q59401" "Q59401_ENTCL" 4 "IC50" "The compound was tested for its inhibitory activity towards Class C beta-lactamase from Enterobacter cloacae 908R at 0.8 umol concentration" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL777" "Enterobacter cloacae" +"clavulanic acid" 669 "Beta-lactamase SHV-1" "Enzyme" "P0AD63" "bla" "BLA1_ECOLX" 7.55 "IC50" "Inhibition of Escherichia coli SHV1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL777" "Escherichia coli" +"clavulanic acid" 669 "Beta-lactamase OXA-1" "Enzyme" "P13661" "bla" "BLO1_ECOLX" 5.49 "IC50" "Inhibitory activity against Beta-lactamase type OXA1 (penicillinase) from Escherichia coli OXA1 using ampicillin (40 uM) as a substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL777" "Escherichia coli" +"clavulanic acid" 669 "Beta-lactamase" "Enzyme" "Q4TVR4" "blaSHV-55" "Q4TVR4_KLEPN" 7.7 "IC50" "Inhibition of Klebsiella pneumoniae Beta-Lactamase SHV-55" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL777" "Klebsiella pneumoniae" +"clavulanic acid" 669 "Class D beta-lactamase" "Unclassified" "Q50H31" "oxa-63" "Q50H31_BRAPL" 5.7 "IC50" "Inhibition of Brachyspira pilosicoli beta-lactamase OXA-63 expressed in Escherichia coli BL21 (DE3) assessed as reduction in nitrocefin hydrolysis by spectrophotometry relative to oxacillin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL777" "Brachyspira pilosicoli" +"clavulanic acid" 669 "Beta-lactamase" "Enzyme" "P00807" "blaZ" "BLAC_STAAU" 8.719 "MPC" "WOMBAT-PK" "=" "Staphylococcus aureus" +"clebopride" 670 "D(1A) dopamine receptor" "GPCR" "Q95136" "DRD1" "DRD1_BOVIN" 5.22 "Ki" "Displacement of [3H]SCH-23390 [0.3 nM (Kd=0.35 nM)] from dopamine receptor D1 in bovine striatal membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325109" "Bos taurus" +"clebopride" 670 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 6.98 "Ki" "Inhibition of [3H]GR-113808 binding to guinea pig striatum 5-hydroxytryptamine 4 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325109" "Cavia porcellus" +"clebopride" 670 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2a|Htr2b|Htr2c" "5HT2A_RAT|5HT2B_RAT|5HT2C_RAT" 7.05 "Ki" "In vitro binding affinity on 5-hydroxytryptamine 2 receptor is inhibition of binding of [125I]- I-LSD to P11 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325109" "Rattus norvegicus" +"clebopride" 670 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.92 "Ki" "Displacement of [3H]-spiperone [0.5 nM (Kd=0.2-0.45 nM)] from human recombinant dopamine receptor D2S expressed in CHO cells at 0.5 nM concentration" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325109" "Tclin" "Homo sapiens" +"clebopride" 670 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 6.22 "Ki" "In vitro binding affinity on alpha-2 receptor is inhibition of binding of [3H]- rauwolscine to rat cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325109" "Rattus norvegicus" +"clebopride" 670 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 6.05 "IC50" "Inhibition of AChE" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325109" "Tclin" "Homo sapiens" +"clebopride" 670 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.49 "Ki" "Ability to displace [3H]spiperone [0.5 nM (Kd=0.1-0.45 nM)] from human recombinant dopamine receptor D4 expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325109" "Tchem" "Homo sapiens" +"clebopride" 670 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.98 "Ki" "In vitro binding affinity on D3 receptor is inhibition of binding of [125I]- NCQ 298 to Sf9 cells infected with recombinant baculovirus" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325109" "Tclin" "Homo sapiens" +"clebopride" 670 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.22 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325109" "Tclin" "Homo sapiens" +"clebopride" 670 "5-hydroxytryptamine receptor 4" "GPCR" "Q62758" "Htr4" "5HT4R_RAT" 6.98 "Ki" "Binding affinity against 5-hydroxytryptamine 4 receptor using [3H]GR-113808 as radioligand in rat striatum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325109" "Rattus norvegicus" +"clebopride" 670 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 8.95 "Ki" "Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325109" "Rattus norvegicus" +"clemastine" 671 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.585 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1626" "ANTAGONIST" "Tclin" "Homo sapiens" +"clemastine" 671 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.115204636 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clemastine" 671 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.346787486 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clemastine" 671 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.161150909 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clemastine" 671 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.853871964 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clemastine" 671 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.514278574 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clemastine" 671 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.036212173 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clemastine" 671 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.638272164 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clemastine" 671 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.283996656 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clemastine" 671 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.443697499 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"clemastine" 671 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.847711656 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clemastine" 671 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.603800653 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clemastine" 671 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.438898616 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clemastine" 671 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 8.083546051 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clemastine" 671 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.557520231 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clemastine" 671 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 8.220403509 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clemastine" 671 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.853871964 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clemastine" 671 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.269217724 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clemastine" 671 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.823908741 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clemastine" 671 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 6.22184875 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"clemastine" 671 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.387216143 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"clemastine" 671 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 6.657577319 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"clemastine" 671 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.348721986 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"clemastine" 671 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.703 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"clemastine" 671 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.7959 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"clemastine" 671 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 7.9208 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"clemastine" 671 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.699 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"clemastine" 671 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 5.31 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1626" "Tchem" "Homo sapiens" +"clemastine" 671 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.28 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1626" "Rattus norvegicus" +"clemizole" 672 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 6.39555788040161 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"clemizole" 672 "Heme oxygenase 2" "Enzyme" "P23711" "Hmox2" "HMOX2_RAT" 5.47 "IC50" "Inhibition of HO-2 in Sprague-Dawley rat brain microsomal fractions assessed as carbon monoxide formation from methemalbumin after 10 mins by gas chromatography analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1407943" "Rattus norvegicus" +"clenbuterol" 673 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 7.161150909 "Ki" "DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clenbuterol" 673 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.819587367 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clenbuterol" 673 "Beta-2 adrenergic receptor" "GPCR" "Q28044" "ADRB2" "ADRB2_BOVIN" 7.44 "Kd" "Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL49080" "Bos taurus" +"clenbuterol" 673 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 7.8 "Kd" "Binding affinity to beta-2 adrenergic receptor (unknown origin) at 1 to 10000 nM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL49080" "Tclin" "Homo sapiens" +"clenbuterol" 673 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.58 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL49080" "Rattus norvegicus" +"clevidipine" 674 "Voltage-dependent L-type calcium channel subunit alpha-1D" "Ion channel" "Q01668" "CACNA1D" "CAC1D_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1237132" "BLOCKER" "Tclin" "Homo sapiens" +"clevidipine" 674 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1237132" "BLOCKER" "Tclin" "Homo sapiens" +"clidinium" 676 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 9.6 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=366" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL620" "ANTAGONIST" "Tclin" "Homo sapiens" +"clidinium" 676 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "Mechanism of Action; CHEMBL216; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL620" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL620" "ANTAGONIST" "Tclin" "Homo sapiens" +"clindamycin" 678 "50S ribosomal protein L10" "Ribosomal protein" "P15825" "rpl10" "RL10_HALMA" "WOMBAT-PK" "Haloarcula marismortui (strain ATCC 43049 / DSM 3752 / JCM 8966 / VKM B-1809)" +"clioquinol" 681 "Catechol O-methyltransferase" "Enzyme" "P22734" "Comt" "COMT_RAT" 5.32 "IC50" "Inhibition of Sprague-Dawley rat liver COMT after 10 mins using 0.05 uCi [14CH3]-SAM as substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL497" "Rattus norvegicus" +"clioquinol" 681 "Botulinum neurotoxin type A" "Enzyme" "P10845" "botA" "BXA1_CLOBO" 4.69 "IC50" "Inhibition of Clostridium botulinum BoNT/A LC expressed in Escherichia coli assessed as cleavage of SNAPtide preincubated for 5 mins followed by SNAPtide addition measured for 105 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL497" "Clostridium botulinum" +"clioquinol" 681 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 5.63 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL497" "Mus musculus" +"clioquinol" 681 "Amyloid beta A4 protein" "Unclassified" "P05067" "APP" "A4_HUMAN" 4 "IC50" "Inhibition of amyloid beta (1 to 42) aggregation (unknown origin) at 4:1 compound to protein concentration after 48 hrs by thioflavin T fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL497" "Homo sapiens" +"clobazam" 682 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL70418" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"clodronic acid" 690 "Tyrosine-protein phosphatase non-receptor type 1" "Enzyme" "P18031" "PTPN1" "PTN1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"clodronic acid" 690 "ADP/ATP translocase 3" "Enzyme" "P12236" "SLC25A6" "ADT3_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"clodronic acid" 690 "ADP/ATP translocase 1" "Transporter" "P12235" "SLC25A4" "ADT1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"clodronic acid" 690 "ADP/ATP translocase 2" "Enzyme" "P05141" "SLC25A5" "ADT2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"clofarabine" 691 "DNA polymerase alpha catalytic subunit" "Enzyme" "P09884" "POLA1" "DPOLA_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1750" "INHIBITOR" "Tclin" "Homo sapiens" +"clofarabine" 691 "Uridine-cytidine kinase 2" "Kinase" "Q9BZX2" "UCK2" "UCK2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"clofarabine" 691 "Uridine-cytidine kinase 1" "Kinase" "Q9HA47" "UCK1" "UCK1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"clofarabine" 691 "Ribose-phosphate pyrophosphokinase 1" "Kinase" "P60891" "PRPS1" "PRPS1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"clofarabine" 691 "Ribonucleoside-diphosphate reductase subunit M2" "Enzyme" "P31350" "RRM2" "RIR2_HUMAN" 8.3 "IC50" "Inhibition of growth of K562 cells" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6802" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1750" "INHIBITOR" "Tclin" "Homo sapiens" +"clofarabine" 691 "Ribonucleoside-diphosphate reductase large subunit" "Enzyme" "P23921" "RRM1" "RIR1_HUMAN" 8.3 "IC50" "Inhibition of K562 cell growth" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6802" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1750" "INHIBITOR" "Tclin" "Homo sapiens" +"clofazimine" 692 "Uncharacterized oxidoreductase CzcO-like" "Enzyme" "Q5L2G3" "CZCO_GEOKA" "WOMBAT-PK" "Geobacillus kaustophilus (strain HTA426)" +"clofazimine" 692 "Cruzipain" "Enzyme" "P25779" "CYSP_TRYCR" 5.22 "IC50" "Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in absence of Triton X-100" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1292" "Trypanosoma cruzi" +"clofibrate" 694 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 4.25 "IC50" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2667" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL565" "AGONIST" "Tclin" "Homo sapiens" +"clofibrate" 694 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 5.22 "Kd" "Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 5 deg C by fluorimetric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL565" "Rattus norvegicus" +"clofibric acid" 695 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 4.4 "EC50" "Effective concentration against human PPARalpha expressed in HepG2 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL683" "Tclin" "Homo sapiens" +"clofibric acid" 695 "Peroxisome proliferator-activated receptor alpha" "Transcription factor" "P23204" "Ppara" "PPARA_MOUSE" 7.38 "EC50" "Effective concentration against murine PPARalpha in transactivation assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL683" "Mus musculus" +"clofibric acid" 695 "Lipoprotein lipase" "Enzyme" "P06858" "LPL" "LIPL_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"clometacin" 698 "Prostaglandin-H2 D-isomerase" "Enzyme" "O09114" "Ptgds" "PTGDS_MOUSE" 6.7 "IC50" "Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL13376" "Mus musculus" +"clomifene" 700 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 6.460923901 "IC50" "DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomifene" 700 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.454692884 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomifene" 700 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.469800302 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomifene" 700 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.068033885 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomifene" 700 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.024568191 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomifene" 700 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.061980903 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomifene" 700 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.176525771 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomifene" 700 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.142064735 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomifene" 700 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.348721986 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomifene" 700 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.406713933 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomifene" 700 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.88941029 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomifene" 700 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.35753548 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomifene" 700 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.638272164 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomifene" 700 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.895512889 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomifene" 700 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.371202514 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomifene" 700 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.66756154 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomifene" 700 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.205511953 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomifene" 700 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomifene" 700 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.519418213 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"clomifene" 700 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 8.886056648 "Ki" "DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2355051" "MODULATOR" "Tclin" "Homo sapiens" +"clomifene" 700 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.978810701 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomifene" 700 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.599807511 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomifene" 700 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.777543663 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomifene" 700 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.821598658 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"clomifene" 700 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 5.597051171 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"clomifene" 700 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 7.522878745 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"clomifene" 700 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.7447 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"clomifene" 700 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.1871 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"clomifene" 700 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 8.1 "Ki" "Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2355051" "Tclin" "Homo sapiens" +"clomifene" 700 "C-8 sterol isomerase" "Enzyme" "P32352" "ERG2" "ERG2_YEAST" 6.8 "Ki" "Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2355051" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"clomifene" 700 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.71 "Ki" "Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells after 1.5 hrs by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2355051" "Tchem" "Homo sapiens" +"clomifene" 700 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 4.87 "IC50" "Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2355051" "Rattus norvegicus" +"clomifene" 700 "3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase" "Enzyme" "Q15125" "EBP" "EBP_HUMAN" 9 "Ki" "Affinity for human EMP expressed in ERG2 deficient strain of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2355051" "Tchem" "Homo sapiens" +"clomipramine" 701 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.41152048110962 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"clomipramine" 701 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 9.70335674285889 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL415" "INHIBITOR" "Tclin" "Homo sapiens" +"clomipramine" 701 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.18976736068726 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"clomipramine" 701 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.44977188110352 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"clomipramine" 701 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.65955591201782 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"clomipramine" 701 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.9503116607666 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"clomipramine" 701 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.27984046936035 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"clomipramine" 701 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.242603971 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomipramine" 701 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.818156412 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomipramine" 701 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.337242168 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomipramine" 701 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.007446482 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomipramine" 701 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.69572495 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomipramine" 701 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.657577319 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomipramine" 701 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.065501549 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomipramine" 701 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.443697499 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomipramine" 701 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.886056648 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomipramine" 701 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.420216403 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomipramine" 701 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.688246139 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomipramine" 701 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.397940009 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clomipramine" 701 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.13667714 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"clomipramine" 701 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 5.937418016 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"clomipramine" 701 "Trypanothione reductase" "Enzyme" "P28593" "TPR" "TYTR_TRYCR" 5.19 "Ki" "Compound was evaluated for the competitive inhibition of trypanothione reduction by recombinant Trypanothione reductase from Trypanosoma cruzi" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL415" "Trypanosoma cruzi" +"clomipramine" 701 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.71 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL415" "Tchem" "Homo sapiens" +"clomipramine" 701 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2a|Htr2b|Htr2c" "5HT2A_RAT|5HT2B_RAT|5HT2C_RAT" 8.08 "Ki" "Binding affinity towards 5-hydroxytryptamine 2 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL415" "Rattus norvegicus" +"clomipramine" 701 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.95 "Ki" "Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells after 1.5 hrs by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL415" "Tchem" "Homo sapiens" +"clomipramine" 701 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 7.29 "Ki" "Binding affinity towards alpha-2 adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL415" "Rattus norvegicus" +"clomipramine" 701 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 10.4 "IC50" "Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL415" "Rattus norvegicus" +"clomipramine" 701 "Serotonin 1 (5-HT1) receptor" "GPCR" "P19327|P28564|P28565|P30940" "Htr1a|Htr1b|Htr1d|Htr1f" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT" 5.3 "Ki" "Binding affinity towards serotonin S1 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL415" "Rattus norvegicus" +"clomipramine" 701 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.56 "IC50" "Displacement of [3H]Win35428 from human recombinant DAT over-expressed in CHOK1 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL415" "Tclin" "Homo sapiens" +"clomipramine" 701 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 9.7 "IC50" "Compound tested for its inhibitory activity against Histamine H1 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL415" "Rattus norvegicus" +"clomipramine" 701 "Serotonin (5-HT) receptor" "GPCR" "P08909|P14842|P19327|P28564|P28565|P30940|P30994|P31388|P32305|P35364|P35365|P35563|Q62758|Q9JJ16" "Htr1a|Htr1b|Htr1d|Htr1f|Htr2a|Htr2b|Htr2c|Htr3a|Htr3b|Htr4|Htr5a|Htr5b|Htr6|Htr7" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT|5HT2A_RAT|5HT2B_RAT|5HT2C_RAT|5HT3A_RAT|5HT3B_RAT|5HT4R_RAT|5HT5A_RAT|5HT5B_RAT|5HT6R_RAT|5HT7R_RAT" 8.3 "IC50" "Compound was tested for its inhibitory activity against 5-hydroxytryptamine receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL415" "Rattus norvegicus" +"clomipramine" 701 "Sodium-dependent noradrenaline transporter" "Transporter" "O55192" "Slc6a2" "SC6A2_MOUSE" 6.05 "IC50" "Inhibition of noradrenaline transporter in NMRI albino mouse brain assessed as [3H]NA accumulation in hypothalamus after 5 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL415" "Mus musculus" +"clomipramine" 701 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 7.25 "Ki" "Binding affinity towards Dopamine receptor D2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL415" "Rattus norvegicus" +"clomipramine" 701 "Sodium-dependent serotonin transporter" "Transporter" "Q60857" "Slc6a4" "SC6A4_MOUSE" 7.15 "IC50" "Inhibition of 5-HT transporter in NMRI albino mouse brain assessed as [3H]5-HT accumulation in hypothalamus after 5 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL415" "Mus musculus" +"clomipramine" 701 "Glutathione S-transferase P" "Enzyme" "P09211" "GSTP1" "GSTP1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"clomipramine" 701 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.6576 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"clomipramine" 701 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 6.3187 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"clomipramine" 701 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.4949 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"clomipramine" 701 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.4202 "Kd" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2398" "INHIBITOR" "Tclin" "Homo sapiens" +"clomipramine" 701 "Trypanothione reductase" "Unclassified" "P39051" "TPR" "TYTR_TRYBB" 5.47 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL415" "Trypanosoma brucei brucei" +"clomipramine" 701 "G protein-activated inward rectifier potassium channel 2" "Ion channel" "P48542" "Kcnj6" "KCNJ6_MOUSE" 4.4 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2398" "BLOCKER" "Mus musculus" +"clonazepam" 703 "GABA-A receptor; anion channel" "Ion channel" "O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14" "Gabra1|Gabra2|Gabra3|Gabra4|Gabra5|Gabra6|Gabrb1|Gabrb2|Gabrb3|Gabrd|Gabre|Gabrg1|Gabrg2|Gabrg3|Gabrp|Gabrq" "GBRA1_RAT|GBRA2_RAT|GBRA3_RAT|GBRA4_RAT|GBRA5_RAT|GBRA6_RAT|GBRB1_RAT|GBRB2_RAT|GBRB3_RAT|GBRD_RAT|GBRE_RAT|GBRG1_RAT|GBRG2_RAT|GBRG3_RAT|GBRP_RAT|Q91ZM7_RAT" 8.77 "IC50" "Displacement of [3H]diazepam from rat brain GABA-A benzodiazepine receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL452" "Rattus norvegicus" +"clonazepam" 703 "GABA-A receptor; anion channel" "Ion channel" "P08219|P08220|P10063|P10064|P20237|P22300" "GABRA1|GABRA2|GABRA3|GABRA4|GABRB1|GABRG2" "GBRA1_BOVIN|GBRA2_BOVIN|GBRA3_BOVIN|GBRA4_BOVIN|GBRB1_BOVIN|GBRG2_BOVIN" 9.07 "Ki" "In vitro inhibition of [3H]-Ro- 15-1788 binding to GABA-A Benzodiazepine receptor of bovine brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL452" "Bos taurus" +"clonazepam" 703 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 8.0706 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL452" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"clonazepam" 703 "GABA-A receptor; anion channel" "Ion channel" "O00591|O14764|P14867|P18505|P18507|P28472|P31644|P34903|P47869|P47870|P48169|P78334|Q16445|Q8N1C3|Q99928|Q9UN88" "GABRA1|GABRA2|GABRA3|GABRA4|GABRA5|GABRA6|GABRB1|GABRB2|GABRB3|GABRD|GABRE|GABRG1|GABRG2|GABRG3|GABRP|GABRQ" "GBRA1_HUMAN|GBRA2_HUMAN|GBRA3_HUMAN|GBRA4_HUMAN|GBRA5_HUMAN|GBRA6_HUMAN|GBRB1_HUMAN|GBRB2_HUMAN|GBRB3_HUMAN|GBRD_HUMAN|GBRE_HUMAN|GBRG1_HUMAN|GBRG2_HUMAN|GBRG3_HUMAN|GBRP_HUMAN|GBRT_HUMAN" 9.06999969482422 "Ki" "Displacement of [3H]flumazenil from bovine benzodiazepine receptor GABA-A channel of brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL452" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"clonidine" 704 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.7 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL134" "AGONIST" "Tclin" "Homo sapiens" +"clonidine" 704 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 6.5 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"clonidine" 704 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 5.990124366 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"clonidine" 704 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 6.59 "Kd" "The compound was tested for alpha-adrenergic activity against Alpha-1 adrenergic receptor from rat aorta." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL134" "Rattus norvegicus" +"clonidine" 704 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 8.82 "Ki" "In vitro binding affinity was measured as the inhibition of [3H]clonidine binding to alpha-2 adrenergic receptor of rat cortical membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL134" "Rattus norvegicus" +"clonidine" 704 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.5 "Ki" "Displacement of [3H]RX821001 from human alpha2B adrenoceptor expressed in CHO cells after 60 mins by gamma counter" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL134" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL134" "AGONIST" "Tclin" "Homo sapiens" +"clonidine" 704 "Alpha-2A adrenergic receptor" "GPCR" "Q28838" "ADRA2A" "ADA2A_BOVIN" 8.7 "IC50" "Concentration necessary to achieve half maximal inhibition of [3H]clonidine binding to Alpha-2 adrenergic receptor at 1 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL134" "Bos taurus" +"clonidine" 704 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.65 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL134" "Tchem" "Homo sapiens" +"clonidine" 704 "Nischarin" "Unclassified" "Q4G017" "Nisch" "NISCH_RAT" 6.95 "Ki" "Binding affinity to I1 imidazoline binding site in Rattus norvegicus (rat) PC12 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL134" "Rattus norvegicus" +"clonidine" 704 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 4.48 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL134" "Tchem" "Homo sapiens" +"clonidine" 704 "Nischarin" "Membrane receptor" "Q9Y2I1" "NISCH" "NISCH_HUMAN" 8.05 "Ki" "Displacement of [3H]-clonidine from bovine imidazoline receptor I-1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL134" "Tclin" "Homo sapiens" +"clonidine" 704 "Alpha-2B adrenergic receptor" "GPCR" "P19328" "Adra2b" "ADA2B_RAT" 8.08 "Ki" "Compound was tested in vitro for binding affinity against Alpha-2B adrenergic receptor from cloned rat RNG receptor transfected into Chinese hamster ovary (CHO) cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL134" "Rattus norvegicus" +"clonidine" 704 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.49 "Ki" "Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells after 30 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL134" "Tclin" "Homo sapiens" +"clonidine" 704 "Beta-1 adrenergic receptor" "GPCR" "B0FL73" "ADRB1" "B0FL73_CAVPO" 4.4 "Kd" "The compound was tested for beta-adrenergic activity against Beta-1 adrenergic receptor from guinea pig right atria" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL134" "Cavia porcellus" +"clonidine" 704 "Alpha-2A adrenergic receptor" "GPCR" "P22909" "Adra2a" "ADA2A_RAT" 9.41 "Ki" "Binding affinity towards alpha-2D adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL134" "Rattus norvegicus" +"clonidine" 704 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 8.42 "Ki" "Compound was tested in vitro for binding affinity against Alpha-2A adrenergic receptor from cloned human C-10 receptor transfected into Chinese hamster ovary (CHO) cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL134" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL134" "AGONIST" "Tclin" "Homo sapiens" +"clonidine" 704 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.7959 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"clonidine" 704 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 6.499999953 "Ki" "PDSP" "Tclin" "Homo sapiens" +"clonidine" 704 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.27 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL134" "Rattus norvegicus" +"clonidine" 704 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4" "Unclassified" "O70507" "Hcn4" "HCN4_MOUSE" 5 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=516" "BLOCKER" "Mus musculus" +"clonidine" 704 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2" "Ion channel" "O88703" "Hcn2" "HCN2_MOUSE" 5.1 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=516" "BLOCKER" "Mus musculus" +"clonidine" 704 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1" "Ion channel" "O88704" "Hcn1" "HCN1_MOUSE" 4.4 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=516" "BLOCKER" "Mus musculus" +"clonidine" 704 "Alpha-1D adrenergic receptor" "GPCR" "P23944" "Adra1d" "ADA1D_RAT" 6.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=516" "AGONIST" "Rattus norvegicus" +"clopidogrel" 708 "P2Y purinoceptor 12" "GPCR" "Q9H244" "P2RY12" "P2Y12_HUMAN" 6.9 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1771" "ANTAGONIST" "Tclin" "Homo sapiens" +"clopidogrel" 708 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.524328812 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clopidogrel" 708 "Cytochrome P450 2B6" "Enzyme" "P20813" "CYP2B6" "CP2B6_HUMAN" 6.3 "Ki" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"clorazepate" 711 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 7.47 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1213252" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"clorazepate" 711 "GABA-A receptor alpha-2/beta-3/gamma-2" "Ion channel" "P18507|P28472|P47869" "GABRA2|GABRB3|GABRG2" "GBRA2_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1213252" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"clorazepate" 711 "GABA-A receptor alpha-3/beta-3/gamma-2" "Ion channel" "P18507|P28472|P34903" "GABRA3|GABRB3|GABRG2" "GBRA3_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1213252" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"clorazepate" 711 "GABA-A receptor alpha-5/beta-3/gamma-2" "Ion channel" "P18507|P28472|P31644" "GABRA5|GABRB3|GABRG2" "GBRA5_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1213252" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"clorprenaline" 714 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.8247782 "Ki" "DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clorprenaline" 714 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.863279433 "Ki" "DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotiapine" 717 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm2|Chrm3|Chrm4|Chrm5" "ACM1_RAT|ACM2_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT" 6.87 "Ki" "In vitro binding affinity against Muscarinic acetylcholine receptors in rat brain." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL304902" "Rattus norvegicus" +"clotiapine" 717 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2a|Htr2b|Htr2c" "5HT2A_RAT|5HT2B_RAT|5HT2C_RAT" 9.23 "Ki" "Binding affinity against serotonin 5-hydroxytryptamine 2 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL304902" "Rattus norvegicus" +"clotiapine" 717 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 7.85 "Ki" "In vitro binding affinity against Dopamine receptor D1 in rat striatal tissue" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL304902" "Rattus norvegicus" +"clotiapine" 717 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 8.36 "Ki" "In vitro binding affinity against Dopamine D2 receptor in rat striatal tissue." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL304902" "Rattus norvegicus" +"clotiapine" 717 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.31 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL304902" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Nuclear receptor subfamily 1 group I member 3" "Nuclear hormone receptor" "Q14994" "NR1I3" "NR1I3_HUMAN" 6.16 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2330" "ANTAGONIST" "Tchem" "Homo sapiens" +"clotrimazole" 719 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.186218922 "Ki" "DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 4.378865279 "IC50" "DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 6.136082623 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.346016093 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.391260081 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 5.146545159 "Ki" "DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.350957366 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.514278574 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.104025268 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 4.995334767 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.497163361 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.1316495 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.120273503 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.234778634 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"clotrimazole" 719 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.428873723 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.046240308 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.466482138 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.294221787 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.781464495 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.286761538 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.676954265 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.785156152 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 5.829444941 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.267123959 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.353204311 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 5.106238238 "Ki" "DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.570893992 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"clotrimazole" 719 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.15583359 "Ki" "DRUGMATRIX: Dopamine D4.2 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"clotrimazole" 719 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 4.521390221 "IC50" "DRUGMATRIX: Carbonic Anhydrase II enzyme inhibition (substrate: 4-Nitrophenyl acetate (4-NPA))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.13200249 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.598427154 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.755722879 "Ki" "DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 4.711974465 "IC50" "DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 7.795880017 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"clotrimazole" 719 "Platelet-activating factor receptor" "GPCR" "P25105" "PTAFR" "PTAFR_HUMAN" 4.645219501 "Ki" "DRUGMATRIX: Platelet Activating Factor (PAF) radioligand binding (ligand: [3H] PAF)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"clotrimazole" 719 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 4.158509135 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Substance-P receptor" "GPCR" "P25103" "TACR1" "NK1R_HUMAN" 5.058140873 "Ki" "DRUGMATRIX: Tachykinin NK1 radioligand binding (ligand: [3H] Substance P)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 7.795880017 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"clotrimazole" 719 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 4.496876928 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 4.177799219 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 7.853871964 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"clotrimazole" 719 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.470698002 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"clotrimazole" 719 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.112157735 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"clotrimazole" 719 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 4.906123245 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"clotrimazole" 719 "Cysteinyl leukotriene receptor 1" "GPCR" "Q2NNR5" "CYSLTR1" "CLTR1_CAVPO" 4.780258339 "Ki" "DRUGMATRIX: Cysteinyl leukotriene receptor 1 radioligand binding (ligand: [3H]LTD4)" "DRUG MATRIX" "=" "Cavia porcellus" +"clotrimazole" 719 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 5.941573976 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"clotrimazole" 719 "Steroid 17-alpha-hydroxylase/17,20 lyase" "Enzyme" "P05093" "CYP17A1" "CP17A_HUMAN" 7.0888 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"clotrimazole" 719 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 7.699 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.1739 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"clotrimazole" 719 "Intermediate conductance calcium-activated potassium channel protein 4" "Ion channel" "O15554" "KCNN4" "KCNN4_HUMAN" 7.15 "IC50" "Inhibition of human cloned IK1 expressed in african green monkey COS7 cells by whole cell patch clamp assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL104" "Tchem" "Homo sapiens" +"clotrimazole" 719 "Beta-lactamase" "Enzyme" "P00811" "ampC" "AMPC_ECOLI" 4.7 "IC50" "Compound was tested for the inhibition of beta-lactamase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL104" "Escherichia coli (strain K12)" +"clotrimazole" 719 "Bile acid receptor" "Nuclear hormone receptor" "Q96RI1" "NR1H4" "NR1H4_HUMAN" 5.49 "IC50" "Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL104" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 8.74 "IC50" "Inhibition of human placental microsome CYP19" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL104" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Lanosterol 14-alpha demethylase" "Enzyme" "Q16850" "CYP51A1" "CP51A_HUMAN" 6.89 "IC50" "Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL104" "Tchem" "Homo sapiens" +"clotrimazole" 719 "Alpha-chymotrypsin" "Unclassified" "P00766" "CTRA_BOVIN" 4.07 "IC50" "Compound was tested for the inhibition of Chymotrypsinogen" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL104" "Bos taurus" +"clotrimazole" 719 "Lanosterol 14-alpha demethylase" "Enzyme" "P9WPP9" "cyp51" "CP51_MYCTU" 6.7 "Kd" "Binding affinity to Mycobacterium tuberculosis CYP51" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL104" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"clotrimazole" 719 "Vasopressin V2 receptor" "GPCR" "P30518" "AVPR2" "V2R_HUMAN" 5.6 "IC50" "Inhibition of vasopressin-stimulated vasopressin V2 receptor in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL104" "Tclin" "Homo sapiens" +"clotrimazole" 719 "14-alpha sterol demethylase" "Enzyme" "Q96W81" "cyp51B" "Q96W81_ASPFM" 6.99 "Kd" "Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme B expressed in Escherichia coli assessed as tight binding affinity constant" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL104" "Neosartorya fumigata" +"clotrimazole" 719 "14-alpha sterol demethylase Cyp51A" "Enzyme" "Q4WNT5" "Q4WNT5_ASPFU" 5.32 "Kd" "Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme A expressed in Escherichia coli" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL104" "Neosartorya fumigata (strain ATCC MYA-4609 / Af293 / CBS 101355 / FGSC A1100)" +"clotrimazole" 719 "Malate dehydrogenase cytoplasmic " "Enzyme" "P40925" "MDH1" "MDHC_HUMAN" 4.46 "IC50" "Inhibition of malate dehydrogenase (MDH)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL104" "Tbio" "Homo sapiens" +"clotrimazole" 719 "Putative cytochrome P450 130" "Unclassified" "P9WPN5" "cyp130" "CP130_MYCTU" 4.88 "Kd" "Binding affinity to Mycobacterium tuberculosis CYP130" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL104" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"clotrimazole" 719 "C-C chemokine receptor type 4" "GPCR" "P51679" "CCR4" "CCR4_HUMAN" 5.8 "IC50" "Inverse agonist activity at CCR4 in human HTLA cells assessed as depression of basal activity incubated for 20 mins by beta arrestin-recruitment mediated luciferase reporter gene assay in absence of CCL22" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL104" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P28776" "Ido1" "I23O1_MOUSE" 4.29 "IC50" "Inhibition of mouse Ido1 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL104" "Mus musculus" +"clotrimazole" 719 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.52 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL104" "Tclin" "Homo sapiens" +"clotrimazole" 719 "C-X-C chemokine receptor type 1" "GPCR" "P25024" "CXCR1" "CXCR1_HUMAN" 5.7 "IC50" "Inhibition of CX3CL1-stimulated CX3CR1 in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL104" "Tchem" "Homo sapiens" +"clotrimazole" 719 "Indoleamine 2,3-dioxygenase 2" "Enzyme" "Q8R0V5" "Ido2" "I23O2_MOUSE" 5.23 "IC50" "Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL104" "Mus musculus" +"clotrimazole" 719 "Potassium voltage-gated channel subfamily A member 3" "Ion channel" "P22001" "KCNA3" "KCNA3_HUMAN" 5.22 "IC50" "Inhibition of cloned Kv1.3 channel expressed in mammalian cells by whole cell patch clamp assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL104" "Tclin" "Homo sapiens" +"clotrimazole" 719 "Lanosterol 14-alpha demethylase" "Enzyme" "P10613" "ERG11" "CP51_CANAL" "Mechanism of Action; CHEMBL1780; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL104" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL104" "INHIBITOR" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"clotrimazole" 719 "Cysteinyl leukotriene receptor 1" "GPCR" "Q9Y271" "CYSLTR1" "CLTR1_HUMAN" 4.78000020980835 "Ki" "DRUGMATRIX: Cysteinyl leukotriene receptor 1 radioligand binding (ligand: [3H]LTD4)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL104" "Tclin" "Homo sapiens" +"clotrimazole" 719 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 4.75 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL104" "Rattus norvegicus" +"clotrimazole" 719 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 4.58 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL104" "Rattus norvegicus" +"cloxacillin" 720 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" +"cloxacillin" 720 "Beta-lactamase TEM" "Enzyme" "P62594" "bla" "BLAT_SALTI" 4.89 "Ki" "WOMBAT-PK" "=" "Salmonella typhi" +"cloxacillin" 720 "Beta-lactamase TEM" "Enzyme" "P62593" "bla; blaT-3; blaT-4;" "BLAT_ECOLX" 4.89 "Ki" "Inhibition constant (Ki) for TEM-1 beta-lactamase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL891" "Escherichia coli" +"cloxacillin" 720 "Beta-lactamase" "Enzyme" "A4ZYU9" "blaACC-4" "A4ZYU9_ECOLX" 7.59 "IC50" "Inhibition of Escherichia coli beta-lactamase ACC4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL891" "Escherichia coli" +"cloxacillin" 720 "Efflux transporter; SugE" "Unclassified" "Q3S5C3" "sugE" "Q3S5C3_SALNE" 8.4 "IC50" "Inhibition of Salmonella enterica serotype Newport AM17274 cephalosporinase CMY-31 by UV spectrophotometer in presence of 100 uM of cephalothin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL891" "Salmonella newport" +"cloxacillin" 720 "Beta-lactamase" "Enzyme" "Q48435" "bla LAT-2" "Q48435_KLEPN" 8.4 "IC50" "Inhibition of Klebsiella pneumoniae HP205 cephalosporinase CMY-36 by UV spectrophotometer in presence of 100 uM of cephalothin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL891" "Klebsiella pneumoniae" +"cloxacillin" 720 "Penicillin-binding protein" "Enzyme" "P72355|Q53707|Q53725|Q53729|Q9XDB3" "PBP2|mecA|pbp4|pbpA|pbpF" "P72355_STAAU|Q53707_STAAU|Q53725_STAAU|Q53729_STAAU|Q9XDB3_STAAU" "Mechanism of Action; CHEMBL2363021; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL891" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL891" "INHIBITOR" "Staphylococcus aureus" +"clozapine" 722 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 8.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=38" "ANTAGONIST" "Rattus norvegicus" +"clozapine" 722 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.52 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tchem" "Homo sapiens" +"clozapine" 722 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.5911 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"clozapine" 722 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 9.2 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"clozapine" 722 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 6.5941 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"clozapine" 722 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=38" "ANTAGONIST" "Tclin" "Homo sapiens" +"clozapine" 722 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 6.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=38" "AGONIST" "Tclin" "Homo sapiens" +"clozapine" 722 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 6.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=38" "AGONIST" "Tchem" "Homo sapiens" +"clozapine" 722 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 6.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=38" "AGONIST" "Tclin" "Homo sapiens" +"clozapine" 722 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=38" "AGONIST" "Tclin" "Homo sapiens" +"clozapine" 722 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.444905551 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"clozapine" 722 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.59 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"clozapine" 722 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.42 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"clozapine" 722 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 7.78 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"clozapine" 722 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.26 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"clozapine" 722 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.3 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "ANTAGONIST" "Tclin" "Homo sapiens" +"clozapine" 722 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.86 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "ANTAGONIST" "Tclin" "Homo sapiens" +"clozapine" 722 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.89 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"clozapine" 722 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.98 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"clozapine" 722 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 7.28 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"clozapine" 722 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 8.54 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"clozapine" 722 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 5.3565 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"clozapine" 722 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.7916 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"clozapine" 722 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.2218 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"clozapine" 722 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.3 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"clozapine" 722 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 8.1813 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"clozapine" 722 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 8.23 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"clozapine" 722 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.8153 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"clozapine" 722 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.1 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"clozapine" 722 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.95 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"clozapine" 722 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.05 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"clozapine" 722 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.6 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"clozapine" 722 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.1541 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"clozapine" 722 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 5.2 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"clozapine" 722 "UDP-glucuronosyltransferase 1-4" "Enzyme" "P22310" "UGT1A4" "UD14_HUMAN" 4.2076 "app Km" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"clozapine" 722 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.83 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"clozapine" 722 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 6.41 "Ki" "Binding affinity to rat NET" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Rattus norvegicus" +"clozapine" 722 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 6.81 "IC50" "Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Tchem" "Homo sapiens" +"clozapine" 722 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 8.42 "Ki" "Displacement of [3H]mepyramine from histamine H1 receptor in guinea pig cerebellum after 60 mins by liquid scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Cavia porcellus" +"clozapine" 722 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 6.16 "Ki" "Inhibition of [3H]nisoxetine binding to rat Norepinephrine transporter" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Rattus norvegicus" +"clozapine" 722 "Dopamine receptor" "GPCR" "P20288|Q95136" "DRD1|DRD2" "DRD1_BOVIN|DRD2_BOVIN" 6.74 "IC50" "Inhibition of [3H]haloperidol binding to Dopamine receptor in calf caudate nuclei." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Bos taurus" +"clozapine" 722 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 8.2 "Ki" "Binding affinity towards rat 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Rattus norvegicus" +"clozapine" 722 "D(1A) dopamine receptor" "GPCR" "Q95136" "DRD1" "DRD1_BOVIN" 6.38 "Ki" "Binding affinity against bovine dopamine receptor D1 using radioligand [3H]-SCH- 23390" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Bos taurus" +"clozapine" 722 "Beta-1 adrenergic receptor" "GPCR" "P18090" "Adrb1" "ADRB1_RAT" 4.59 "Ki" "Binding affinity measured at the Beta-1 adrenergic receptor by the inhibition of [3H]DHA binding to rat cortex using unlabeled isoprenalin for nonspecific binding." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Rattus norvegicus" +"clozapine" 722 "D(4) dopamine receptor" "GPCR" "P30729" "Drd4" "DRD4_RAT" 8.05 "Ki" "Binding affinity of [3H]-spiperone towards cloned mammalian Dopamine receptor D4 expressed in cultured cells or from rat whole brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Rattus norvegicus" +"clozapine" 722 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm2|Chrm3|Chrm4|Chrm5" "ACM1_RAT|ACM2_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT" 7.6 "Ki" "In vitro binding affinity against Muscarinic acetylcholine receptors in rat brain." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Rattus norvegicus" +"clozapine" 722 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.2 "Ki" "Binding affinity to 5-HT1A receptor (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Tclin" "Homo sapiens" +"clozapine" 722 "D(2) dopamine receptor" "GPCR" "P61168" "Drd2" "DRD2_MOUSE" 6.54 "IC50" "Inhibition of mouse Dopamine receptor D2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Mus musculus" +"clozapine" 722 "D(2) dopamine receptor" "GPCR" "P20288" "DRD2" "DRD2_BOVIN" 6.16 "Ki" "Binding affinity was evaluated for the displacement of [3H]spiperone against bovine Dopamine receptor D2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Bos taurus" +"clozapine" 722 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 6.79 "Ki" "Displacement of [3H]nemonapride from Rattus norvegicus (rat) wild type dopamine D3 receptor transfected in african green monkey COS7 cells after 1 hr by beta scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Rattus norvegicus" +"clozapine" 722 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 6 "Ki" "Binding affinity towards human 5-hydroxytryptamine 5A receptor was evaluated using [3H]-5-CT as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Tchem" "Homo sapiens" +"clozapine" 722 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2a|Htr2b|Htr2c" "5HT2A_RAT|5HT2B_RAT|5HT2C_RAT" 8.74 "Ki" "Binding affinity determined in radioreceptor binding assay by using [3H]ketanserin radioligand against 5-hydroxytryptamine 2 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Rattus norvegicus" +"clozapine" 722 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd2|Drd3|Drd4|Drd5" "DRD1_RAT|DRD2_RAT|DRD3_RAT|DRD4_RAT|DRD5_RAT" 6.49 "Ki" "In vitro ability to displace [3H]spiroperidol from rat dopamine receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Rattus norvegicus" +"clozapine" 722 "5-hydroxytryptamine receptor 3A" "Ion channel" "P23979" "Htr3a" "5HT3A_MOUSE" 7.49 "Ki" "Compound was tested for the Binding affinity against N1e-115 neuroblastoma 5-hydroxytryptamine 3 receptor by Radio ligand [3H]GR-65630 binding assay." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Mus musculus" +"clozapine" 722 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 7.24 "Ki" "Binding affinity towards alpha-2 adrenergic receptors in rat brain synaptosomal preparations" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Rattus norvegicus" +"clozapine" 722 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 6.8 "IC50" "Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]prazosin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Bos taurus" +"clozapine" 722 "Serotonin 3 (5-HT3) receptor" "Ion channel" "P35563|Q9JJ16" "Htr3a|Htr3b" "5HT3A_RAT|5HT3B_RAT" 7.28 "Ki" "Affinity was evaluated as inhibition constant for serotonin 5-hydroxytryptamine 3 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Rattus norvegicus" +"clozapine" 722 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 8.68 "Ki" "Compound was tested for the binding affinity against rat cortical Muscarinic acetylcholine receptor M1 by radioligand [3H]pirenzepine binding assay." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Rattus norvegicus" +"clozapine" 722 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.41 "Ki" "Binding affinity to human SERT" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Tclin" "Homo sapiens" +"clozapine" 722 "Adenylate cyclase" "Enzyme" "D4A3N4|P21932|P26769|P26770|P40146|Q03343|Q04400|Q8CFM9" "Adcy1|Adcy2|Adcy3|Adcy4|Adcy5|Adcy6|Adcy8" "ADCY2_RAT|ADCY3_RAT|ADCY4_RAT|ADCY5_RAT|ADCY6_RAT|ADCY8_RAT|D4A3N4_RAT|Q8CFM9_RAT" 6.85 "IC50" "Inhibition of dopamine-sensitive rat brain adenylyl cyclase activity assessed as cAMP level" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Rattus norvegicus" +"clozapine" 722 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 7.34 "Ki" "Compound was tested for the binding affinity against rat heart Muscarinic acetylcholine receptor M2 by Radio ligand [3H]quinuclidinyl binding assay." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Rattus norvegicus" +"clozapine" 722 "D(3) dopamine receptor" "GPCR" "P52703" "DRD3" "DRD3_CHLAE" 6.33 "Ki" "Displacement of [3H]-YM 09151 from african monkey Dopamine receptor D3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Chlorocebus aethiops" +"clozapine" 722 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.66 "Ki" "Binding affinity measured at the Alpha-1A adrenergic receptor by the inhibition of [3H]prazosin binding to rat cortex using unlabeled WB-4101 for nonspecific binding." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Rattus norvegicus" +"clozapine" 722 "Serotonin 1 (5-HT1) receptor" "GPCR" "P19327|P28564|P28565|P30940" "Htr1a|Htr1b|Htr1d|Htr1f" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT" 6.68 "Ki" "The binding affinity was measured on serotonin 5-hydroxytryptamine 1 receptor in rat brain tissue" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Rattus norvegicus" +"clozapine" 722 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.6 "IC50" "Affinity towards 5-hydroxytryptamine 1B receptor in membranes from rat frontal cortex using [3H]5-HT" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Rattus norvegicus" +"clozapine" 722 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 7.41 "Ki" "The compound was tested for its binding affinity towards 5-hydroxytryptamine 1A receptor by displacing [3H]WB-4101 radioligand in rat hippocampus" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Rattus norvegicus" +"clozapine" 722 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 7.37 "Ki" "Affinity was evaluated as inhibition constant for dopamine receptor D1 using [3H]-SCH- 23390 as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Rattus norvegicus" +"clozapine" 722 "Alpha-2A adrenergic receptor" "GPCR" "P22909" "Adra2a" "ADA2A_RAT" 7.72 "Ki" "Binding affinity measured at the Alpha-2 adrenergic receptor by the inhibition of [3H]clonidine binding to rat cortex using unlabeled NAbitartrate for nonspecific binding." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Rattus norvegicus" +"clozapine" 722 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 8.54 "Ki" "In vitro binding affinity towards Histamine H1 receptor of rat frontal cortex homogenate by using radioligand [3H]pyrilamine" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Rattus norvegicus" +"clozapine" 722 "D(2) dopamine receptor" "GPCR" "P52702" "DRD2" "DRD2_CHLAE" 6.6 "Ki" "Displacement of [3H]-YM 09151 from african green monkey Dopamine receptor D2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Chlorocebus aethiops" +"clozapine" 722 "Serotonin 2 (5-HT2) receptor" "GPCR" "P34968|P35363|Q02152" "Htr2a|Htr2b|Htr2c" "5HT2A_MOUSE|5HT2B_MOUSE|5HT2C_MOUSE" 7.55 "IC50" "Inhibitory activity against serotonin 5-hydroxytryptamine 2 receptor from mice." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Mus musculus" +"clozapine" 722 "5-hydroxytryptamine receptor 2A" "GPCR" "Q75Z89" "HTR2A" "5HT2A_BOVIN" 8.52 "IC50" "Affinity towards 5-hydroxytryptamine 2A receptor in membranes from bovine frontal cortex using [3H]ketanserin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Bos taurus" +"clozapine" 722 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 7.47 "Ki" "In vitro binding affinity for dopamine receptor D2 of rat nucleus accumbens labeled with [3H]spiperone" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Rattus norvegicus" +"clozapine" 722 "D(1A) dopamine receptor" "GPCR" "P50130" "DRD1" "DRD1_PIG" 6.38 "Ki" "Displacement of [3H]SCH 23990 from dopamine receptor D1 in porcine striatal membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Sus scrofa" +"clozapine" 722 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 8.1 "Ki" "Affinity was evaluated as inhibition constant for serotonin 5-hydroxytryptamine 2C receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Rattus norvegicus" +"clozapine" 722 "5-hydroxytryptamine receptor 1A" "GPCR" "Q64264" "Htr1a" "5HT1A_MOUSE" 5.7 "IC50" "Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Mus musculus" +"clozapine" 722 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 8.22 "Ki" "Displacement of [3H]ketanserin from 5HT2A receptor in rat cortical membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "Rattus norvegicus" +"clozapine" 722 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.782516056 "Ki" "PDSP" "Tclin" "Homo sapiens" +"clozapine" 722 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.301029996 "Ki" "PDSP" "Tclin" "Homo sapiens" +"clozapine" 722 "5-hydroxytryptamine receptor 5A" "Unclassified" "P30966" "Htr5a" "5HT5A_MOUSE" 5.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=38" "ANTAGONIST" "Mus musculus" +"clozapine" 722 "5-hydroxytryptamine receptor 7" "GPCR" "P32304" "Htr7" "5HT7R_MOUSE" 7.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=38" "ANTAGONIST" "Mus musculus" +"clozapine" 722 "Histamine H4 receptor" "GPCR" "Q91ZY1" "Hrh4" "HRH4_RAT" 5.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=38" "ANTAGONIST" "Rattus norvegicus" +"clozapine" 722 "Histamine H4 receptor" "GPCR" "Q91ZY2" "Hrh4" "HRH4_MOUSE" 5.5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=38" "ANTAGONIST" "Mus musculus" +"clozapine" 722 "Histamine H3 receptor" "GPCR" "Q9QYN8" "Hrh3" "HRH3_RAT" 5.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=38" "ANTAGONIST" "Rattus norvegicus" +"cocaine" 723 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 7.35 "Ki" "Binding affinity towards serotonin transporter 5-HTT was determined using [3H]paroxetine radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL120901" "Rattus norvegicus" +"cocaine" 723 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 5.5 "Ki" "Displacement of [3H]nisoxetine from NET in rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL120901" "Rattus norvegicus" +"cocaine" 723 "Dopamine transporter" "Unclassified" "P27922" "SLC6A3" "SC6A3_BOVIN" 7.19 "IC50" "In vitro inhibitory activity towards [3H]cocaine binding to rat striatal tissue" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL120901" "Bos taurus" +"cocaine" 723 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 6.97 "Ki" "Inhibition of high affinity uptake of [3H]NE by norepinephrine transporter in nerve endings obtained from rat brain." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL120901" "Rattus norvegicus" +"cocaine" 723 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.31 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL120901" "Tclin|Tclin|Tclin" "Homo sapiens" +"cocaine" 723 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 7.49 "Ki" "Displacement of [3H]WIN-35428 from dopamine transporter (DAT) in Rat Caudate Putamen" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL120901" "Rattus norvegicus" +"cocaine" 723 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 4.21 "Ki" "Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 of rat brain membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL120901" "Rattus norvegicus" +"cocaine" 723 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 5.05 "Ki" "Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL120901" "Tclin" "Homo sapiens" +"cocaine" 723 "Dopamine transporter" "Unclassified" "Q9GJT6" "SLC6A3" "SC6A3_MACFA" 7.02 "IC50" "Inhibition of [3H]WIN-35428 binding to dopamine transporter (DAT) of cynomolgus monkey caudate-putamen" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL120901" "Macaca fascicularis" +"cocaine" 723 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.57 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cocaine" 723 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.92 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cocaine" 723 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"cocaine" 723 "Cocaine- and amphetamine-regulated transcript protein" "Transcription factor" "Q16568" "CARTPT" "CART_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"cocaine" 723 "Sodium- and chloride-dependent GABA transporter 1" "Transporter" "P30531" "SLC6A1" "SC6A1_HUMAN" 5.5 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cocaine" 723 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 5.71 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cocaine" 723 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.1 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cocaine" 723 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.67 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cocaine" 723 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 5.68 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cocaine" 723 "Sodium channel protein type 11 subunit alpha" "Ion channel" "Q9UI33" "SCN11A" "SCNBA_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"cocaine" 723 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 5.47 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cocaine" 723 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.14 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cocaine" 723 "Serotonin 3 receptor (5HT3)" "Ion channel" "O95264|P46098" "HTR3A|HTR3B" "5HT3A_HUMAN|5HT3B_HUMAN" 4.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2286" "ANTAGONIST" "Tchem|Tclin" "Homo sapiens" +"cocaine" 723 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" "UNKNOWN" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2286" "INHIBITOR" "Tclin" "Homo sapiens" +"codeine" 725 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 4.59 "Ki" "Displacement of [3H]diprenorphine from recombinant kappa opioid receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL485" "AGONIST" "Tclin" "Homo sapiens" +"codeine" 725 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 4.28 "Ki" "Displacement of [3H]diprenorphine from recombinant delta opioid receptor expressed in C6 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL485" "AGONIST" "Tclin" "Homo sapiens" +"codeine" 725 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 6.14 "Ki" "Displacement of [3H]diprenorphine from recombinant mu opioid receptor expressed in C6 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL485" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL485" "AGONIST" "Tclin" "Homo sapiens" +"codeine" 725 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprk1|Oprm1|Sigmar1" "OPRD_RAT|OPRK_RAT|OPRM_RAT|SGMR1_RAT" 8 "IC50" "50% Inhibition of stereospecific [3H]-naltrexone (10e-9 M) binding towards opiate receptor in rat brain homogenate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL485" "Rattus norvegicus" +"colchicine" 726 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"colchicine" 726 "Glycine receptor subunit alpha-2" "Ion channel" "P23416" "GLRA2" "GLRA2_HUMAN" 4.1938 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"colchicine" 726 "Tubulin beta-4B chain" "Structural" "P68371" "TUBB4B" "TBB4B_HUMAN" 5.2403 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"colchicine" 726 "Tubulin" "Structural" "P02550|P02554" "TUBA1A" "TBA1A_PIG|TBB_PIG" 5.24 "Ki" "Binding affinity against tubulin usingf [3H]-colchicine as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL107" "Sus scrofa" +"colchicine" 726 "Tubulin alpha-1A chain" "Structural" "P02550" "TUBA1A" "TBA1A_PIG" 5.6 "Ki" "Compound was evaluated for its ability to inhibit the binding of [3H]-colchicine to tubulin in competitive binding assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL107" "Sus scrofa" +"colchicine" 726 "Tubulin beta-2B chain" "Structural" "Q6B856" "TUBB2B" "TBB2B_BOVIN" 6.11 "Ki" "Binding constant at colchicine site of bovine brain tubulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL107" "Bos taurus" +"colchicine" 726 "Tubulin" "Structural" "Q6B856|Q862F3|Q862L2" "TUBB2B" "Q862F3_BOVIN|Q862L2_BOVIN|TBB2B_BOVIN" 6.1 "IC50" "Inhibition of bovine brain tubulin polymerization (ITP)." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL107" "Bos taurus" +"colchicine" 726 "Tubulin polymerization-promoting protein" "Unclassified" "Q27957" "TPPP" "TPPP_BOVIN" 6.12 "EC50" "Inhibition of Bos taurus (bovine) brain tubulin polymerization" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL107" "Bos taurus" +"colchicine" 726 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 3.4895 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"colchicine" 726 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 3.8013 "Kd" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"colchicine" 726 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 4.19 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"colchicine" 726 "Tubulin beta chain" "Structural" "P07437" "TUBB" "TBB5_HUMAN" 5.2403 "Ki" "WOMBAT-PK" "=" "INHIBITOR" "Tclin" "Homo sapiens" +"cholestyramine" 727 "bile acids" "Metabolite" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/4859983" "http://www.ncbi.nlm.nih.gov/pubmed/4859983" "CHELATING AGENT" +"colestipol" 728 "bile acids" "Metabolite" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/017563s023,020222s005lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/017563s023,020222s005lbl.pdf" "CHELATING AGENT" +"colforsin daropate" 729 "Adenylate cyclase type 1" "Enzyme" "Q08828" "ADCY1" "ADCY1_HUMAN" 7.3899998664856 "IC50" "Inhibition of [125 I]6-IHPP-forskolin binding to adenylate cyclase 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL52606" "Tchem" "Homo sapiens" +"colforsin daropate" 729 "Solute carrier family 2, facilitated glucose transporter member 1" "Transporter" "P11166" "SLC2A1" "GTR1_HUMAN" 5.30000019073486 "Kd" "Inhibition of [125I]7-IHPP-Fsk binding to glucose transporter of human erythrocyte membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL52606" "Tchem" "Homo sapiens" +"colforsin daropate" 729 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.21999979019165 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL52606" "Tclin|Tclin|Tclin" "Homo sapiens" +"colforsin daropate" 729 "Adenylate cyclase type 1" "Unclassified" "P19754" "ADCY1" "ADCY1_BOVIN" 7.54 "Kd" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL52606" "Bos taurus" +"conivaptan" 732 "Vasopressin V2 receptor" "GPCR" "P30518" "AVPR2" "V2R_HUMAN" 9.44 "Ki" "Displacement [3H]Arg human recombinant Vasopressin V2 receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1755" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1755" "ANTAGONIST" "Tclin" "Homo sapiens" +"conivaptan" 732 "Vasopressin V1a receptor" "GPCR" "P37288" "AVPR1A" "V1AR_HUMAN" 9.37 "Ki" "Displacement [3H]Arg human recombinant Vasopressin V1a receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1755" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1755" "ANTAGONIST" "Tclin" "Homo sapiens" +"cortisone acetate" 734 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 6.02 "Kd" "WOMBAT-PK" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D00973" "AGONIST" "Tclin" "Homo sapiens" +"cortisone acetate" 734 "Annexin A1" "Cytosolic other" "P04083" "ANXA1" "ANXA1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"cortisone acetate" 734 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 6.43 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1650" "Tchem" "Homo sapiens" +"cortisone acetate" 734 "Potassium voltage-gated channel subfamily A member 1" "Ion channel" "Q09470" "KCNA1" "KCNA1_HUMAN" 4.48 "EC50" "Activation of KV1.1 expressed in Xenopus laevis oocytes coexpressing Kvbeta1 W155A mutant assessed as increase in steady state current normalized to initial inactivating current by electrophysiology method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1650" "Tclin" "Homo sapiens" +"cortisone acetate" 734 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 4.67 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1650" "Tchem" "Homo sapiens" +"cortisone acetate" 734 "Protein farnesyltransferase" "Enzyme" "P49354|P49356" "FNTA|FNTB" "FNTA_HUMAN|FNTB_HUMAN" 4.84999990463257 "IC50" "inhibitory activity against human Farnesyltransferase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1650" "Homo sapiens" +"cortisone acetate" 734 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 6.89 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1650" "Tbio" "Homo sapiens" +"cortivazol" 736 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D03594" "http://www.kegg.jp/entry/D03594" "AGONIST" "Tclin" "Homo sapiens" +"cotinine" 737 "Neuronal acetylcholine receptor subunit alpha-2" "Ion channel" "Q15822" "CHRNA2" "ACHA2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"coumarin" 738 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5.51 "Ki" "Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6466" "Tclin" "Homo sapiens" +"coumarin" 738 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.17 "Ki" "Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6466" "Tclin" "Homo sapiens" +"coumarin" 738 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 5.03 "Ki" "Inhibition of human carbonic anhydrase 5A by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6466" "Tclin" "Homo sapiens" +"coumarin" 738 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 5.28 "Ki" "Inhibition of human carbonic anhydrase 5B by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6466" "Tclin" "Homo sapiens" +"coumarin" 738 "Amine oxidase [flavin-containing] A" "Enzyme" "P21396" "Maoa" "AOFA_RAT" 4.39 "IC50" "Inhibitory effect on monoamine oxidase A, SD on IC50 values < 10%" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6466" "Rattus norvegicus" +"coumarin" 738 "Amine oxidase [flavin-containing] B" "Enzyme" "P19643" "Maob" "AOFB_RAT" 4.92 "IC50" "Inhibitory effect on Monoamine oxidase B, SD on IC50 values < 10%" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6466" "Rattus norvegicus" +"coumarin" 738 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.04 "Ki" "Inhibition of full length human CA2 cytosolic isoform by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6466" "Tclin" "Homo sapiens" +"coumarin" 738 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 5.25 "Ki" "Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6466" "Tclin" "Homo sapiens" +"coumarin" 738 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 7.32 "Ki" "Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6466" "Tclin" "Homo sapiens" +"coumarin" 738 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 5.48 "Ki" "Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6466" "Tclin" "Homo sapiens" +"coumarin" 738 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 5.04 "Ki" "Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6466" "Mus musculus" +"coumarin" 738 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.05 "Ki" "Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6466" "Tclin" "Homo sapiens" +"coumarin" 738 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 5.04 "Ki" "Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6466" "Tclin" "Homo sapiens" +"coumarin" 738 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 4.4 "Ki" "Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6466" "Mus musculus" +"coumarin" 738 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 5.7 "Ki" "Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6466" "Tclin" "Homo sapiens" +"cromoglicic acid" 741 "Protein S100-P" "Unclassified" "P25815" "S100P" "S100P_HUMAN" "cromolyn blocked the coimmunoprecipitation of S100P and RAGE" "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/17179482" "Tbio" "Homo sapiens" +"cromoglicic acid" 741 "G-protein coupled receptor 35" "GPCR" "Q9ES90" "Gpr35" "GPR35_MOUSE" 5.32 "EC50" "Agonist activity at mouse GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter gene assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL74" "Mus musculus" +"cromoglicic acid" 741 "G protein-coupled receptor GPR35" "GPCR" "Q33BM1" "Gpr35" "Q33BM1_RAT" 6.01 "EC50" "Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter gene assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL74" "Rattus norvegicus" +"cromoglicic acid" 741 "G-protein coupled receptor 35" "GPCR" "Q9HC97" "GPR35" "GPR35_HUMAN" 5.63 "Ki" "Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL74" "Tchem" "Homo sapiens" +"cyamemazine" 746 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 5.53120994567871 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"cyamemazine" 746 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.60206031799316 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"cyamemazine" 746 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 8.42021656036377 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"cyamemazine" 746 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.49485015869141 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"cyamemazine" 746 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.236572265625 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"cyamemazine" 746 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.88605642318726 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"cyamemazine" 746 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.45593214035034 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"cyamemazine" 746 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.92081880569458 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"cyamemazine" 746 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.37675094604492 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"cyamemazine" 746 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=84" "ANTAGONIST" "Tclin" "Homo sapiens" +"cyamemazine" 746 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=84" "ANTAGONIST" "Tclin" "Homo sapiens" +"cyamemazine" 746 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 7.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=84" "ANTAGONIST" "Tclin" "Homo sapiens" +"cyamemazine" 746 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=84" "ANTAGONIST" "Tclin" "Homo sapiens" +"cyclizine" 749 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.235077015 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cyclizine" 749 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.193820026 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cyclizine" 749 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.623423043 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cyclizine" 749 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.271646218 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cyclizine" 749 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.993106292 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cyclizine" 749 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.35261703 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL648" "ANTAGONIST" "Tclin" "Homo sapiens" +"cyclizine" 749 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.787812396 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cyclizine" 749 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.385102784 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cyclizine" 749 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.798602876 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cyclizine" 749 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.924453039 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cyclizine" 749 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.341988603 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cyclizine" 749 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.217527376 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cyclizine" 749 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.206384206 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cyclizine" 749 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.224025669 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cyclizine" 749 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 5.860435734 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"cyclizine" 749 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"cyclobenzaprine" 751 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 8.22184875 "Ki" "PDSP" "Tclin" "Homo sapiens" +"cyclobenzaprine" 751 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.2441 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"cyclobenzaprine" 751 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.5409 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL669" "ANTAGONIST" "Tclin" "Homo sapiens" +"cyclobenzaprine" 751 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 5.5086 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"cyclobenzaprine" 751 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.95 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cyclobenzaprine" 751 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.8288 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cyclobenzaprine" 751 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 6.821 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cyclobenzaprine" 751 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.8386 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"cyclobenzaprine" 751 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.8125 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cyclobenzaprine" 751 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.4437 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cyclobenzaprine" 751 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.9666 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cyclobenzaprine" 751 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 4.7282 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"cyclobenzaprine" 751 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.22184875 "Ki" "PDSP" "Tclin" "Homo sapiens" +"cyclobenzaprine" 751 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 6.52 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL669" "Tclin" "Homo sapiens" +"cycloguanil" 754 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "P13922" "DRTS_PLAFK" 8.96 "Ki" "Inhibition constant against Plasmodium falciparum dihydrofolate reductase" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL747" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL747" "INHIBITOR" "Plasmodium falciparum" +"cycloguanil" 754 "Dihydrofolate reductase" "Enzyme" "P16184" "DYR_PNECA" 7.63 "Ki" "Binding affinity was reported with purified recombinant Pneumocystis carinii Dihydrofolate reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL747" "Pneumocystis carinii" +"cycloguanil" 754 "Dihydrofolate reductase" "Enzyme" "P00381" "folA" "DYR_LACCA" 4.76 "Ki" "Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL747" "Lactobacillus casei" +"cycloguanil" 754 "Dihydrofolate reductase" "Enzyme" "P00374" "DHFR" "DYR_HUMAN" 7.25 "Ki" "Binding affinity to human recombinant DHFR expressed in Escherichia coli BL21(DE3) by competitive binding assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL747" "Tclin" "Homo sapiens" +"cycloguanil" 754 "Dihydrofolate reductase" "Enzyme" "P00378" "DHFR" "DYR_CHICK" 6.95 "Ki" "Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL747" "Gallus gallus" +"cycloguanil" 754 "Dihydrofolate reductase" "Enzyme" "Q920D2" "Dhfr" "DYR_RAT" 6.96 "IC50" "Inhibitory activity against dihydrofolate reductase in rat liver." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL747" "Rattus norvegicus" +"cyclopentolate" 757 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" "Mechanism of Action; CHEMBL245; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200473" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200473" "ANTAGONIST" "Tclin" "Homo sapiens" +"cyclophosphamide" 758 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.68 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cyclophosphamide" 758 "DNA" "DNA" "Mechanism of Action" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL88" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL88" "OTHER" +"cycloserine" 759 "Glutamate receptor ionotropic, NMDA 1" "Ion channel" "P35439" "Grin1" "NMDZ1_RAT" 5.13 "IC50" "In vitro inhibitory activity to inhibit [3H]glycine binding to NMDA receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL771" "Rattus norvegicus" +"cycloserine" 759 "Glutamate receptor ionotropic, NMDA 2C" "Ion channel" "Q00961" "Grin2c" "NMDE3_RAT" 4.74 "EC50" "Compound was evaluated for in vitro inhibition of [3H]TCP at NMDA receptor." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL771" "Rattus norvegicus" +"cycloserine" 759 "Alanine racemase" "Enzyme" "P9WQA8" "alr" "ALR_MYCTO" "WOMBAT-PK" "Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)" +"cycloserine" 759 "Glutamate NMDA receptor" "Ion channel" "P35439|Q00959|Q00960|Q00961|Q62645|Q8VHN2|Q9R1M7" "Grin1|Grin2a|Grin2b|Grin2c|Grin2d|Grin3a|Grin3b" "NMD3A_RAT|NMD3B_RAT|NMDE1_RAT|NMDE2_RAT|NMDE3_RAT|NMDE4_RAT|NMDZ1_RAT" 5.64 "IC50" "In vitro inhibition of [3H]glycine at NMDA receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL771" "Rattus norvegicus" +"cycloserine" 759 "D-alanine--D-alanine ligase" "Enzyme" "P9WP31" "ddl" "DDL_MYCTU" "Mechanism of Action; CHEMBL2030; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL771" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL771" "INHIBITOR" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"cycloserine" 759 "Alanine racemase" "Enzyme" "P9WQA9" "alr" "ALR_MYCTU" "Mechanism of Action; CHEMBL2031; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL771" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL771" "INHIBITOR" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"cycloserine" 759 "Glutamate receptor ionotropic, NMDA 2D" "Ion channel" "O15399" "GRIN2D" "NMDE4_HUMAN" 5.64 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cycloserine" 759 "Glutamate receptor ionotropic, NMDA 3B" "Ion channel" "O60391" "GRIN3B" "NMD3B_HUMAN" 5.64 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cycloserine" 759 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 4.31 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cycloserine" 759 "Glutamate receptor ionotropic, NMDA 1" "Ion channel" "Q05586" "GRIN1" "NMDZ1_HUMAN" 5.26 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cycloserine" 759 "Glutamate receptor ionotropic, NMDA 2A" "Ion channel" "Q12879" "GRIN2A" "NMDE1_HUMAN" 5.64 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cycloserine" 759 "Glutamate receptor ionotropic, NMDA 2B" "Ion channel" "Q13224" "GRIN2B" "NMDE2_HUMAN" 5.64 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cycloserine" 759 "Glutamate receptor ionotropic, NMDA 2C" "Ion channel" "Q14957" "GRIN2C" "NMDE3_HUMAN" 5.34 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cycloserine" 759 "Glutamate receptor ionotropic, NMDA 3A" "Ion channel" "Q8TCU5" "GRIN3A" "NMD3A_HUMAN" 5.64 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ciclosporin" 760 "Peptidyl-prolyl cis-trans isomerase A" "Enzyme" "P62937" "PPIA" "PPIA_HUMAN" 8.0458 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL160" "MODULATOR" "Tclin" "Homo sapiens" +"ciclosporin" 760 "Dihydroorotate dehydrogenase (quinone), mitochondrial" "Enzyme" "Q02127" "DHODH" "PYRD_HUMAN" 6.699 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ciclosporin" 760 "Peptidyl-prolyl cis-trans isomerase FKBP1A" "Enzyme" "P62942" "FKBP1A" "FKB1A_HUMAN" 7.7959 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ciclosporin" 760 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.860120914 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"ciclosporin" 760 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 6.301 "EC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"ciclosporin" 760 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.3098 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ciclosporin" 760 "Sodium/bile acid cotransporter" "Transporter" "Q14973" "SLC10A1" "NTCP_HUMAN" 6 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1024" "INHIBITOR" "Tchem" "Homo sapiens" +"ciclosporin" 760 "Solute carrier organic anion transporter family member 1B3" "Transporter" "Q9NPD5" "SLCO1B3" "SO1B3_HUMAN" 6.1 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1024" "INHIBITOR" "Tchem" "Homo sapiens" +"ciclosporin" 760 "fMet-Leu-Phe receptor" "GPCR" "P21462" "FPR1" "FPR1_HUMAN" 6.3 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1024" "ANTAGONIST" "Tchem" "Homo sapiens" +"ciclosporin" 760 "Canalicular multispecific organic anion transporter 1" "Transporter" "Q92887" "ABCC2" "MRP2_HUMAN" 4.87 "IC50" "Inhibition of human MRP2 expressed in dog MDCK2 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL160" "Tbio" "Homo sapiens" +"ciclosporin" 760 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" 5.57 "IC50" "Inhibition of MRP1 in human 2008 cells assessed as Calcein AM accumulation treated 30 mins before Calcein AM addition measured up to 90 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL160" "Tchem" "Homo sapiens" +"ciclosporin" 760 "Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform" "Enzyme" "Q08209" "PPP3CA" "PP2BA_HUMAN" 8.4 "Kd" "Binding affinity to protein phosphatase, calcineurin (CN) was determined" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL160" "Tchem" "Homo sapiens" +"ciclosporin" 760 "Peptidyl-prolyl cis-trans isomerase D" "Enzyme" "Q08752" "PPID" "PPID_HUMAN" 8.15 "Ki" "Inhibition of fluorescein labeled cyclosporin binding to Cyp40 by fluorescence polarization competition assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL160" "Tchem" "Homo sapiens" +"ciclosporin" 760 "Peptidyl-prolyl cis-trans isomerase B" "Enzyme" "P23284" "PPIB" "PPIB_HUMAN" 8.01 "Kd" "Binding affinity to human Cyclophilin B" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL160" "Tchem" "Homo sapiens" +"ciclosporin" 760 "Peptidyl-prolyl cis-trans isomerase FKBP1B" "Enzyme" "P68106" "FKBP1B" "FKB1B_HUMAN" 8.22 "Ki" "The compound was tested for inhibition of Peptidyl-propyl isomerase (PPIase)." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL160" "Tchem" "Homo sapiens" +"ciclosporin" 760 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" 6.34 "IC50" "In vitro inhibitory activity against HIV-1 RT in CEM4 cell line" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL160" "Human immunodeficiency virus 1" +"ciclosporin" 760 "Peptidyl-prolyl cis-trans isomerase FKBP4" "Enzyme" "Q02790" "FKBP4" "FKBP4_HUMAN" 7.8 "IC50" "50% inhibitory concentration of competitive binding against hCyp-18 PPIase activity using uncoupled assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL160" "Tchem" "Homo sapiens" +"ciclosporin" 760 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" 4.2 "IC50" "Inhibition of ABCG2 in human mitoxantrone-resistant MCF7 cells by Hoechst 33342 assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL160" "Tchem" "Homo sapiens" +"ciclosporin" 760 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 6.30000019073486 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL160" "Tchem" "Homo sapiens" +"ciclosporin" 760 "Bile salt export pump" "Unclassified" "O70127" "Abcb11" "ABCBB_RAT" 6.22 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL160" "Rattus norvegicus" +"ciclosporin" 760 "Solute carrier organic anion transporter family member 1B1" "Transporter" "Q9Y6L6" "SLCO1B1" "SO1B1_HUMAN" 7.29 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1024" "INHIBITOR" "Tchem" "Homo sapiens" +"cyclothiazide" 761 "Glutamate receptor 2" "Ion channel" "P42262" "GRIA2" "GRIA2_HUMAN" 5.65 "EC50" "Activity at human recombinant GluA2 receptor flip isoform expressed in HEK293 cells assessed as effect on glutamate-induced calcium flux by Fluo-4/AM staining-based fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL61593" "Tclin" "Homo sapiens" +"cyclothiazide" 761 "Glutamate receptor ionotropic, AMPA" "Ion channel" "P19490|P19491|P19492|P19493" "Gria1|Gria2|Gria3|Gria4" "GRIA1_RAT|GRIA2_RAT|GRIA3_RAT|GRIA4_RAT" 5.21 "IC50" "Inhibition of binding to AMPA receptor from rat cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL61593" "Rattus norvegicus" +"cyclothiazide" 761 "Glutamate receptor 1" "Ion channel" "P42261" "GRIA1" "GRIA1_HUMAN" 5.7 "EC50" "Activity at recombinant GluA1 receptor flip isoform expressed in Xenopus oocytes co-expressing gamma2-TARP assessed as effect on 10 uM glutamate-induced current by voltage-clamp electrophysiological assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL61593" "Tclin" "Homo sapiens" +"cyclothiazide" 761 "Solute carrier family 12 member 3" "Transporter" "P55017" "SLC12A3" "S12A3_HUMAN" "Mechanism of Action; CHEMBL1876; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL61593" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL61593" "INHIBITOR" "Tclin" "Homo sapiens" +"cyclothiazide" 761 "Glutamate receptor 3" "Ion channel" "P42263" "GRIA3" "GRIA3_HUMAN" 4.86 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4167" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"cyclothiazide" 761 "Glutamate receptor 4" "Ion channel" "P48058" "GRIA4" "GRIA4_HUMAN" 5.41 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4167" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"cyclovalone" 762 "Integrase" "Enzyme" "Q7ZJM1" "pol" "Q7ZJM1_9HIV1" 4 "IC50" "Inhibitory activity against HIV-1 Integrase (HIV-1-IN)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17205" "Human immunodeficiency virus 1" +"cycrimine" 763 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200828" "ANTAGONIST" "Tclin" "Homo sapiens" +"cyproheptadine" 765 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 10.2218 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL516" "ANTAGONIST" "Tclin" "Homo sapiens" +"cyproheptadine" 765 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 5.88605642318726 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"cyproheptadine" 765 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.974694135 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cyproheptadine" 765 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.854868883 "Ki" "DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cyproheptadine" 765 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.769551079 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cyproheptadine" 765 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.709965389 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cyproheptadine" 765 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.659555885 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cyproheptadine" 765 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 8.559090918 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cyproheptadine" 765 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.732828272 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cyproheptadine" 765 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.356547324 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"cyproheptadine" 765 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.898596649 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"cyproheptadine" 765 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2a|Htr2b|Htr2c" "5HT2A_RAT|5HT2B_RAT|5HT2C_RAT" 8.51 "IC50" "Binding affinity at serotonin 5-hydroxytryptamine 2 receptor by [3H]ketanserin displacement." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL516" "Rattus norvegicus" +"cyproheptadine" 765 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd2|Drd3|Drd4|Drd5" "DRD1_RAT|DRD2_RAT|DRD3_RAT|DRD4_RAT|DRD5_RAT" 7.2 "Ki" "Displacement of [3H]- spiperone radioligand binding at the dopamine binding site of rat caudate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL516" "Rattus norvegicus" +"cyproheptadine" 765 "Sodium-dependent noradrenaline transporter" "Transporter" "O55192" "Slc6a2" "SC6A2_MOUSE" 6.54 "Ki" "Binding affinity to Norepinephrine transporter using [3H]-nisoxatine as radioligand in stably transfected NIH3T3 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL516" "Mus musculus" +"cyproheptadine" 765 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 6.85 "IC50" "Binding affinity at dopamine D2 receptor by [3H]spiperone displacement." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL516" "Rattus norvegicus" +"cyproheptadine" 765 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 9 "Kd" "Potency against histamine H1 receptor on guinea pig ileum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL516" "Cavia porcellus" +"cyproheptadine" 765 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.54 "Ki" "Binding affinity towards Norepinephrine transporter using [3H]nisoxitine as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL516" "Tclin" "Homo sapiens" +"cyproheptadine" 765 "5-hydroxytryptamine receptor 2C" "GPCR" "P34968" "Htr2c" "5HT2C_MOUSE" 7.96 "Ki" "Binding affinity to 5-hydroxytryptamine 2C receptor using [3H]Mesulergine as radioligand in stably transfected NIH3T3 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL516" "Mus musculus" +"cyproheptadine" 765 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 7.3 "Ki" "Binding affinity towards 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL516" "Rattus norvegicus" +"cyproheptadine" 765 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm2|Chrm3|Chrm4|Chrm5" "ACM1_RAT|ACM2_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT" 8.4 "Ki" "Displacement of [3H]- QNB binding at the muscarinic-cholinergic binding site of rat brain S1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL516" "Rattus norvegicus" +"cyproheptadine" 765 "D(2) dopamine receptor" "GPCR" "P61168" "Drd2" "DRD2_MOUSE" 6.95 "Ki" "Binding affinity to Dopamine receptor D2 using [3H]spiperone as radioligand in stably transfected NIH3T3 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL516" "Mus musculus" +"cyproheptadine" 765 "Sodium-dependent serotonin transporter" "Transporter" "Q60857" "Slc6a4" "SC6A4_MOUSE" 5.39 "Ki" "Binding affinity to Serotonin transporter using [3H]-paroxetine as radioligand in stably transfected NIH3T3 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL516" "Mus musculus" +"cyproheptadine" 765 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 6 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL516" "Tclin|Tclin|Tclin" "Homo sapiens" +"cyproheptadine" 765 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 8.8 "Ki" "Binding affinity against 5-hydroxytryptamine 2A receptor from rat forebrain using [3H]ketanserin as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL516" "Rattus norvegicus" +"cyproheptadine" 765 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.39 "Ki" "Binding affinity towards Serotonin transporter using [3H]paroxetine as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL516" "Tclin" "Homo sapiens" +"cyproheptadine" 765 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.6517 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cyproheptadine" 765 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.8125 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cyproheptadine" 765 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.4192 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cyproheptadine" 765 "Calmodulin" "Cytosolic other" "P0DP23|P0DP24|P0DP25" "CALM1|CALM2|CALM3" "CALM1_HUMAN|CALM2_HUMAN|CALM3_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"cyproheptadine" 765 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.6 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cyproheptadine" 765 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 8 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cyproheptadine" 765 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 8 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cyproheptadine" 765 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 8 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cyproheptadine" 765 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 8.1851 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"cyproheptadine" 765 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.0969 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cyproheptadine" 765 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.4 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cyproheptadine" 765 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.2291 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cyproheptadine" 765 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"cyproheptadine" 765 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.9 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cyproheptadine" 765 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 6.9 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cyproheptadine" 765 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.8 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"cyproheptadine" 765 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.9508 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cyproheptadine" 765 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.9318 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cyproheptadine" 765 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.91 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL516" "Rattus norvegicus" +"cyproheptadine" 765 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 6.62 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL516" "Rattus norvegicus" +"cyproheptadine" 765 "Histone-lysine N-methyltransferase SETD7" "Unclassified" "Q8WTS6" "SETD7" "SETD7_HUMAN" 4.7 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL516" "Homo sapiens" +"cyproheptadine" 765 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 6.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=277" "ANTAGONIST" "Rattus norvegicus" +"cyproterone acetate" 766 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 6.052566278 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cyproterone acetate" 766 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 8.315154638 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"cyproterone acetate" 766 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 9.678 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cyproterone acetate" 766 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 7.432 "IC50" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2865" "ANTAGONIST" "Tclin" "Homo sapiens" +"cyproterone acetate" 766 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 7.796 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"cyproterone acetate" 766 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 4.74 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL139835" "Rattus norvegicus" +"cyproterone acetate" 766 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 8.3 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL139835" "Rattus norvegicus" +"mercaptamine" 768 "cystine" "Unnatural amino acid" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/002465/WC500151313.pdf" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/002465/WC500151313.pdf" "OTHER" +"cysteine" 769 "Cystine/glutamate transporter" "Transporter" "Q9UPY5" "SLC7A11" "XCT_HUMAN" 4.23000001907349 "Ki" "Competitive inhibition of [3H]L-glutamate uptake at amino acid transport system xc- in human SNB19 cells by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL863" "Tbio" "Homo sapiens" +"cytarabine" 770 "Enoyl-[acyl-carrier-protein] reductase [NADH]" "Enzyme" "Q5NGQ3" "fabI" "Q5NGQ3_FRATT" 4.23 "IC50" "Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed as oxidation of NADH to NAD+ by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL803" "Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)" +"cytarabine" 770 "DNA polymerase (alpha/delta/epsilon)" "Enzyme" "P09884|P28340|Q07864" "POLA1|POLD1|POLE" "DPOD1_HUMAN|DPOE1_HUMAN|DPOLA_HUMAN" "Mechanism of Action; CHEMBL2363042; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL803" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL803" "INHIBITOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"cytarabine" 770 "Prostatic acid phosphatase" "Enzyme" "P15309" "ACPP" "PPAP_HUMAN" 7 "GI50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"cytarabine" 770 "DNA polymerase beta" "Enzyme" "P06746" "POLB" "DPOLB_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"dacarbazine" 773 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 6.254925208 "IC50" "DRUGMATRIX: Protease, Matrix Metalloprotease-9 (MMP-9) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"dacarbazine" 773 "DNA polymerase alpha subunit B" "Unclassified" "Q14181" "POLA2" "DPOA2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"dacarbazine" 773 "DNA" "DNA" "Mechanism of Action" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL476" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL476" "OTHER" +"dactinomycin" 774 "DNA" "DNA" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/050682s029s030lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/050682s029s030lbl.pdf" "OTHER" +"dactinomycin" 774 "Growth factor receptor-bound protein 2" "Cytosolic other" "P62993" "GRB2" "GRB2_HUMAN" 5.3 "IC50" "Inhibition of GST-Grb2 Tyrosine kinase SH2 domain binding to [3H]labeled-phosphopeptide (Ac-SpYVNK-NH-C(O)-CH2CH2H3)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1554" "Tchem" "Homo sapiens" +"dactinomycin" 774 "Growth factor receptor-bound protein 2" "Cytosolic other" "Q60631" "Grb2" "GRB2_MOUSE" 5.3 "IC50" "In vitro binding assay of Shc-derived phosphopeptide to Growth factor receptor bound protein 2 SH2 in B104-1-1 cells was determined" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1554" "Mus musculus" +"dactinomycin" 774 "Discoidin domain-containing receptor 2" "Kinase" "Q16832" "DDR2" "DDR2_HUMAN" 5.05000019073486 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1554" "Tchem" "Homo sapiens" +"dabigatran etexilate" 776 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 8.35 "Ki" "Binding affinity to human thrombin" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL48361" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL48361" "INHIBITOR" "Tclin" "Homo sapiens" +"dabigatran etexilate" 776 "Trypsin" "Enzyme" "P07477|P07478|P35030" "PRSS1|PRSS2|PRSS3" "TRY1_HUMAN|TRY2_HUMAN|TRY3_HUMAN" 7.30000019073486 "Ki" "Inhibitory constant (Ki) was determined against human trypsin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL48361" "Tchem|Tchem|Tclin" "Homo sapiens" +"dabigatran etexilate" 776 "Plasminogen" "Enzyme" "P00747" "PLG" "PLMN_HUMAN" 5.76999998092651 "Ki" "Inhibitory constant (Ki) was determined against human plasmin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL48361" "Tclin" "Homo sapiens" +"dabigatran etexilate" 776 "Coagulation factor X" "Enzyme" "P00742" "F10" "FA10_HUMAN" 5.42000007629395 "Ki" "Inhibitory constant (Ki) was determined against human Coagulation factor Xa (fXa)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL48361" "Tclin" "Homo sapiens" +"dabigatran etexilate" 776 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.32999992370606 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL48361" "Tchem" "Homo sapiens" +"dabigatran etexilate" 776 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.09000015258789 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL48361" "Tchem" "Homo sapiens" +"dabigatran etexilate" 776 "Ribosyldihydronicotinamide dehydrogenase [quinone]" "Enzyme" "P16083" "NQO2" "NQO2_HUMAN" 4.96000003814697 "IC50" "Displacement of (S)-N4-(4-(3-(2-((4-carbamimidoylphenylamino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanamido)butyl)-N1-(15-oxo-19-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-4,7,10-trioxa-14-azanonadecyl)-2-(4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzamido)succinamide from human recombinant NQO2 after 1 hr by densitometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL48361" "Tchem" "Homo sapiens" +"dabigatran etexilate" 776 "Vitamin K-dependent protein C" "Enzyme" "P04070" "PROC" "PROC_HUMAN" 4.67999982833862 "Ki" "Inhibitory constant (Ki) was determined against human Activated protein C" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL48361" "Tchem" "Homo sapiens" +"dabigatran etexilate" 776 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 4.59999990463257 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL48361" "Tchem" "Homo sapiens" +"dabigatran etexilate" 776 "Tissue-type plasminogen activator" "Enzyme" "P00750" "PLAT" "TPA_HUMAN" 4.34000015258789 "Ki" "Inhibitory constant (Ki) was determined against human Tissue plasminogen activator (tissue plasminogen activator)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL48361" "Tclin" "Homo sapiens" +"dabigatran etexilate" 776 "Serine protease hepsin" "Enzyme" "P05981" "HPN" "HEPS_HUMAN" 6.07999992370606 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL48361" "Tchem" "Homo sapiens" +"danazol" 779 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1479" "AGONIST" "Tclin" "Homo sapiens" +"danazol" 779 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.242983765 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"danazol" 779 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 4.990336683 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"danazol" 779 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.162853656 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"danazol" 779 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.086557045 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"danazol" 779 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.247874693 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"danazol" 779 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.59722293 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"danazol" 779 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 4.975760694 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"danazol" 779 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.008773924 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"danazol" 779 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.424581209 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"danazol" 779 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 5.707522406 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"danazol" 779 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 4.893979181 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"danazol" 779 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 5.462055041 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"danazol" 779 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.264720552 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"danazol" 779 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.200039473 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"danazol" 779 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.207118255 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"danazol" 779 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 5.29387989 "Ki" "DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"danazol" 779 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 6.522878745 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"danazol" 779 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.052566278 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"danazol" 779 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 8.097453221 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"danazol" 779 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 7.468521083 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"danazol" 779 "Steryl-sulfatase" "Enzyme" "P08842" "STS" "STS_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"danazol" 779 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 8.2 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1479" "Tchem" "Homo sapiens" +"danazol" 779 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" "UNKNOWN" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1479" "AGONIST" "Tclin" "Homo sapiens" +"dantrolene" 780 "Ryanodine receptor 1" "Ion channel" "P21817" "RYR1" "RYR1_HUMAN" 6.757 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL928" "ANTAGONIST" "Tclin" "Homo sapiens" +"dantrolene" 780 "Ryanodine receptor 3" "Ion channel" "Q15413" "RYR3" "RYR3_HUMAN" "Mechanism of Action; CHEMBL2062; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL928" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL928" "ANTAGONIST" "Tclin" "Homo sapiens" +"dapiprazole" 781 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.929223537 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dapiprazole" 781 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.761953897 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dapiprazole" 781 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.172630727 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dapiprazole" 781 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.485452247 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dapiprazole" 781 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.279014256 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dapiprazole" 781 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.388276692 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7155" "ANTAGONIST" "Tclin" "Homo sapiens" +"dapiprazole" 781 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.522878745 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"dapiprazole" 781 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201044" "ANTAGONIST" "Tclin" "Homo sapiens" +"dapiprazole" 781 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"dapiprazole" 781 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.69 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201044" "Rattus norvegicus" +"dapiprazole" 781 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.02 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201044" "Rattus norvegicus" +"dapsone" 782 "Dihydropteroate synthase 1" "Enzyme" "P0C0X1" "folP1" "DHPS1_MYCLE" 5.9 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1043" "INHIBITOR" "Mycobacterium leprae (strain TN)" +"dapsone" 782 "Dihydrofolate reductase" "Enzyme" "P16184" "DYR_PNECA" 5.82 "IC50" "Inhibitory activity was determined against dihydrofolate reductase in Pneumocystis carinii. " "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1043" "Pneumocystis carinii" +"dapsone" 782 "Dihydropteroate synthetase, putative" "Unclassified" "Q4Z710" "Q4Z710_PLABA" 4.91 "IC50" "Inhibitory activity against dihydropteroic acid synthase (SYN) from Plasmodium berghei" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1043" "Plasmodium berghei (strain Anka)" +"dapsone" 782 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.74 "Ki" "Antagonist activity at recombinant human 5-HT6 receptor expressed in HEK293 cells assessed as 5-HT-induced intracellular cAMP production after 30 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1043" "Tchem" "Homo sapiens" +"dapsone" 782 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 4.57 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"dapsone" 782 "Glucose-6-phosphate 1-dehydrogenase" "Enzyme" "P11413" "G6PD" "G6PD_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"daptomycin" 783 "Outer membrane porin protein OmpD" "Transporter" "Q57P83" "ompD" "OMPD_SALCH" "WOMBAT-PK" "Salmonella choleraesuis (strain SC-B67)" +"darifenacin" 784 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.6 "Ki" "GRAC: human M2 antagonist" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1346" "ANTAGONIST" "Tclin" "Homo sapiens" +"darifenacin" 784 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 8.3 "Ki" "GRAC: human M1 antagonist" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1346" "Tclin" "Homo sapiens" +"darifenacin" 784 "Muscarinic acetylcholine receptor M3" "GPCR" "P08483" "Chrm3" "ACM3_RAT" 8.6 "Ki" "Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1346" "Rattus norvegicus" +"darifenacin" 784 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 9.52 "Kd" "GRAC: human M3 probe" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1346" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1346" "ANTAGONIST" "Tclin" "Homo sapiens" +"darifenacin" 784 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.1 "Ki" "GRAC: human M4 antagonist" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1346" "Tclin" "Homo sapiens" +"darifenacin" 784 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 8.64 "Ki" "Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M5" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1346" "Tclin" "Homo sapiens" +"darifenacin" 784 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 7.2 "Ki" "Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1346" "Rattus norvegicus" +"darifenacin" 784 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 7.21 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1346" "Tclin" "Homo sapiens" +"darifenacin" 784 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.5 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1346" "Tclin" "Homo sapiens" +"darifenacin" 784 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 4.6 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1346" "Tclin" "Homo sapiens" +"dasatinib" 785 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 9.6 "IC50" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=5678" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "INHIBITOR" "Tclin" "Homo sapiens" +"dasatinib" 785 "Breakpoint cluster region protein" "Kinase" "P11274" "BCR" "BCR_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"dasatinib" 785 "Dual specificity mitogen-activated protein kinase kinase 1" "Kinase" "Q02750" "MAP2K1" "MP2K1_HUMAN" 6 "Kd" "Binding constant for full-length MEK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tclin" "Homo sapiens" +"dasatinib" 785 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 5.49 "Kd" "Binding constant for FLT3(K663Q) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tclin" "Homo sapiens" +"dasatinib" 785 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 7.1 "Kd" "Binding constant for EGFR(G719S) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tclin" "Homo sapiens" +"dasatinib" 785 "Tubulin alpha-1A chain" "Structural" "P68370" "Tuba1a" "TBA1A_RAT" 7.26 "Kd" "Binding constant for ERBB4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Rattus norvegicus" +"dasatinib" 785 "Vascular endothelial growth factor receptor 1" "Kinase" "P17948" "FLT1" "VGFR1_HUMAN" 5.3 "Kd" "Binding constant for FLT1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tclin" "Homo sapiens" +"dasatinib" 785 "Serine/threonine-protein kinase mTOR" "Kinase" "P42345" "MTOR" "MTOR_HUMAN" 4.46 "IC50" "Inhibition of recombinant mTOR by radioactive phosphotransfer assay in presence of 10 uM ATP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tclin" "Homo sapiens" +"dasatinib" 785 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 5.54 "Kd" "Binding constant for VEGFR2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tclin" "Homo sapiens" +"dasatinib" 785 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 9.68 "Kd" "Binding constant for SRC kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "INHIBITOR" "Tclin" "Homo sapiens" +"dasatinib" 785 "Fibroblast growth factor receptor 3" "Kinase" "P22607" "FGFR3" "FGFR3_HUMAN" 5.41 "Kd" "Binding constant for FGFR3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tclin" "Homo sapiens" +"dasatinib" 785 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P00523" "SRC" "SRC_CHICK" 7.96 "Kd" "Activity of wild type chicken c N-terminal His-tagged Src expressed in Escherichia coli BL21 (DE3)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Gallus gallus" +"dasatinib" 785 "Serine/threonine-protein kinase 35" "Kinase" "Q8TDR2" "STK35" "STK35_HUMAN" 6.11 "Kd" "Binding constant for STK35 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 9.33 "Kd" "Binding constant for PDGFRA kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tclin" "Homo sapiens" +"dasatinib" 785 "Casein kinase I isoform epsilon" "Kinase" "P49674" "CSNK1E" "KC1E_HUMAN" 5.82 "Kd" "Binding constant for full-length CSNK1E" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Receptor-interacting serine/threonine-protein kinase 2" "Kinase" "O43353" "RIPK2" "RIPK2_HUMAN" 7.51 "Kd" "Binding constant for RIPK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Myelin transcription factor 1" "Unclassified" "Q01538" "MYT1" "MYT1_HUMAN" 7.2 "IC50" "Binding affinity to human full-length His-tagged Myt1 kinase expressed in HEK293 cells by TR-FRET based binding assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Ephrin type-B receptor 4" "Kinase" "P54760" "EPHB4" "EPHB4_HUMAN" 9.47 "Kd" "Binding constant for EPHB4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 6 "Kd" "Binding constant for JAK2(Kin.Dom.2/JH1 - catalytic) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tclin" "Homo sapiens" +"dasatinib" 785 "Cyclin-G-associated kinase" "Kinase" "O14976" "GAK" "GAK_HUMAN" 8.59 "Kd" "Binding constant for GAK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Serine/threonine-protein kinase SBK1" "Kinase" "Q52WX2" "SBK1" "SBK1_HUMAN" 5.92 "Kd" "Binding constant for SBK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tdark" "Homo sapiens" +"dasatinib" 785 "Aurora kinase A" "Kinase" "O14965" "AURKA" "AURKA_HUMAN" 5.03 "Kd" "Binding constant for AURKA kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Dual specificity mitogen-activated protein kinase kinase 5" "Kinase" "Q13163" "MAP2K5" "MP2K5_HUMAN" 8.48 "Kd" "Binding constant for MEK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Mitogen-activated protein kinase kinase kinase MLT" "Kinase" "Q9NYL2" "ZAK" "MLTK_HUMAN" 7.35 "Kd" "Binding constant for ZAK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "MAP kinase p38" "Kinase" "O15264|P53778|Q15759|Q16539" "MAPK11|MAPK12|MAPK13|MAPK14" "MK11_HUMAN|MK12_HUMAN|MK13_HUMAN|MK14_HUMAN" 7 "IC50" "Inhibition of p38 kinase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem|Tchem|Tchem|Tchem" "Homo sapiens" +"dasatinib" 785 "Tyrosine-protein kinase SYK" "Kinase" "P43405" "SYK" "KSYK_HUMAN" 5.54 "Kd" "Binding constant for SYK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tclin" "Homo sapiens" +"dasatinib" 785 "Wee1-like protein kinase" "Kinase" "P30291" "WEE1" "WEE1_HUMAN" 5.15 "Kd" "Binding constant for WEE1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "RAF proto-oncogene serine/threonine-protein kinase" "Kinase" "P04049" "RAF1" "RAF1_HUMAN" 6.24 "Kd" "Binding constant for RAF1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tclin" "Homo sapiens" +"dasatinib" 785 "Tyrosine-protein kinase BTK" "Kinase" "Q06187" "BTK" "BTK_HUMAN" 8.85 "Kd" "Binding constant for full-length BTK" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tclin" "Homo sapiens" +"dasatinib" 785 "Mitogen-activated protein kinase kinase kinase 13" "Kinase" "O43283" "MAP3K13" "M3K13_HUMAN" 5.28 "Kd" "Binding constant for LZK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tbio" "Homo sapiens" +"dasatinib" 785 "Ephrin type-A receptor 1" "Kinase" "P21709" "EPHA1" "EPHA1_HUMAN" 8.39 "Kd" "Binding constant for EPHA1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Mitogen-activated protein kinase kinase kinase kinase 1" "Kinase" "Q92918" "MAP4K1" "M4K1_HUMAN" 6.01 "Kd" "Binding constant for MAP4K1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Serine/threonine-protein kinase Nek11" "Kinase" "Q8NG66" "NEK11" "NEK11_HUMAN" 6.33 "Kd" "Binding constant for NEK11 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tbio" "Homo sapiens" +"dasatinib" 785 "Serine/threonine-protein kinase B-raf" "Kinase" "P15056" "BRAF" "BRAF_HUMAN" 6.3 "Kd" "Binding constant for BRAF kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tclin" "Homo sapiens" +"dasatinib" 785 "Tyrosine-protein kinase Fgr" "Kinase" "P09769" "FGR" "FGR_HUMAN" 9.3 "Kd" "Binding constant for FGR kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "INHIBITOR" "Tchem" "Homo sapiens" +"dasatinib" 785 "Serine/threonine-protein kinase MRCK alpha" "Kinase" "Q5VT25" "CDC42BPA" "MRCKA_HUMAN" 5.7 "Kd" "Binding constant for MRCKA kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Mitogen-activated protein kinase kinase kinase 7" "Kinase" "O43318" "MAP3K7" "M3K7_HUMAN" 5.43 "Kd" "Binding constant for TAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Tyrosine-protein kinase Blk" "Kinase" "P16277" "Blk" "BLK_MOUSE" 8.1 "IC50" "Inhibition of mouse BLK" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Mus musculus" +"dasatinib" 785 "Tyrosine-protein kinase FRK" "Kinase" "P42685" "FRK" "FRK_HUMAN" 9.51 "Kd" "Binding constant for FRK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "INHIBITOR" "Tchem" "Homo sapiens" +"dasatinib" 785 "Ephrin type-A receptor 8" "Kinase" "P29322" "EPHA8" "EPHA8_HUMAN" 9.62 "Kd" "Binding constant for EPHA8 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Ephrin type-A receptor 2" "Kinase" "P29317" "EPHA2" "EPHA2_HUMAN" 9.07 "Kd" "Binding constant for EPHA2 kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "INHIBITOR" "Tclin" "Homo sapiens" +"dasatinib" 785 "Ephrin type-A receptor 3" "Kinase" "P29320" "EPHA3" "EPHA3_HUMAN" 10.03 "Kd" "Binding constant for EPHA3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 5.92 "Kd" "Binding constant for LOK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 6.19 "Kd" "Binding constant for JAK3(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tclin" "Homo sapiens" +"dasatinib" 785 "Tyrosine-protein kinase Yes" "Kinase" "P07947" "YES1" "YES_HUMAN" 9.52 "Kd" "Binding constant for YES kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "INHIBITOR" "Tclin" "Homo sapiens" +"dasatinib" 785 "Tyrosine-protein kinase CSK" "Kinase" "P41240" "CSK" "CSK_HUMAN" 9 "Kd" "Binding constant for full-length CSK" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Serine/threonine-protein kinase TNNI3K" "Kinase" "Q59H18" "TNNI3K" "TNI3K_HUMAN" 7.96 "Kd" "Binding constant for full-length TNNI3K" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.85 "Kd" "Binding constant for ERBB2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tclin" "Homo sapiens" +"dasatinib" 785 "Tyrosine-protein kinase HCK" "Kinase" "P08631" "HCK" "HCK_HUMAN" 9.46 "Kd" "Binding constant for HCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "INHIBITOR" "Tclin" "Homo sapiens" +"dasatinib" 785 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 9.2 "Kd" "Binding constant for PDGFRB kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "INHIBITOR" "Tclin" "Homo sapiens" +"dasatinib" 785 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 5.43 "Kd" "Binding constant for FGFR1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tclin" "Homo sapiens" +"dasatinib" 785 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" 5.85 "Kd" "Binding constant for FGFR2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tclin" "Homo sapiens" +"dasatinib" 785 "Chaperone activity of bc1 complex-like, mitochondrial" "Kinase" "Q8NI60" "COQ8A" "COQ8A_HUMAN" 6.72 "Kd" "Binding constant for ADCK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tbio" "Homo sapiens" +"dasatinib" 785 "Serine/threonine-protein kinase 25" "Kinase" "O00506" "STK25" "STK25_HUMAN" 5.47 "Kd" "Binding constant for YSK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tbio" "Homo sapiens" +"dasatinib" 785 "Mitogen-activated protein kinase kinase kinase 4" "Kinase" "Q9Y6R4" "MAP3K4" "M3K4_HUMAN" 6.51 "Kd" "Binding constant for MAP3K4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tbio" "Homo sapiens" +"dasatinib" 785 "Mitogen-activated protein kinase kinase kinase kinase 5" "Kinase" "Q9Y4K4" "MAP4K5" "M4K5_HUMAN" 7.35 "Kd" "Binding constant for MAP4K5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Misshapen-like kinase 1" "Kinase" "Q8N4C8" "MINK1" "MINK1_HUMAN" 6.37 "Kd" "Binding constant for MINK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Serine/threonine-protein kinase 36" "Kinase" "Q9NRP7" "STK36" "STK36_HUMAN" 6.68 "Kd" "Binding constant for STK36 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tbio" "Homo sapiens" +"dasatinib" 785 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 9.24 "Kd" "Binding constant for KIT(L576P) kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "INHIBITOR" "Tclin" "Homo sapiens" +"dasatinib" 785 "Receptor tyrosine-protein kinase erbB-4" "Kinase" "Q15303" "ERBB4" "ERBB4_HUMAN" 7.26 "Kd" "Binding constant for ERBB4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tclin" "Homo sapiens" +"dasatinib" 785 "Ephrin type-A receptor 6" "Kinase" "Q9UF33" "EPHA6" "EPHA6_HUMAN" 5.68 "Kd" "Binding constant for EPHA6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "TRAF2 and NCK-interacting protein kinase" "Kinase" "Q9UKE5" "TNIK" "TNIK_HUMAN" 5.7 "Kd" "Binding constant for TNIK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Proto-oncogene tyrosine-protein kinase LCK" "Kinase" "P06240" "Lck" "LCK_MOUSE" 10.19 "Ki" "Inhibition of murine Lck in presence of ATP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Mus musculus" +"dasatinib" 785 "Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase" "Kinase" "Q99640" "PKMYT1" "PMYT1_HUMAN" 6.89 "Kd" "Binding constant for PKMYT1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Aurora kinase B" "Kinase" "Q96GD4" "AURKB" "AURKB_HUMAN" 5.19 "IC50" "Inhibition of AurB" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "STE20-like serine/threonine-protein kinase" "Kinase" "Q9H2G2" "SLK" "SLK_HUMAN" 6.14 "Kd" "Binding constant for SLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Bone morphogenetic protein receptor type-1B" "Kinase" "O00238" "BMPR1B" "BMR1B_HUMAN" 7.28 "Kd" "Binding constant for BMPR1B kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tbio" "Homo sapiens" +"dasatinib" 785 "Non-receptor tyrosine-protein kinase TYK2" "Kinase" "P29597" "TYK2" "TYK2_HUMAN" 6.96 "Kd" "Binding constant for TYK2(JH2domain-pseudokinase) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tclin" "Homo sapiens" +"dasatinib" 785 "Serine/threonine-protein kinase 4" "Kinase" "Q13043" "STK4" "STK4_HUMAN" 5.42 "Kd" "Binding constant for MST1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Protein-tyrosine kinase 6" "Kinase" "Q13882" "PTK6" "PTK6_HUMAN" 8.11 "Kd" "Binding constant for PTK6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Serine/threonine-protein kinase TAO2" "Kinase" "Q9UL54" "TAOK2" "TAOK2_HUMAN" 5.27 "Kd" "Binding constant for TAOK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tbio" "Homo sapiens" +"dasatinib" 785 "Serine/threonine-protein kinase Nek2" "Kinase" "P51955" "NEK2" "NEK2_HUMAN" 5.19 "Kd" "Binding constant for NEK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 9.24 "Kd" "Binding constant for LYN kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "INHIBITOR" "Tclin" "Homo sapiens" +"dasatinib" 785 "Cytoplasmic tyrosine-protein kinase BMX" "Kinase" "P51813" "BMX" "BMX_HUMAN" 8.85 "Kd" "Binding constant for full-length BMX" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Ephrin type-A receptor 5" "Kinase" "P54756" "EPHA5" "EPHA5_HUMAN" 9.62 "Kd" "Binding constant for EPHA5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "LIM domain kinase 1" "Kinase" "P53667" "LIMK1" "LIMK1_HUMAN" 6.24 "Kd" "Binding constant for full-length LIMK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Ephrin type-A receptor 4" "Kinase" "P54764" "EPHA4" "EPHA4_HUMAN" 8.92 "Kd" "Binding constant for EPHA4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Ephrin type-B receptor 1" "Kinase" "P54762" "EPHB1" "EPHB1_HUMAN" 9.35 "Kd" "Binding constant for EPHB1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform" "Kinase" "P42336" "PIK3CA" "PK3CA_HUMAN" 4.42 "IC50" "Inhibition of recombinant PI3Kalpha by radioactive phosphotransfer assay in presence of 10 uM ATP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tclin" "Homo sapiens" +"dasatinib" 785 "Activated CDC42 kinase 1" "Kinase" "Q07912" "TNK2" "ACK1_HUMAN" 8.25 "Kd" "Binding constant for TNK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tclin" "Homo sapiens" +"dasatinib" 785 "Mitogen-activated protein kinase kinase kinase kinase 3" "Kinase" "Q8IVH8" "MAP4K3" "M4K3_HUMAN" 6.19 "Kd" "Binding constant for MAP4K3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Dual specificity testis-specific protein kinase 1" "Kinase" "Q15569" "TESK1" "TESK1_HUMAN" 7.48 "Kd" "Binding constant for TESK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tbio" "Homo sapiens" +"dasatinib" 785 "Activin receptor type-1" "Kinase" "Q04771" "ACVR1" "ACVR1_HUMAN" 6.21 "Kd" "Binding constant for ACVR1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Serine/threonine-protein kinase MRCK gamma" "Kinase" "Q6DT37" "CDC42BPG" "MRCKG_HUMAN" 5.92 "Kd" "Binding constant for DMPK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tbio" "Homo sapiens" +"dasatinib" 785 "Serine/threonine-protein kinase MRCK beta" "Kinase" "Q9Y5S2" "CDC42BPB" "MRCKB_HUMAN" 5.68 "Kd" "Binding constant for MRCKB kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tbio" "Homo sapiens" +"dasatinib" 785 "Mitogen-activated protein kinase kinase kinase 2" "Kinase" "Q9Y2U5" "MAP3K2" "M3K2_HUMAN" 6.85 "Kd" "Binding constant for MAP3K2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Serine/threonine-protein kinase ULK3" "Kinase" "Q6PHR2" "ULK3" "ULK3_HUMAN" 5.34 "Kd" "Binding constant for ULK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Abelson tyrosine-protein kinase 2" "Kinase" "P42684" "ABL2" "ABL2_HUMAN" 9.77 "Kd" "Binding constant for ABL2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Serine/threonine-protein kinase 26" "Kinase" "Q9P289" "STK26" "STK26_HUMAN" 5.72 "Kd" "Binding constant for full-length MST4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tbio" "Homo sapiens" +"dasatinib" 785 "Activin receptor type-2B" "Kinase" "Q13705" "ACVR2B" "AVR2B_HUMAN" 6.24 "Kd" "Binding constant for ACVR2B kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Tyrosine-protein kinase Blk" "Kinase" "P51451" "BLK" "BLK_HUMAN" 9.68 "Kd" "Binding constant for BLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "INHIBITOR" "Tchem" "Homo sapiens" +"dasatinib" 785 "Receptor tyrosine-protein kinase erbB-3" "Kinase" "P21860" "ERBB3" "ERBB3_HUMAN" 7.74 "Kd" "Binding constant for ERBB3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Calcium-dependent protein kinase 1" "Kinase" "P62344" "CPK1" "CDPK1_PLAF7" 6.19 "Kd" "Binding constant for PFCDPK1(P.falciparum) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Plasmodium falciparum" +"dasatinib" 785 "Ephrin type-B receptor 6" "Kinase" "O15197" "EPHB6" "EPHB6_HUMAN" 10.41 "Kd" "Binding constant for EPHB6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform" "Kinase" "O00329" "PIK3CD" "PK3CD_HUMAN" 4.52 "IC50" "Inhibition of recombinant PI3Kdelta by radioactive phosphotransfer assay in presence of 10 uM ATP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tclin" "Homo sapiens" +"dasatinib" 785 "Serine/threonine-protein kinase SIK2" "Kinase" "Q9H0K1" "SIK2" "SIK2_HUMAN" 8.19 "Kd" "Binding constant for full-length SNF1LK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Serine/threonine-protein kinase TAO3" "Kinase" "Q9H2K8" "TAOK3" "TAOK3_HUMAN" 5.64 "Kd" "Binding constant for TAOK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tbio" "Homo sapiens" +"dasatinib" 785 "Tyrosine-protein kinase Srms" "Kinase" "Q9H3Y6" "SRMS" "SRMS_HUMAN" 7.89 "Kd" "Binding constant for SRMS kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "INHIBITOR" "Tchem" "Homo sapiens" +"dasatinib" 785 "Serine/threonine-protein kinase SIK3" "Kinase" "Q9Y2K2" "SIK3" "SIK3_HUMAN" 7.55 "Kd" "Binding constant for QSK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Dual specificity mitogen-activated protein kinase kinase; MEK1/2" "Kinase" "P36507|Q02750" "MAP2K1|MAP2K2" "MP2K1_HUMAN|MP2K2_HUMAN" 5.77 "IC50" "Inhibition of MEK" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tclin|Tclin" "Homo sapiens" +"dasatinib" 785 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 9.1 "Kd" "Binding constant for FYN kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "INHIBITOR" "Tclin" "Homo sapiens" +"dasatinib" 785 "Wee1-like protein kinase 2" "Kinase" "P0C1S8" "WEE2" "WEE2_HUMAN" 6.7 "Kd" "Binding constant for WEE2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tbio" "Homo sapiens" +"dasatinib" 785 "Macrophage colony-stimulating factor 1 receptor" "Kinase" "P07333" "CSF1R" "CSF1R_HUMAN" 9.24 "Kd" "Binding constant for CSF1R kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tclin" "Homo sapiens" +"dasatinib" 785 "Discoidin domain-containing receptor 2" "Kinase" "Q16832" "DDR2" "DDR2_HUMAN" 8.52 "Kd" "Binding affinity to wild type DDR2 (unknown origin) by FLiK assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Serine/threonine-protein kinase receptor R3" "Kinase" "P37023" "ACVRL1" "ACVL1_HUMAN" 6.34 "Kd" "Binding constant for ACVRL1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Activin receptor type-1B" "Kinase" "P36896" "ACVR1B" "ACV1B_HUMAN" 6.48 "Kd" "Binding constant for ACVR1B kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Bone morphogenetic protein receptor type-1A" "Kinase" "P36894" "BMPR1A" "BMR1A_HUMAN" 5.15 "Kd" "Binding constant for BMPR1A kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "TGF-beta receptor type-1" "Kinase" "P36897" "TGFBR1" "TGFR1_HUMAN" 6.64 "Kd" "Binding constant for TGFBR1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "TGF-beta receptor type-2" "Kinase" "P37173" "TGFBR2" "TGFR2_HUMAN" 5.54 "Kd" "Binding constant for TGFBR2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Eukaryotic translation initiation factor 2-alpha kinase 4" "Kinase" "Q9P2K8" "EIF2AK4" "E2AK4_HUMAN" 5.8 "Kd" "Binding constant for GCN2(Kin.Dom.2,S808G) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 6.41 "Kd" "Binding constant for RET(M918T) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tclin" "Homo sapiens" +"dasatinib" 785 "Myotonin-protein kinase" "Kinase" "Q09013" "DMPK" "DMPK_HUMAN" 5.89 "Kd" "Binding constant for DMPK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Epithelial discoidin domain-containing receptor 1" "Kinase" "Q08345" "DDR1" "DDR1_HUMAN" 9.16 "Kd" "Binding constant for DDR1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Mitogen-activated protein kinase kinase kinase kinase 4" "Kinase" "O95819" "MAP4K4" "M4K4_HUMAN" 5.51 "Kd" "Binding constant for MAP4K4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Activin receptor type-2A" "Kinase" "P27037" "ACVR2A" "AVR2A_HUMAN" 6.68 "Kd" "Binding constant for ACVR2A kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tbio" "Homo sapiens" +"dasatinib" 785 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 9.7 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "INHIBITOR" "Tclin" "Homo sapiens" +"dasatinib" 785 "Myosin light chain kinase 2, skeletal/cardiac muscle" "Kinase" "Q9H1R3" "MYLK2" "MYLK2_HUMAN" 5.46 "Kd" "Binding constant for MYLK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tbio" "Homo sapiens" +"dasatinib" 785 "Mitogen-activated protein kinase kinase kinase 19" "Kinase" "Q56UN5" "MAP3K19" "M3K19_HUMAN" 7.1 "Kd" "Binding constant for YSK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Ephrin type-B receptor 2" "Kinase" "P29323" "EPHB2" "EPHB2_HUMAN" 9.41 "Kd" "Binding constant for EPHB2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Mitogen-activated protein kinase 11" "Kinase" "Q15759" "MAPK11" "MK11_HUMAN" 6.39 "Kd" "Binding constant for full-length p38-beta" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Dual specificity mitogen-activated protein kinase kinase 2" "Kinase" "P36507" "MAP2K2" "MP2K2_HUMAN" 5.85 "Kd" "Binding constant for full-length MEK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tclin" "Homo sapiens" +"dasatinib" 785 "Tyrosine-protein kinase TXK" "Kinase" "P42681" "TXK" "TXK_HUMAN" 8.68 "Kd" "Binding constant for TXK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Serine/threonine-protein kinase VRK2" "Kinase" "Q86Y07" "VRK2" "VRK2_HUMAN" 5.49 "Kd" "Binding constant for VRK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tbio" "Homo sapiens" +"dasatinib" 785 "LIM domain kinase 2" "Kinase" "P53671" "LIMK2" "LIMK2_HUMAN" 7.07 "Kd" "Binding constant for full-length LIMK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Ephrin type-B receptor 3" "Kinase" "P54753" "EPHB3" "EPHB3_HUMAN" 8.16 "Kd" "Binding constant for EPHB3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Tyrosine-protein kinase Tec" "Kinase" "P42680" "TEC" "TEC_HUMAN" 7.89 "Kd" "Binding constant for TEC kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Mitogen-activated protein kinase kinase kinase 3" "Kinase" "Q99759" "MAP3K3" "M3K3_HUMAN" 6.55 "Kd" "Binding constant for MAP3K3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Serine/threonine-protein kinase NLK" "Kinase" "Q9UBE8" "NLK" "NLK_HUMAN" 6.59 "Kd" "Binding constant for full-length NLK" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Mitogen-activated protein kinase kinase kinase kinase 2" "Kinase" "Q12851" "MAP4K2" "M4K2_HUMAN" 5.89 "Kd" "Binding constant for MAP4K2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Serine/threonine-protein kinase SIK1" "Kinase" "P57059" "SIK1" "SIK1_HUMAN" 8.41 "Kd" "Binding constant for SNF1LK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 7.57 "Kd" "Binding constant for full-length p38-alpha" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tchem" "Homo sapiens" +"dasatinib" 785 "Bcr/Abl fusion protein" "Kinase" "P00519|P11274" "ABL1|BCR" "ABL1_HUMAN|BCR_HUMAN" 9.10000038146973 "IC50" "Inhibition of wild type Bcr-Abl" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "Tclin|Tclin" "Homo sapiens" +"daunorubicin" 786 "DNA topoisomerase 2-alpha" "Enzyme" "P11388" "TOP2A" "TOP2A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL178" "INHIBITOR" "Tclin" "Homo sapiens" +"daunorubicin" 786 "Multidrug resistance-associated protein 6" "Transporter" "O95255" "ABCC6" "MRP6_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"daunorubicin" 786 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"daunorubicin" 786 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"daunorubicin" 786 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"daunorubicin" 786 "72 kDa type IV collagenase" "Enzyme" "P08253" "MMP2" "MMP2_HUMAN" 5.72 "IC50" "Inhibitory concentration against Clostridium histolyticum Collagenase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL178" "Tchem" "Homo sapiens" +"daunorubicin" 786 "ORF 73" "Unclassified" "O40947" "O40947_HHV8" 5.63 "AC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL178" "Human herpesvirus 8" +"deanol" 787 "Creatine transporter" "Unclassified" "P28570" "Slc6a8" "SC6A8_RAT" 4.68 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1135" "Rattus norvegicus" +"deanol" 787 "High affinity choline transporter 1" "Unclassified" "Q8BGY9" "Slc5a7" "SC5A7_MOUSE" 4.25 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1135" "Mus musculus" +"debrisoquine" 788 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"debrisoquine" 788 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"decamethonium" 789 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.60205984115601 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"decamethonium" 789 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 5.23 "IC50" "Inhibition of AChE" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1134" "Tclin" "Homo sapiens" +"decamethonium" 789 "Acetylcholinesterase" "Enzyme" "P21836" "Ache" "ACES_MOUSE" 5.46 "Ki" "Inhibition of mouse AChE" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1134" "Mus musculus" +"decamethonium" 789 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P09483|P12390" "Chrna4|Chrnb2" "ACHA4_RAT|ACHB2_RAT" 5.24 "Ki" "Binding affinity for nicotinic acetylcholine receptor alpha4-beta2 was evaluated by its ability to inhibit [3H]NIC binding to rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1134" "Rattus norvegicus" +"decamethonium" 789 "Histamine H3 receptor" "GPCR" "Q9Y5N1" "HRH3" "HRH3_HUMAN" 6.09 "IC50" "Inhibition of histamine H3 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1134" "Tclin" "Homo sapiens" +"decamethonium" 789 "Muscle-type nicotinic acetylcholine receptor" "Ion channel" "P02708|P07510|P11230|Q04844|Q07001" "CHRNA1|CHRNB1|CHRND|CHRNE|CHRNG" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN|ACHE_HUMAN|ACHG_HUMAN" "Mechanism of Action; CHEMBL2362997; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1134" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1134" "PARTIAL AGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"decitabine" 790 "DNA (cytosine-5)-methyltransferase 1" "Enzyme" "P26358" "DNMT1" "DNMT1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201129" "INHIBITOR" "Tclin" "Homo sapiens" +"decitabine" 790 "DNA (cytosine-5)-methyltransferase 3A" "Enzyme" "Q9Y6K1" "DNMT3A" "DNM3A_HUMAN" "Mechanism of Action; CHEMBL1992; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201129" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201129" "INHIBITOR" "Tclin" "Homo sapiens" +"deferoxamine" 792 "iron" "Inorganic material" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2011/016267s050lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2011/016267s050lbl.pdf" "CHELATING AGENT" +"deferoxamine" 792 "Hypoxia-inducible factor 1-alpha" "Transcription factor" "Q16665" "HIF1A" "HIF1A_HUMAN" 4.75 "EC50" "Activation of human HIF1alpha expressed in DFX-induced human U2OS cells incubated for 30 mins prior to DFX-induction measured after overnight incubation by luciferase reporter gene assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL556" "Tchem" "Homo sapiens" +"prasterone" 795 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 7.84 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL90593" "Tchem" "Homo sapiens" +"prasterone" 795 "Glucose-6-phosphate 1-dehydrogenase" "Enzyme" "P11413" "G6PD" "G6PD_HUMAN" 5.21 "Ki" "Inhibition of human G6PDH using NADP as substrate by Lineweaver-Burke plot" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL90593" "Tchem" "Homo sapiens" +"prasterone" 795 "Glucose-6-phosphate 1-dehydrogenase" "Enzyme" "Q9GRG7" "g6pd" "Q9GRG7_9TRYP" 5.96 "Ki" "Inhibition of Trypanosoma brucei G6PDH using NADP as substrate by Lineweaver-Burke plot" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL90593" "Trypanosoma brucei" +"prasterone" 795 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 5 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL90593" "Tbio" "Homo sapiens" +"delapril" 798 "Angiotensin-converting enzyme" "Enzyme" "P12822" "ACE" "ACE_RABIT" 6.92081880569458 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/3021350" "Oryctolagus cuniculus" +"delapril" 798 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 9.97000026702881 "Ki" "ACE inhibition in human coronary artery tissue" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/8891872" "http://www.ncbi.nlm.nih.gov/pubmed/8891872" "INHIBITOR" "Tclin" "Homo sapiens" +"delavirdine" 799 "Gag-Pol polyprotein" "Polyprotein" "P03369" "gag-pol" "POL_HV1A2" 6.5 "IC50" "WOMBAT-PK" "=" "Human immunodeficiency virus type 1 group M subtype B (isolate ARV2/SF2)" +"delavirdine" 799 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 5.2757 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"delavirdine" 799 "Malate dehydrogenase cytoplasmic " "Enzyme" "P40925" "MDH1" "MDHC_HUMAN" 4.07 "IC50" "Inhibition of malate dehydrogenase (MDH)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL593" "Tbio" "Homo sapiens" +"delavirdine" 799 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" 8.1 "IC50" "HIV-1 reverse transcriptase inhibitory activity against Wild Type Reverse transcriptase using (poly)rC600*(oligo)dGT as template primer." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL593" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL593" "INHIBITOR" "Human immunodeficiency virus 1" +"delavirdine" 799 "Beta-lactamase" "Enzyme" "P00811" "ampC" "AMPC_ECOLI" 4.05 "IC50" "Compound was tested for the inhibition of beta-lactamase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL593" "Escherichia coli (strain K12)" +"delavirdine" 799 "Reverse transcriptase" "Enzyme" "Q9WKE8" "reverse transcriptas" "Q9WKE8_9HIV1" 5.92 "IC50" "Inhibition of HIV1 wild type reverse transcriptase using poly rC.dG and [3H]dGTP as substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL593" "Human immunodeficiency virus 1" +"delorazepam" 800 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 8.745 "IC50" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin" "Homo sapiens" +"delorazepam" 800 "GABA-A receptor; anion channel" "Ion channel" "O00591|O14764|P14867|P18505|P18507|P28472|P31644|P34903|P47869|P47870|P48169|P78334|Q16445|Q8N1C3|Q99928|Q9UN88" "GABRA1|GABRA2|GABRA3|GABRA4|GABRA5|GABRA6|GABRB1|GABRB2|GABRB3|GABRD|GABRE|GABRG1|GABRG2|GABRG3|GABRP|GABRQ" "GBRA1_HUMAN|GBRA2_HUMAN|GBRA3_HUMAN|GBRA4_HUMAN|GBRA5_HUMAN|GBRA6_HUMAN|GBRB1_HUMAN|GBRB2_HUMAN|GBRB3_HUMAN|GBRD_HUMAN|GBRE_HUMAN|GBRG1_HUMAN|GBRG2_HUMAN|GBRG3_HUMAN|GBRP_HUMAN|GBRT_HUMAN" 8.55000019073486 "IC50" "In vitro displacement of [3H]-diazepam from GABA-A Benzodiazepine receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL268254" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"demecarium" 801 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00944" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200514" "INHIBITOR" "Tclin" "Homo sapiens" +"demeclocycline" 802 "30S ribosomal protein S4" "Ribosomal protein" "P0A7V8" "rpsD" "RS4_ECOLI" "WOMBAT-PK" "Escherichia coli (strain K12)" +"demeclocycline" 802 "30S ribosomal protein S9" "Ribosomal protein" "P0A7X3" "rpsI" "RS9_ECOLI" "WOMBAT-PK" "Escherichia coli (strain K12)" +"demeclocycline" 802 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 7.21000003814697 "IC50" "PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Secondary Assay. (Class of assay: confirmatory) [Related pubchem assays: 633 (Primary screen preceding this ELISA dose response confirmation assay.), 733 (Primary dose response assay preceding this ELISA dose response confirmation assay.)]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1591" "Tclin" "Homo sapiens" +"denopamine" 806 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.8 "Ki" "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=534" "http://www.ncbi.nlm.nih.gov/pubmed/12487507" "AGONIST" "Tclin" "Homo sapiens" +"denopamine" 806 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.33 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL493682" "Tchem" "Homo sapiens" +"deptropine" 808 "Soluble acetylcholine receptor" "Unclassified" "Q8WSF8" "Q8WSF8_APLCA" 5.2 "Ki" "Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1946186" "Aplysia californica" +"deptropine" 808 "Acetylcholine-binding protein" "Unclassified" "P58154" "ACHP_LYMST" 5.7 "Ki" "Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1946186" "Lymnaea stagnalis" +"desalkylflurazepam" 809 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 8.699 "IC50" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin" "Homo sapiens" +"deserpidine" 810 "Synaptic vesicular amine transporter" "Transporter" "Q05940" "SLC18A2" "VMAT2_HUMAN" "Mechanism of Action; CHEMBL1893; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200515" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200515" "INHIBITOR" "Tclin" "Homo sapiens" +"desflurane" 811 "Glycine receptor (alpha-1/beta)" "Ion channel" "P23415|P48167" "GLRA1|GLRB" "GLRA1_HUMAN|GLRB_HUMAN" "Mechanism of Action; CHEMBL2363052; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200733" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200733" "POSITIVE MODULATOR" "Tclin|Tclin" "Homo sapiens" +"desflurane" 811 "GABA-A receptor; anion channel" "Ion channel" "O00591|O14764|P14867|P18505|P18507|P28472|P31644|P34903|P47869|P47870|P48169|P78334|Q16445|Q8N1C3|Q99928|Q9UN88" "GABRA1|GABRA2|GABRA3|GABRA4|GABRA5|GABRA6|GABRB1|GABRB2|GABRB3|GABRD|GABRE|GABRG1|GABRG2|GABRG3|GABRP|GABRQ" "GBRA1_HUMAN|GBRA2_HUMAN|GBRA3_HUMAN|GBRA4_HUMAN|GBRA5_HUMAN|GBRA6_HUMAN|GBRB1_HUMAN|GBRB2_HUMAN|GBRB3_HUMAN|GBRD_HUMAN|GBRE_HUMAN|GBRG1_HUMAN|GBRG2_HUMAN|GBRG3_HUMAN|GBRP_HUMAN|GBRT_HUMAN" "Mechanism of Action; CHEMBL2093872; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200733" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200733" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"desflurane" 811 "Potassium channel subfamily K member 10" "Ion channel" "P57789" "KCNK10" "KCNKA_HUMAN" "Mechanism of Action; CHEMBL2331041; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200733" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200733" "OPENER" "Tclin" "Homo sapiens" +"desflurane" 811 "Potassium channel subfamily K member 18" "Ion channel" "Q7Z418" "KCNK18" "KCNKI_HUMAN" "Mechanism of Action; CHEMBL2331042; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200733" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200733" "OPENER" "Tclin" "Homo sapiens" +"desflurane" 811 "Potassium channel subfamily K member 3" "Ion channel" "O14649" "KCNK3" "KCNK3_HUMAN" "Mechanism of Action; CHEMBL2321613; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200733" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200733" "OPENER" "Tclin" "Homo sapiens" +"desflurane" 811 "Potassium channel subfamily K member 9" "Ion channel" "Q9NPC2" "KCNK9" "KCNK9_HUMAN" "Mechanism of Action; CHEMBL2321614; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200733" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200733" "OPENER" "Tclin" "Homo sapiens" +"desflurane" 811 "Potassium channel subfamily K member 2" "Ion channel" "O95069" "KCNK2" "KCNK2_HUMAN" "Mechanism of Action; CHEMBL2321615; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200733" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200733" "OPENER" "Tclin" "Homo sapiens" +"desipramine" 812 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.12 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"desipramine" 812 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.63126468658447 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"desipramine" 812 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.19381999969482 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"desipramine" 812 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 5.19 "Ki" "Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL72" "Rattus norvegicus" +"desipramine" 812 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 6.79 "Ki" "Ability to inhibit reuptake of serotonin ([3H]5-HT) at serotonin transporter of rat midbrian" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL72" "Rattus norvegicus" +"desipramine" 812 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 9.11 "Ki" "Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL72" "Rattus norvegicus" +"desipramine" 812 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 9.6 "IC50" "Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL72" "Rattus norvegicus" +"desipramine" 812 "Sodium-dependent noradrenaline transporter" "Transporter" "O55192" "Slc6a2" "SC6A2_MOUSE" 5.8 "IC50" "Inhibition of noradrenaline transporter in NMRI albino mouse brain assessed as [3H]NA accumulation in hypothalamus after 5 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL72" "Mus musculus" +"desipramine" 812 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 9.31 "Ki" "In vitro competitive binding versus [N-methyl-3H]WIN-35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL72" "Tclin" "Homo sapiens" +"desipramine" 812 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.25 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL72" "Tchem" "Homo sapiens" +"desipramine" 812 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 9.19 "Ki" "Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL72" "Rattus norvegicus" +"desipramine" 812 "Sodium-dependent serotonin transporter" "Transporter" "Q60857" "Slc6a4" "SC6A4_MOUSE" 5.03 "IC50" "Inhibition of 5-HT transporter in NMRI albino mouse brain assessed as [3H]5-HT accumulation in hypothalamus after 5 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL72" "Mus musculus" +"desipramine" 812 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.62 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL72" "Tclin|Tclin|Tclin" "Homo sapiens" +"desipramine" 812 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 9.1 "IC50" "Compound tested for its inhibitory activity against Histamine H1 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL72" "Rattus norvegicus" +"desipramine" 812 "Serotonin (5-HT) receptor" "GPCR" "P08909|P14842|P19327|P28564|P28565|P30940|P30994|P31388|P32305|P35364|P35365|P35563|Q62758|Q9JJ16" "Htr1a|Htr1b|Htr1d|Htr1f|Htr2a|Htr2b|Htr2c|Htr3a|Htr3b|Htr4|Htr5a|Htr5b|Htr6|Htr7" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT|5HT2A_RAT|5HT2B_RAT|5HT2C_RAT|5HT3A_RAT|5HT3B_RAT|5HT4R_RAT|5HT5A_RAT|5HT5B_RAT|5HT6R_RAT|5HT7R_RAT" 6.46 "IC50" "Compound was tested for its inhibitory activity against 5-hydroxytryptamine receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL72" "Rattus norvegicus" +"desipramine" 812 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"desipramine" 812 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.7959 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"desipramine" 812 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 9.0809 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL72" "INHIBITOR" "Tclin" "Homo sapiens" +"desipramine" 812 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.7545 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"desipramine" 812 "Voltage-dependent calcium channel gamma-1 subunit" "Ion channel" "Q06432" "CACNG1" "CCG1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"desipramine" 812 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.84 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"desipramine" 812 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.8 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"desipramine" 812 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.68 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"desipramine" 812 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.27 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"desipramine" 812 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.76 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"desipramine" 812 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"desipramine" 812 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.5 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"desipramine" 812 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.5 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"desipramine" 812 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.86 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"desipramine" 812 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.974694135 "Ki" "PDSP" "Tclin" "Homo sapiens" +"desipramine" 812 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.860435734 "Ki" "PDSP" "Tclin" "Homo sapiens" +"desipramine" 812 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.262807357 "Ki" "PDSP" "Tclin" "Homo sapiens" +"desipramine" 812 "G protein-activated inward rectifier potassium channel 2" "Ion channel" "P48542" "Kcnj6" "KCNJ6_MOUSE" 4.4 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2399" "BLOCKER" "Mus musculus" +"desipramine" 812 "G protein-activated inward rectifier potassium channel 4" "Unclassified" "P48545" "Kcnj5" "KCNJ5_MOUSE" 4.3 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2399" "BLOCKER" "Mus musculus" +"desipramine" 812 "Equilibrative nucleoside transporter 4" "Transporter" "Q7RTT9" "SLC29A4" "S29A4_HUMAN" 4.49 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2399" "INHIBITOR" "Tbio" "Homo sapiens" +"deslanoside" 813 "Sodium/potassium-transporting ATPase" "Transporter" "P05023|P05026|P13637|P14415|P50993|P54709|P54710|Q13733" "ATP1A1|ATP1A2|ATP1A3|ATP1A4|ATP1B1|ATP1B2|ATP1B3|FXYD2" "AT1A1_HUMAN|AT1A2_HUMAN|AT1A3_HUMAN|AT1A4_HUMAN|AT1B1_HUMAN|AT1B2_HUMAN|AT1B3_HUMAN|ATNG_HUMAN" "Mechanism of Action; CHEMBL2095186; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1614" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1614" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"desloratadine" 814 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 9.4 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1172" "ANTAGONIST" "Tclin" "Homo sapiens" +"desloratadine" 814 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.913640169 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"desloratadine" 814 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.955852379 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"desloratadine" 814 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.024568191 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"desloratadine" 814 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.552841969 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"desloratadine" 814 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.795880017 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"desloratadine" 814 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.996539468 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"desloratadine" 814 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.008773924 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"desloratadine" 814 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.189095719 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"desloratadine" 814 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.966576245 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"desloratadine" 814 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.511167366 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"desloratadine" 814 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 5.697885623 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"desloratadine" 814 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 4.37 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"desloratadine" 814 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.3 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"desloratadine" 814 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"desloratadine" 814 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.49 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"desloratadine" 814 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.6 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"desloratadine" 814 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.74 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nordazepam" 816 "GABA-A receptor; anion channel" "Ion channel" "A2AMW3|P16305|P22723|P22933|P26048|P26049|P27681|P50571|P62812|P63080|Q8BHJ7|Q8QZW7|Q9D6F4|Q9JLF1|Q9R0Y8" "Gabra1|Gabra2|Gabra3|Gabra4|Gabra5|Gabra6|Gabrb1|Gabrb3|Gabrd|Gabre|Gabrg1|Gabrg2|Gabrg3|Gabrp|Gabrq" "A2AMW3_MOUSE|GBRA1_MOUSE|GBRA2_MOUSE|GBRA3_MOUSE|GBRA4_MOUSE|GBRA5_MOUSE|GBRA6_MOUSE|GBRB1_MOUSE|GBRB3_MOUSE|GBRD_MOUSE|GBRG1_MOUSE|GBRG2_MOUSE|GBRG3_MOUSE|GBRP_MOUSE|GBRT_MOUSE" 4.14 "Ki" "Binding affinity for umolar GABA-A central benzodiazepine receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL523" "Mus musculus" +"nordazepam" 816 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 6.284 "IC50" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin" "Homo sapiens" +"nordazepam" 816 "Gamma-aminobutyric acid receptor subunit rho-2" "Ion channel" "P28476" "GABRR2" "GBRR2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"nordazepam" 816 "Gamma-aminobutyric acid type B receptor subunit 2" "GPCR" "O75899" "GABBR2" "GABR2_HUMAN" 8.027 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"desmopressin" 817 "Oxytocin receptor" "GPCR" "P30559" "OXTR" "OXYR_HUMAN" 7.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2182" "AGONIST" "Tclin" "Homo sapiens" +"desmopressin" 817 "Vasopressin V2 receptor" "GPCR" "Q00788" "Avpr2" "V2R_RAT" 9.1 "Ki" "Displacement of [3H]AVP from vasopressin V2 receptor in rat kidney membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1429" "Rattus norvegicus" +"desmopressin" 817 "Vasopressin V2 receptor" "GPCR" "P30518" "AVPR2" "V2R_HUMAN" 8.3 "Ki" "Binding affinity against human vasopressin V2 receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptors" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1429" "http://www.ncbi.nlm.nih.gov/pubmed/9792651" "AGONIST" "Tclin" "Homo sapiens" +"desmopressin" 817 "Vasopressin V1a receptor" "GPCR" "P37288" "AVPR1A" "V1AR_HUMAN" 8.42 "Ki" "Binding affinity against human vasopressin V1a receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptors" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1429" "Tclin" "Homo sapiens" +"desmopressin" 817 "Vasopressin V1b receptor" "GPCR" "P47901" "AVPR1B" "V1BR_HUMAN" 9.43 "Ki" "Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptors" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1429" "Tclin" "Homo sapiens" +"desmopressin" 817 "Vasopressin V1b receptor" "GPCR" "P48974" "Avpr1b" "V1BR_RAT" 9.7 "Ki" "Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in At-T20 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1429" "Rattus norvegicus" +"desmopressin" 817 "Vasopressin V1a receptor" "GPCR" "P30560" "Avpr1a" "V1AR_RAT" 7.97 "Ki" "Displacement of [3H]AVP from vasopressin V1a receptor in rat liver membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1429" "Rattus norvegicus" +"desmopressin" 817 "Oxytocin receptor" "GPCR" "P70536" "Oxtr" "OXYR_RAT" 9.01 "Ki" "Displacement of [3H]AVP from rat OT receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1429" "Rattus norvegicus" +"desogestrel" 818 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1533" "AGONIST" "Tclin" "Homo sapiens" +"desogestrel" 818 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 6.6 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1533" "Tchem" "Homo sapiens" +"desoximetasone" 819 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.931814138 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1766" "AGONIST" "Tclin" "Homo sapiens" +"desoximetasone" 819 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 7.958607315 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"desoximetasone" 819 "Annexin A1" "Cytosolic other" "P04083" "ANXA1" "ANXA1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"desoxycortone" 820 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.853871964 "Ki" "PDSP" "Tclin" "Homo sapiens" +"desoxycortone" 820 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.698970004 "Ki" "PDSP" "Tclin" "Homo sapiens" +"desoxycortone" 820 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 7.38 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1498" "Tchem" "Homo sapiens" +"desoxycortone" 820 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.49757288 "Ki" "PDSP" "Tclin" "Homo sapiens" +"desoxycortone" 820 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 7.2 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2871" "AGONIST" "Tclin" "Homo sapiens" +"desoxycortone" 820 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 11 "IC50" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2871" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1498" "AGONIST" "Tclin" "Homo sapiens" +"desoxycortone" 820 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 7.65 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1498" "Tbio" "Homo sapiens" +"desoxycorticosterone acetate" 821 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" "Mechanism of Action; CHEMBL1994; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200542" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200542" "AGONIST" "Tclin" "Homo sapiens" +"desoxycorticosterone pivalate" 822 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 11 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200592" "AGONIST" "Tclin" "Homo sapiens" +"dexamethasone" 824 "Interleukin-4" "Cytokine" "P05112" "IL4" "IL4_HUMAN" 8.33 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"dexamethasone" 824 "Interleukin-5" "Cytokine" "P05113" "IL5" "IL5_HUMAN" 8.456 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"dexamethasone" 824 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.88 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL384467" "AGONIST" "Tclin" "Homo sapiens" +"dexamethasone" 824 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 4.785924791 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"dexamethasone" 824 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 5.51741223 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"dexamethasone" 824 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 9 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"dexamethasone" 824 "Annexin A1" "Cytosolic other" "P04083" "ANXA1" "ANXA1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"dexamethasone" 824 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 6.25 "Ki" "Displacement of [3H]-methyltrienolone from human progesterone receptor expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL384467" "Tclin" "Homo sapiens" +"dexamethasone" 824 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 5.85 "Ki" "Displacement of [3H]-methyltrienolone from human androgen receptor expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL384467" "Tclin" "Homo sapiens" +"dexamethasone" 824 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 4.66 "Ki" "Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP high binding affinity site expressed in Escherichia coli BL21 by competitive fluorescence displacement assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL384467" "Rattus norvegicus" +"dexamethasone" 824 "Glucocorticoid receptor" "Transcription factor" "P06536" "Nr3c1" "GCR_RAT" 7.66 "IC50" "Displacement of [3H]dexamethasone from Sprague-Dawley rat GR by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL384467" "Rattus norvegicus" +"dexamethasone" 824 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.886056648 "Ki" "PDSP" "Tclin" "Homo sapiens" +"dexamethasone" 824 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O54915" "Nr1i2" "NR1I2_MOUSE" 6.1 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2768" "AGONIST" "Mus musculus" +"dexamethasone acetate" 826 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action; CHEMBL2034; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1651" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1651" "AGONIST" "Tclin" "Homo sapiens" +"dexamethasone palmitate" 828 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 4.66 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL384467" "Rattus norvegicus" +"dexamethasone palmitate" 828 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.26 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL384467" "Tclin" "Homo sapiens" +"dexamethasone palmitate" 828 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 7.48 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL384467" "Tclin" "Homo sapiens" +"dexamethasone palmitate" 828 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 6.25 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL384467" "Tclin" "Homo sapiens" +"dexamethasone palmitate" 828 "Glucocorticoid receptor" "Transcription factor" "P06536" "Nr3c1" "GCR_RAT" 7.66 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL384467" "Rattus norvegicus" +"dexamethasone palmitate" 828 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 5.85 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL384467" "Tclin" "Homo sapiens" +"dexamethasone palmitate" 828 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 4.09 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL384467" "Rattus norvegicus" +"dexamethasone palmitate" 828 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 4.63 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL384467" "Bos taurus" +"dexamethasone valerate" 829 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 4.66 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL384467" "Rattus norvegicus" +"dexamethasone valerate" 829 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.26 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL384467" "Tclin" "Homo sapiens" +"dexamethasone valerate" 829 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 7.48 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL384467" "Tclin" "Homo sapiens" +"dexamethasone valerate" 829 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 6.25 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL384467" "Tclin" "Homo sapiens" +"dexamethasone valerate" 829 "Glucocorticoid receptor" "Transcription factor" "P06536" "Nr3c1" "GCR_RAT" 7.66 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL384467" "Rattus norvegicus" +"dexamethasone valerate" 829 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 5.85 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL384467" "Tclin" "Homo sapiens" +"dexamethasone valerate" 829 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 4.09 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL384467" "Rattus norvegicus" +"dexamethasone valerate" 829 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 4.63 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL384467" "Bos taurus" +"dexbrompheniramine" 830 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00405" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200638" "ANTAGONIST" "Tclin" "Homo sapiens" +"dexetimide" 831 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 8.9 "Ki" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=354" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=354" "ANTAGONIST" "Tclin" "Homo sapiens" +"dexetimide" 831 "Muscarinic acetylcholine receptor" "GPCR" "P12657|P32211|Q920H4|Q9ERZ3|Q9ERZ4" "Chrm1|Chrm2|Chrm3|Chrm4|Chrm5" "ACM1_MOUSE|ACM2_MOUSE|ACM3_MOUSE|ACM4_MOUSE|ACM5_MOUSE" 8.48 "IC50" "Ability (10 ug/kg) to inhibit binding of [125I]iododexetimide to muscarinic receptor in mice" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1908364" "Mus musculus" +"dexetimide" 831 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 8.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=354" "ANTAGONIST" "Rattus norvegicus" +"dexfenfluramine" 832 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.04191398620606 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"dexfenfluramine" 832 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 6.84771156311035 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"dexfenfluramine" 832 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 5.25705337524414 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"dexfenfluramine" 832 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.17587423324585 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"dexfenfluramine" 832 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.79048490524292 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"dexfenfluramine" 832 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.60730314254761 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"dexfenfluramine" 832 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 5.71964931488037 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"dexfenfluramine" 832 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 5.89825296401978 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"dexfenfluramine" 832 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.32585859298706 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"dexfenfluramine" 832 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.70553398132324 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"dexfenfluramine" 832 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.619788646698 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"dexfenfluramine" 832 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.73306322097778 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"dexfenfluramine" 832 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.27490568161011 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"dexfenfluramine" 832 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.08039903640747 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"dexfenfluramine" 832 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.00152921676636 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"dexfenfluramine" 832 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.15598106384277 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"dexfenfluramine" 832 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.57660102844238 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"dexfenfluramine" 832 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.663540266 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dexfenfluramine" 832 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 6.5702 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"dexfenfluramine" 832 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.3836 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"dexfenfluramine" 832 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.47 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL248702" "Rattus norvegicus" +"dexketoprofen" 833 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 8.72 "IC50" "Concentration required for 50% inhibition against Prostaglandin G/H synthase 1 from human" "CHEMBL" "=" 1 "KEGG DRUG" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL75435" "http://www.kegg.jp/entry/D07269" "INHIBITOR" "Tclin" "Homo sapiens" +"dexketoprofen" 833 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 7.57 "IC50" "Concentration required for 50% inhibition against Prostaglandin G/H synthase 2 from human" "CHEMBL" "=" 1 "KEGG DRUG" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL75435" "http://www.kegg.jp/entry/D07269" "INHIBITOR" "Tclin" "Homo sapiens" +"dexloxiglumide" 834 "Cholecystokinin receptor type A" "GPCR" "P32238" "CCKAR" "CCKAR_HUMAN" 6.8861 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"dexmedetomidine" 835 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 9.7 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=521" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL778" "AGONIST" "Tclin" "Homo sapiens" +"dexmedetomidine" 835 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 9.3 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=521" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL778" "AGONIST" "Tclin" "Homo sapiens" +"dexmedetomidine" 835 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 10.82 "Ki" "In vitro binding affinity against alpha-2 adrenergic receptor in rat" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL778" "Rattus norvegicus" +"dexmedetomidine" 835 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 10.82 "Ki" "In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar rat" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL778" "Tclin" "Homo sapiens" +"dexmedetomidine" 835 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 8.3 "Ki" "Tested for Binding affinity towards alpha-1 adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL778" "Rattus norvegicus" +"dexmedetomidine" 835 "Alpha-2A adrenergic receptor" "GPCR" "P22909" "Adra2a" "ADA2A_RAT" 10.82 "Ki" "Binding affinity towards alpha-2D adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL778" "Rattus norvegicus" +"dexmedetomidine" 835 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 8.82 "EC50" "Agonist activity at human recombinant alpha2A adrenergic receptor expressed in CHO cells assessed as induction of [35S]GTPgammaS binding after 60 mins by scintillation counting" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL778" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL778" "AGONIST" "Tclin" "Homo sapiens" +"dexmedetomidine" 835 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 6.699999416 "Ki" "PDSP" "Tclin" "Homo sapiens" +"dexmedetomidine" 835 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 6.499999953 "Ki" "PDSP" "Tclin" "Homo sapiens" +"dexmethylphenidate" 836 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 7.13 "Ki" "Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL827" "Rattus norvegicus" +"dexmethylphenidate" 836 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd2|Drd3|Drd4|Drd5" "DRD1_RAT|DRD2_RAT|DRD3_RAT|DRD4_RAT|DRD5_RAT" 7.08 "IC50" "Potency of inhibiting [3H]WIN-35428 binding to dopamine receptor in rat striatal membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL827" "Rattus norvegicus" +"dexmethylphenidate" 836 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 7.8 "Ki" "Displacement of [3H]WIN-35,428 from human DAT expressed in mouse N2A cells after 15 mins by liquid scintillation counting" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL827" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL827" "INHIBITOR" "Tclin" "Homo sapiens" +"dexmethylphenidate" 836 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 6.57 "Ki" "Displacement of [3H]nisoxetine from NET in Sprague-Dawley rat cortical tissue" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL827" "Rattus norvegicus" +"dexmethylphenidate" 836 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL827" "INHIBITOR" "Tclin" "Homo sapiens" +"dexniguldipine" 837 "Voltage-gated L-type calcium channel" "Ion channel" "Q01668|Q13936" "CACNA1C|CACNA1D" "CAC1C_HUMAN|CAC1D_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/2547493" "http://www.ncbi.nlm.nih.gov/pubmed/2547493" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"dexniguldipine" 837 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 5.8239 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"dexniguldipine" 837 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 7.4318 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"dexniguldipine" 837 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.05 "Ki" "Ability to displace [3H]rauwolscine from cloned human Alpha-2A adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL405355" "Tclin" "Homo sapiens" +"dexniguldipine" 837 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.77 "Ki" "Ability to displace [3H]prazosin from cloned human Alpha-1D adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL405355" "Tclin" "Homo sapiens" +"dexniguldipine" 837 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 10 "Ki" "GRAC: human a1A selective antagonist" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL405355" "Tclin" "Homo sapiens" +"dexniguldipine" 837 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.25 "Ki" "Ability to displace [3H]prazosin from cloned human Alpha-1B adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL405355" "Tclin" "Homo sapiens" +"dexniguldipine" 837 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.18 "Ki" "Ability to displace [3H]rauwolscine from cloned human Alpha-2B adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL405355" "Tclin" "Homo sapiens" +"dexniguldipine" 837 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.35 "Ki" "Ability to displace [3H]rauwolscine from cloned human Alpha-2C adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL405355" "Tclin" "Homo sapiens" +"dexniguldipine" 837 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.72 "Ki" "Displacement of [125 I]AB-MECA from human Adenosine A3 receptor expressed in HEK cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL405355" "Tchem" "Homo sapiens" +"dexniguldipine" 837 "Voltage-gated L-type calcium channel" "Ion channel" "P22002|P27732|Q02485" "Cacna1c|Cacna1d|Cacna1s" "CAC1C_RAT|CAC1D_RAT|CAC1S_RAT" 7.22 "Ki" "Inhibition of [3H]-isradipine binding to L-type [Ca2+] channel of rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL405355" "Rattus norvegicus" +"dexniguldipine" 837 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 4.38 "Ki" "Displacement of [3H]R-PIA from Adenosine A1 receptor of rat brain membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL405355" "Rattus norvegicus" +"dexniguldipine" 837 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 8.2 "Ki" "Binding affinity towards Alpha-1A adrenergic receptor in rat hippocampal membranes using [3H]prazosin as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL405355" "Rattus norvegicus" +"dexniguldipine" 837 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.42 "Ki" "Binding affinity towards Alpha-1B adrenergic receptor in rat liver using [3H]prazosin as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL405355" "Rattus norvegicus" +"dexniguldipine" 837 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 6.53 "Ki" "Binding affinity towards Dopamine receptor D2 in rat striatum using [3H]spiperone as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL405355" "Rattus norvegicus" +"dexniguldipine" 837 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 9.42 "Ki" "Binding affinity towards Alpha-1A adrenergic receptor in bovine brain using [3H]prazosin as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL405355" "Bos taurus" +"dexniguldipine" 837 "Alpha-1D adrenergic receptor" "GPCR" "P23944" "Adra1d" "ADA1D_RAT" 7.08 "Ki" "Binding affinity towards Alpha-1D adrenergic receptor in rat brain using [3H]prazosin as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL405355" "Rattus norvegicus" +"dexrazoxane" 839 "iron" "Inorganic material" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/020212s017lbl.pdf" "CHELATING AGENT" +"dexamfetamine" 841 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.68 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL612" "RELEASING AGENT" "Tclin" "Homo sapiens" +"dexamfetamine" 841 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 5.31 "IC50" "Inhibition of dopamine transporter-mediated [3H]dopamine uptake in Wistar rat striatal synaptosomes by liquid scintillation spectrometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL612" "Rattus norvegicus" +"dexamfetamine" 841 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 4.84 "Ki" "Inhibition of human recombinant MAOA by spectrophotometrically" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL612" "Tclin" "Homo sapiens" +"dexamfetamine" 841 "Trace amine-associated receptor 1" "GPCR" "Q923Y9" "Taar1" "TAAR1_RAT" 7.25 "EC50" "Activation of rat wild type TAAR1 expressed in HEK293 cells assessed as stimulation of cAMP production after 1 hr by chemiluminescent assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL612" "Rattus norvegicus" +"dexamfetamine" 841 "Trace amine-associated receptor 1" "GPCR" "Q923Y8" "Taar1" "TAAR1_MOUSE" 8.7 "EC50" "Activation of mouse TAAR1 expressed in human HEK293 cells assessed as accumulation of cAMP after 15 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL612" "Mus musculus" +"dexamfetamine" 841 "Serotonin (5-HT) receptor" "GPCR" "P08909|P14842|P19327|P28564|P28565|P30940|P30994|P31388|P32305|P35364|P35365|P35563|Q62758|Q9JJ16" "Htr1a|Htr1b|Htr1d|Htr1f|Htr2a|Htr2b|Htr2c|Htr3a|Htr3b|Htr4|Htr5a|Htr5b|Htr6|Htr7" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT|5HT2A_RAT|5HT2B_RAT|5HT2C_RAT|5HT3A_RAT|5HT3B_RAT|5HT4R_RAT|5HT5A_RAT|5HT5B_RAT|5HT6R_RAT|5HT7R_RAT" 5.35 "Kd" "Affinity against 5-hydroxytryptamine receptors in rat fundus model" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL612" "Rattus norvegicus" +"dexamfetamine" 841 "Trace amine-associated receptor 1" "GPCR" "Q8HZ64" "TAAR1" "TAAR1_MACMU" 6 "EC50" "Activation of rhesus monkey TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein assessed as cAMP accumulation by fluorescence plate reader" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL612" "Macaca mulatta" +"dexamfetamine" 841 "Amine oxidase [flavin-containing] A" "Enzyme" "P21396" "Maoa" "AOFA_RAT" 4.91 "Ki" "Inhibition of MAOA in rat brain mitochondrial suspension" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL612" "Rattus norvegicus" +"dexamfetamine" 841 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.24 "Ki" "Inhibition of [3H]5-HT uptake at human SERT expressed in HEK293 cells preincubated for 10 mins prior to substrate addition measured after 4 mins by FLIPR assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL612" "Tclin" "Homo sapiens" +"dexamfetamine" 841 "Synaptic vesicular amine transporter" "Transporter" "Q05940" "SLC18A2" "VMAT2_HUMAN" "Mechanism of Action; CHEMBL1893; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL612" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL612" "INHIBITOR" "Tclin" "Homo sapiens" +"dexamfetamine" 841 "Trace amine-associated receptor 1" "GPCR" "Q96RJ0" "TAAR1" "TAAR1_HUMAN" 6.87 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"dexamfetamine" 841 "Cocaine- and amphetamine-regulated transcript protein" "Transcription factor" "Q16568" "CARTPT" "CART_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"dexamfetamine" 841 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"dexamfetamine" 841 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"dexamfetamine" 841 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.180061431 "Ki" "PDSP" "Tclin" "Homo sapiens" +"dexamfetamine" 841 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2147" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL612" "INHIBITOR" "Tclin" "Homo sapiens" +"dextromethorphan" 842 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.4584 "D2" "WOMBAT-PK" "=" "AGONIST" "Tclin" "Homo sapiens" +"dextromethorphan" 842 "Glutamate receptor ionotropic, NMDA 3A" "Ion channel" "Q8TCU5" "GRIN3A" "NMD3A_HUMAN" 5.699 "IC50" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"dextromethorphan" 842 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 8.841637508 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dextromethorphan" 842 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P04774|P04775|P08104" "Scn1a|Scn2a|Scn3a" "SCN1A_RAT|SCN2A_RAT|SCN3A_RAT" 5.89 "IC50" "Inhibition of [3H]batrachotoxin binding to rat brain sodium channel" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL52440" "Rattus norvegicus" +"dextromethorphan" 842 "Sigma non-opioid intracellular receptor 1" "Membrane other" "Q60492" "SIGMAR1" "SGMR1_CAVPO" 7.82 "IC50" "Displacement of [3H]pentazocine from sigma1 receptor in guinea pig membrane in presence of phenytoin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL52440" "Cavia porcellus" +"dextromethorphan" 842 "Glutamate NMDA receptor" "Ion channel" "P35439|Q00959|Q00960|Q00961|Q62645|Q8VHN2|Q9R1M7" "Grin1|Grin2a|Grin2b|Grin2c|Grin2d|Grin3a|Grin3b" "NMD3A_RAT|NMD3B_RAT|NMDE1_RAT|NMDE2_RAT|NMDE3_RAT|NMDE4_RAT|NMDZ1_RAT" 5.65 "Ki" "Binding affinity was measured against phencyclidine (PCP) receptor in rat using [3H]TCP as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL52440" "Rattus norvegicus" +"dextromethorphan" 842 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q9R0C9" "Sigmar1" "SGMR1_RAT" 5.29 "Ki" "Binding affinity was measured as selectivity for sigma-1 site over muscarinic (M1) receptor in rat" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL52440" "Rattus norvegicus" +"dextromethorphan" 842 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 4.48 "Ks" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"dextromethorphan" 842 "Glutamate receptor ionotropic, NMDA 2C" "Ion channel" "Q14957" "GRIN2C" "NMDE3_HUMAN" 6.33 "IC50" "Measured vs. exogenously expressed zeta1/epsilon3 (GRIN1/GRIN2C) subunits, at pH 6.9" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6953" "BLOCKER" "Tclin" "Homo sapiens" +"dextropropoxyphene" 844 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1213351" "AGONIST" "Tclin" "Homo sapiens" +"dextropropoxyphene" 844 "Glutamate receptor ionotropic, NMDA 3A" "Ion channel" "Q8TCU5" "GRIN3A" "NMD3A_HUMAN" 5.301 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"dextropropoxyphene" 844 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"dextrothyroxine" 846 "Glutamate NMDA receptor" "Ion channel" "P35439|Q00959|Q00960|Q00961|Q62645|Q8VHN2|Q9R1M7" "Grin1|Grin2a|Grin2b|Grin2c|Grin2d|Grin3a|Grin3b" "NMD3A_RAT|NMD3B_RAT|NMDE1_RAT|NMDE2_RAT|NMDE3_RAT|NMDE4_RAT|NMDZ1_RAT" 6.48 "IC50" "Ability to displace [3H]L-689560 from NMDA receptor glycine site in rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL559" "Rattus norvegicus" +"dextrothyroxine" 846 "Thyroid hormone receptor beta" "Transcription factor" "P18113" "Thrb" "THB_RAT" 7.46 "IC50" "In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL559" "Rattus norvegicus" +"dextrothyroxine" 846 "Thyroid hormone receptor" "Nuclear hormone receptor" "P10827|P10828" "THRA|THRB" "THA_HUMAN|THB_HUMAN" "Mechanism of Action; CHEMBL2111462; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL559" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL559" "AGONIST" "Tclin|Tclin" "Homo sapiens" +"dezocine" 847 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1685" "ANTAGONIST" "Tclin" "Homo sapiens" +"dezocine" 847 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 7.42 "EC50" "Agonist activity at human cloned mu opioid receptor by [35S]GTPgammaS binding assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1685" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1685" "PARTIAL AGONIST" "Tclin" "Homo sapiens" +"diacerein" 849 "Caspase-3" "Enzyme" "P42574" "CASP3" "CASP3_HUMAN" 5.09999990463257 "EC50" "PUBCHEM_BIOASSAY: Absorbance-based biochemical high throughput dose response assay for activators of procaspase-3. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463141, AID463197, AID463210, AID488941, AID488954, AID493114, AID493115, AID504328, AID504330]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL41286" "Tchem" "Homo sapiens" +"diacerein" 849 "Caspase-7" "Enzyme" "P55210" "CASP7" "CASP7_HUMAN" 4.82999992370606 "EC50" "PUBCHEM_BIOASSAY: Counterscreen for procaspase-3 activators: absorbance-based biochemical high throughput dose response assay for activators of procaspase-7. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463141, AID463197, AID463210, AID488941, AID488954, AID493114, AID493115, AID504328, AID504330]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL41286" "Tchem" "Homo sapiens" +"diacerein" 849 "Female germline-specific tumor suppressor gld-1" "Unclassified" "Q17339" "gld-1" "GLD1_CAEEL" 5.14 "IC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL41286" "Caenorhabditis elegans" +"diazepam" 852 "Gamma-aminobutyric acid receptor subunit alpha-2" "Ion channel" "P23576" "Gabra2" "GBRA2_RAT" 7.82 "Ki" "Displacement of [3H]flumazenil from rat GABA-A alpha-2-beta-2-gamma-2 receptor expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "Rattus norvegicus" +"diazepam" 852 "GABA-A receptor; alpha-1/beta-2/gamma-2" "Ion channel" "P18508|P62813|P63138" "Gabra1|Gabrb2|Gabrg2" "GBRA1_RAT|GBRB2_RAT|GBRG2_RAT" 7.92 "Ki" "Displacement of [3H]Ro15-1788 from rat recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "Rattus norvegicus" +"diazepam" 852 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 7.92 "IC50" "Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "Tchem" "Homo sapiens" +"diazepam" 852 "Gamma-aminobutyric acid receptor subunit alpha-1" "Ion channel" "P62813" "Gabra1" "GBRA1_RAT" 7.96 "Ki" "Displacement of [3H]flumazenil from rat GABA-A alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "Rattus norvegicus" +"diazepam" 852 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 6.27 "Ki" "Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP high binding affinity site expressed in Escherichia coli BL21 by competitive fluorescence displacement assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "Rattus norvegicus" +"diazepam" 852 "Gamma-aminobutyric acid receptor subunit alpha-5" "Ion channel" "P19969" "Gabra5" "GBRA5_RAT" 8.01 "Ki" "Displacement of [3H]flumazenil from rat GABA-A alpha-5-beta-3-gamma-2 receptor expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "Rattus norvegicus" +"diazepam" 852 "GABA-A receptor; anion channel" "Ion channel" "P08219|P08220|P10063|P10064|P20237|P22300" "GABRA1|GABRA2|GABRA3|GABRA4|GABRB1|GABRG2" "GBRA1_BOVIN|GBRA2_BOVIN|GBRA3_BOVIN|GBRA4_BOVIN|GBRB1_BOVIN|GBRG2_BOVIN" 8 "Ki" "Displacement of [3H]Ro-151788 from GABA-A benzodiazepine receptor of bovine brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "Bos taurus" +"diazepam" 852 "GABA A receptor alpha-3/beta-2/gamma-2" "Ion channel" "P18508|P20236|P63138" "Gabra3|Gabrb2|Gabrg2" "GBRA3_RAT|GBRB2_RAT|GBRG2_RAT" 7.86 "Ki" "Displacement of [3H]Ro-151788 from rat GABA-A receptor alpha-3-beta-2-gamma-2 subunits expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "Rattus norvegicus" +"diazepam" 852 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 4.89 "Ki" "Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) assessed as inhibition of ATCh hydrolysis by Ellman method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "Electrophorus electricus" +"diazepam" 852 "GABA A receptor alpha-5/beta-3/gamma-2" "Ion channel" "P18508|P19969|P63079" "Gabra5|Gabrb3|Gabrg2" "GBRA5_RAT|GBRB3_RAT|GBRG2_RAT" 7.96 "Ki" "Binding affinity for recombinant rat GABA-A receptor alpha-5-beta-3-gamma-2 subunits expressed in HEK 293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "Rattus norvegicus" +"diazepam" 852 "GABA A receptor alpha-6/beta-2/gamma-2" "Ion channel" "P18508|P30191|P63138" "Gabra6|Gabrb2|Gabrg2" "GBRA6_RAT|GBRB2_RAT|GBRG2_RAT" 8.68 "Ki" "Binding affinity for mutant rat GABA-A receptor alpha-6-(his,thr,gly,val)beta2gamma2 subunits expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "Rattus norvegicus" +"diazepam" 852 "Translocator protein" "Membrane receptor" "P16257" "Tspo" "TSPO_RAT" 6.67 "Kd" "Binding affinity constant for peripheral (mitochondrial) Benzodiazepine receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "Rattus norvegicus" +"diazepam" 852 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 7.37 "Ki" "Inhibition of Equus caballus (horse) serum butyrylcholinesterase (BChE) assessed as inhibition of BTCh hydrolysis by Ellman method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "Equus caballus" +"diazepam" 852 "GABA-A receptor; anion channel" "Ion channel" "O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14" "Gabra1|Gabra2|Gabra3|Gabra4|Gabra5|Gabra6|Gabrb1|Gabrb2|Gabrb3|Gabrd|Gabre|Gabrg1|Gabrg2|Gabrg3|Gabrp|Gabrq" "GBRA1_RAT|GBRA2_RAT|GBRA3_RAT|GBRA4_RAT|GBRA5_RAT|GBRA6_RAT|GBRB1_RAT|GBRB2_RAT|GBRB3_RAT|GBRD_RAT|GBRE_RAT|GBRG1_RAT|GBRG2_RAT|GBRG3_RAT|GBRP_RAT|Q91ZM7_RAT" 8.54 "Ki" "In vitro binding affinity against benzodiazepine receptor using [3H]diazepam as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "Rattus norvegicus" +"diazepam" 852 "GABA-A receptor; anion channel" "Ion channel" "A2AMW3|P16305|P22723|P22933|P26048|P26049|P27681|P50571|P62812|P63080|Q8BHJ7|Q8QZW7|Q9D6F4|Q9JLF1|Q9R0Y8" "Gabra1|Gabra2|Gabra3|Gabra4|Gabra5|Gabra6|Gabrb1|Gabrb3|Gabrd|Gabre|Gabrg1|Gabrg2|Gabrg3|Gabrp|Gabrq" "A2AMW3_MOUSE|GBRA1_MOUSE|GBRA2_MOUSE|GBRA3_MOUSE|GBRA4_MOUSE|GBRA5_MOUSE|GBRA6_MOUSE|GBRB1_MOUSE|GBRB3_MOUSE|GBRD_MOUSE|GBRG1_MOUSE|GBRG2_MOUSE|GBRG3_MOUSE|GBRP_MOUSE|GBRT_MOUSE" 4.07 "Ki" "Binding affinity for umolar GABA-A central benzodiazepine receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "Mus musculus" +"diazepam" 852 "GABA A receptor alpha-2/beta-2/gamma-2" "Ion channel" "P18508|P23576|P63138" "Gabra2|Gabrb2|Gabrg2" "GBRA2_RAT|GBRB2_RAT|GBRG2_RAT" 7.7 "Ki" "Binding affinity for recombinant rat GABA-A receptor alpha-2-beta-2-gamma-2 subunits expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "Rattus norvegicus" +"diazepam" 852 "GABA A receptor alpha-3/beta-2/gamma-3" "Ion channel" "P34903|P47870|Q99928" "GABRA3|GABRB2|GABRG3" "GBRA3_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" 6.6655 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"diazepam" 852 "GABA-A receptor alpha-1/beta-2/gamma-3" "Ion channel" "P14867|P47870|Q99928" "GABRA1|GABRB2|GABRG3" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" 6.7055 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"diazepam" 852 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 4.42 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"diazepam" 852 "GABA-A receptor alpha-3/beta-3/gamma-2" "Ion channel" "P18507|P28472|P34903" "GABRA3|GABRB3|GABRG2" "GBRA3_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 7.65 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"diazepam" 852 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 7.1427 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"diazepam" 852 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRB3|GABRG2" "GBRA1_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 7.8539 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"diazepam" 852 "GABA-A receptor alpha-2/beta-3/gamma-2" "Ion channel" "P18507|P28472|P47869" "GABRA2|GABRB3|GABRG2" "GBRA2_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 7.699 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"diazepam" 852 "GABA A receptor alpha-3/beta-2/gamma-2" "Ion channel" "P18507|P34903|P47870" "GABRA3|GABRB2|GABRG2" "GBRA3_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 7.9393 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"diazepam" 852 "GABA-A receptor alpha-5/beta-3/gamma-2" "Ion channel" "P18507|P28472|P31644" "GABRA5|GABRB3|GABRG2" "GBRA5_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 7.9586 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"diazepam" 852 "GABA A receptor alpha-5/beta-2/gamma-2" "Ion channel" "P18507|P31644|P47870" "GABRA5|GABRB2|GABRG2" "GBRA5_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 8.0044 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"diazepam" 852 "GABA A receptor alpha-5/beta-2/gamma-3" "Ion channel" "P31644|P47870|Q99928" "GABRA5|GABRB2|GABRG3" "GBRA5_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" 7.2034 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"diazepam" 852 "GABA A receptor alpha-5/beta-3/gamma-3" "Ion channel" "P28472|P31644|Q99928" "GABRA5|GABRB3|GABRG3" "GBRA5_HUMAN|GBRB3_HUMAN|GBRG3_HUMAN" 7.2034 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"diazepam" 852 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 4.1 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3364" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"diazepam" 852 "Gamma-aminobutyric acid receptor subunit alpha-5" "Ion channel" "P31644" "GABRA5" "GBRA5_HUMAN" 7.6399998664856 "Kd" "Binding affinity to GABAA alpha-5-beta-2-gamma-2 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "Tclin" "Homo sapiens" +"diazepam" 852 "Thyrotropin-releasing hormone receptor" "GPCR" "Q01717" "Trhr" "TRFR_RAT" 5.15 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3364" "ANTAGONIST" "Rattus norvegicus" +"diazoxide" 854 "Nicotinamide phosphoribosyltransferase" "Enzyme" "P43490" "NAMPT" "NAMPT_HUMAN" 3.64 "Kd" "Binding affinity to NAMPT (2 to 491) (unknown origin) by surface plasmon resonance analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL181" "Tchem" "Homo sapiens" +"diazoxide" 854 "Sulfonylurea receptor 1, Kir6.2" "Ion channel" "Q09428|Q14654" "ABCC8|KCNJ11" "ABCC8_HUMAN|KCJ11_HUMAN" 4.63000011444092 "EC50" "Activation of human recombinant SUR1/Kir6.2 channel expressed in HEK293 cells assessed as increase in ionic current by whole cell patch clamp assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL181" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL181" "OPENER" "Tclin|Tclin" "Homo sapiens" +"diazoxide" 854 "ATP-sensitive inward rectifier potassium channel 11" "Unclassified" "Q61743" "Kcnj11" "KCJ11_MOUSE" 4.2 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2409" "ACTIVATOR" "Mus musculus" +"dibekacin" 855 "Macrolide 2'-phosphotransferase II; Macrolide 2'-phosphotransferase II protein MphB; Macrolide 2-phosphotransferase, mph(B)" "Enzyme" "O32553" "mphB" "O32553_ECOLX" 5.9208 "Km" "WOMBAT-PK" "=" "Escherichia coli" +"cinchocaine" 859 "Sodium channel protein type 10 subunit alpha" "Ion channel" "Q9Y5Y9" "SCN10A" "SCNAA_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00527" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1086" "BLOCKER" "Tclin" "Homo sapiens" +"cinchocaine" 859 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00527" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1086" "BLOCKER" "Tclin" "Homo sapiens" +"cinchocaine" 859 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.85 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1086" "Tclin|Tclin|Tclin" "Homo sapiens" +"phenazone" 861 "Transient receptor potential cation channel subfamily A member 1" "Ion channel" "O75762" "TRPA1" "TRPA1_HUMAN" 3.08092188835144 "IC50" "inhibition of calcium response evoked by the TRPA1 agonist AITC (10uM) in IMR90" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/25765567" "http://www.ncbi.nlm.nih.gov/pubmed/25765567" "BLOCKER" "Tclin" "Homo sapiens" +"dichloroacetic acid" 862 "[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial" "Kinase" "Q15118" "PDK1" "PDK1_HUMAN" 3 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/9405293" "INHIBITOR" "Tchem" "Homo sapiens" +"dichloroacetic acid" 862 "[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial" "Kinase" "Q15119" "PDK2" "PDK2_HUMAN" 3.698970079422 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/9405293" "INHIBITOR" "Tbio" "Homo sapiens" +"dichloroacetic acid" 862 "[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial" "Kinase" "Q15120" "PDK3" "PDK3_HUMAN" 2.09690999984741 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/9405293" "INHIBITOR" "Tbio" "Homo sapiens" +"dichloroacetic acid" 862 "[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial" "Kinase" "Q16654" "PDK4" "PDK4_HUMAN" 3.301029920578 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/9405293" "INHIBITOR" "Tbio" "Homo sapiens" +"dichlorophen" 863 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P14902" "IDO1" "I23O1_HUMAN" 4.15 "IC50" "Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL33845" "Tchem" "Homo sapiens" +"dichlorphenamide" 864 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 7.5768 "Ki" "WOMBAT-PK" "=" "INHIBITOR" "Tclin" "Homo sapiens" +"dichlorphenamide" 864 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 7.6778 "Ki" "WOMBAT-PK" "=" "INHIBITOR" "Tclin" "Homo sapiens" +"dichlorphenamide" 864 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 7.301 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17" "INHIBITOR" "Tclin" "Homo sapiens" +"dichlorphenamide" 864 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 7.301 "Ki" "WOMBAT-PK" "=" "INHIBITOR" "Tclin" "Homo sapiens" +"dichlorphenamide" 864 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 8.301 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17" "INHIBITOR" "Tclin" "Homo sapiens" +"dichlorphenamide" 864 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 7.4202 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17" "INHIBITOR" "Tclin" "Homo sapiens" +"dichlorphenamide" 864 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 7.64 "Ki" "Inhibitory activity against murine carbonic anhydrase XIII (mCA XIII) by using CO2 hydrase assay method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17" "Mus musculus" +"dichlorphenamide" 864 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 7.02 "Ki" "Inhibition of human full length carbonic anhydrase 4 by stopped flow CO2 hydrase assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17" "INHIBITOR" "Tclin" "Homo sapiens" +"dichlorphenamide" 864 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 7.64 "Ki" "Inhibition of human recombinant cytosolic carbonic anhydrase 13 preincubated for 15 mins by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17" "Tclin" "Homo sapiens" +"dichlorphenamide" 864 "Alpha carbonic anhydrase" "Unclassified" "B5SU02" "CA" "B5SU02_9CNID" 6.37 "Ki" "Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17" "Stylophora pistillata" +"dichlorphenamide" 864 "Astrosclerin-3" "Unclassified" "A6YCJ1" "A6YCJ1_9METZ" 7.21 "Ki" "Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17" "Astrosclera willeyana" +"dichlorphenamide" 864 "Beta-carbonic anhydrase 1" "Enzyme" "P9WPJ7" "mtcA1" "MTCA1_MYCTU" 6.06 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase 1 encoded by Rv1284 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"dichlorphenamide" 864 "Carbonic anhydrase" "Unclassified" "C0IX24" "CA2" "C0IX24_9CNID" 7.1 "Ki" "Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17" "Stylophora pistillata" +"dichlorphenamide" 864 "Delta carbonic anhydrase" "Unclassified" "Q5U9J1" "ca1" "Q5U9J1_THAWE" 6.34 "Ki" "Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17" "Thalassiosira weissflogii" +"dichlorphenamide" 864 "Carbonic anhydrase" "Enzyme" "P53615" "NCE103" "CAN_YEAST" 6.99 "Ki" "Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"dichlorphenamide" 864 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 6.46 "Ki" "Inhibitory constant against human carbonic anhydrase XIV in CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17" "Tclin" "Homo sapiens" +"dichlorphenamide" 864 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 7.02 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17" "Mus musculus" +"dichlorphenamide" 864 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 7.42 "Ki" "Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"dichlorphenamide" 864 "Carbonic anhydrase" "Enzyme" "P40881" "CAH_METTE" 6.82 "Ki" "Inhibitory activity against alpha carbonic anhydrase (Co-Cam) from Methanosarcina thermophila" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17" "Methanosarcina thermophila" +"dichlorphenamide" 864 "Carbonic anhydrase 2" "Enzyme" "P9WPJ9" "mtcA2" "MTCA2_MYCTU" 5.7 "Ki" "Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"dichlorphenamide" 864 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 7.1 "Ki" "Inhibition of full length human recombinant CA VI" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17" "Tclin" "Homo sapiens" +"dichlorphenamide" 864 "Carbonic anhydrase 4" "Enzyme" "Q95323" "CA4" "CAH4_BOVIN" 6.42 "Ki" "Inhibitory activity against bovine carbonic anhydrase IV from lung microsomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17" "Bos taurus" +"dichlorphenamide" 864 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 6.2007 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"dichlorphenamide" 864 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.6021 "EC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"dichlorphenamide" 864 "Carbonic anhydrase" "Enzyme" "O24855" "cynT" "CYNT_HELPY" 6.4225 "Ki" "WOMBAT-PK" "=" "Helicobacter pylori (strain ATCC 700392 / 26695)" +"dichlorphenamide" 864 "Carbonic anhydrase 2" "Unclassified" "Q3I4V7" "CAN2" "Q3I4V7_CRYNV" 5.92 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17" "Cryptococcus neoformans var. grubii" +"dichlorphenamide" 864 "Carbonic anhydrase" "Unclassified" "Q5TU56" "Q5TU56_ANOGA" 6.2 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17" "Anopheles gambiae" +"dichlorphenamide" 864 "Carbonic anhydrase" "Enzyme" "Q6FTL6" "Q6FTL6_CANGA" 6.95 "Ki" "Inhibition of recombinant full length Candida glabrata NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17" "Candida glabrata (strain ATCC 2001 / CBS 138 / JCM 3761 / NBRC 0622 / NRRL Y-65)" +"diclofenac" 865 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 6.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2714" "ANTAGONIST" "Tclin" "Homo sapiens" +"diclofenac" 865 "Aldo-keto reductase family 1 member C3" "Enzyme" "P42330" "AKR1C3" "AK1C3_HUMAN" 5.59 "IC50" "Inhibition of recombinant human AKR1C3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL139" "Tchem" "Homo sapiens" +"diclofenac" 865 "UDP-glucuronosyltransferase 1-10" "Enzyme" "Q9HAW8" "UGT1A10" "UD110_HUMAN" 4.55 "Ki" "Inhibition of 4-methylumbelliferone glucuronidation by human recombinant UGT1A10" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL139" "Tbio" "Homo sapiens" +"diclofenac" 865 "Interleukin-8" "Cytokine" "P10145" "CXCL8" "IL8_HUMAN" 8.1 "IC50" "Inhibition of CXCL8-induced chemotaxis in human polymorphonuclear leukocyte pretreated for 15 mins measured after 4 hrs by cell migration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL139" "Tchem" "Homo sapiens" +"diclofenac" 865 "UDP-glucuronosyltransferase 1-6" "Enzyme" "P19224" "UGT1A6" "UD16_HUMAN" 4.64 "Ki" "Inhibition of 4-methylumbelliferone glucuronidation by human recombinant UGT1A6" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL139" "Tbio" "Homo sapiens" +"diclofenac" 865 "UDP-glucuronosyltransferase 1-7" "Enzyme" "Q9HAW7" "UGT1A7" "UD17_HUMAN" 4.72 "Ki" "Inhibition of 4-methylumbelliferone glucuronidation by human recombinant UGT1A7" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL139" "Tbio" "Homo sapiens" +"diclofenac" 865 "Prostaglandin G/H synthase 2" "Enzyme" "Q05769" "Ptgs2" "PGH2_MOUSE" 7.66 "IC50" "Inhibition of mouse COX2 for 17 mins pre-incubated before addition of [1-14C]arachidonic acid" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL139" "Mus musculus" +"diclofenac" 865 "UDP-glucuronosyltransferase 1-9" "Enzyme" "O60656" "UGT1A9" "UD19_HUMAN" 4.96 "Ki" "Inhibition of 4-methylumbelliferone glucuronidation by human recombinant UGT1A9" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL139" "Tbio" "Homo sapiens" +"diclofenac" 865 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 5.49 "Ki" "Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP high binding affinity site expressed in Escherichia coli BL21 by competitive fluorescence displacement assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL139" "Rattus norvegicus" +"diclofenac" 865 "Prostaglandin G/H synthase 1" "Enzyme" "O62664" "PTGS1" "PGH1_BOVIN" 8.52 "IC50" "Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL139" "Bos taurus" +"diclofenac" 865 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 7.22 "IC50" "Inhibition of sheep placental cotyledons COX2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL139" "Ovis aries" +"diclofenac" 865 "C-X-C chemokine receptor type 1" "GPCR" "P25024" "CXCR1" "CXCR1_HUMAN" 7.92 "IC50" "Inhibition of wild type CXCR1 transfected in mouse L1.2 cells assessed as inhibition of CXCL8-induced cell migration pretreated for 15 mins measured after 4 hrs" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL139" "Tchem" "Homo sapiens" +"diclofenac" 865 "UDP-glucuronosyltransferase 1-1" "Enzyme" "P22309" "UGT1A1" "UD11_HUMAN" 4.28 "Ki" "Inhibition of 4-methylumbelliferone glucuronidation by human recombinant UGT1A1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL139" "Tbio" "Homo sapiens" +"diclofenac" 865 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 7.17 "IC50" "Inhibition of ovine COX1 for 17 mins pre-incubated before addition of [1-14C]arachidonic acid" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL139" "Ovis aries" +"diclofenac" 865 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 7.52 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL139" "INHIBITOR" "Tclin" "Homo sapiens" +"diclofenac" 865 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 7.7 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL139" "INHIBITOR" "Tclin" "Homo sapiens" +"diclofenac" 865 "Acid-sensing ion channel 3" "Ion channel" "Q9UHC3" "ASIC3" "ASIC3_HUMAN" 4 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2714" "BLOCKER" "Tchem" "Homo sapiens" +"diclofenac" 865 "Aldo-keto reductase family 1 member B10" "Enzyme" "O60218" "AKR1B10" "AK1BA_HUMAN" 5.71999979019165 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL139" "Tchem" "Homo sapiens" +"diclofenac" 865 "Transthyretin" "Secreted" "P02766" "TTR" "TTHY_HUMAN" 6 "Kd" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL139" "Tclin" "Homo sapiens" +"dicloxacillin" 866 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" +"dicloxacillin" 866 "cGMP-dependent 3',5'-cyclic phosphodiesterase" "Enzyme" "O00408" "PDE2A" "PDE2A_HUMAN" 4.42 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"dicloxacillin" 866 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.66 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"dicloxacillin" 866 "Streptokinase A" "Enzyme" "P10520" "ska" "STRP_STRP1" 7.22 "EC50" "WOMBAT-PK" "=" "Streptococcus pyogenes serotype M1" +"dicloxacillin" 866 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.96 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"dicloxacillin" 866 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.6 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"dicloxacillin" 866 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 4.8 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"dicloxacillin" 866 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 4.11 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"dicloxacillin" 866 "Penicillin-binding protein" "Enzyme" "P72355|Q53707|Q53725|Q53729|Q9XDB3" "PBP2|mecA|pbp4|pbpA|pbpF" "P72355_STAAU|Q53707_STAAU|Q53725_STAAU|Q53729_STAAU|Q9XDB3_STAAU" "Mechanism of Action; CHEMBL2362972; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL893" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL893" "INHIBITOR" "Staphylococcus aureus" +"dicloxacillin" 866 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 4.15999984741211 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL893" "Tchem" "Homo sapiens" +"dicoumarol" 867 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 5.387958255 "IC50" "DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde)" "DRUG MATRIX" "=" "Rattus norvegicus" +"dicoumarol" 867 "Mitogen-activated protein kinase 1" "Kinase" "P28482" "MAPK1" "MK01_HUMAN" 5.35398859 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"dicoumarol" 867 "NAD(P)H dehydrogenase [quinone] 1" "Enzyme" "P15559" "NQO1" "NQO1_HUMAN" 8 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"dicoumarol" 867 "Urease" "Enzyme" "P07374" "UREA_CANEN" 4.82 "IC50" "Inhibition of jack bean urease" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1466" "Canavalia ensiformis" +"dicoumarol" 867 "Enoyl-[acyl-carrier-protein] reductase [NADH]" "Enzyme" "Q5NGQ3" "fabI" "Q5NGQ3_FRATT" 4.33 "IC50" "Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed as oxidation of NADH to NAD+ by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1466" "Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)" +"dicoumarol" 867 "G-protein coupled receptor 35" "GPCR" "Q9HC97" "GPR35" "GPR35_HUMAN" 7.41 "Ki" "Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1466" "Tchem" "Homo sapiens" +"dicoumarol" 867 "Proprotein convertase subtilisin/kexin type 7" "Enzyme" "Q16549" "PCSK7" "PCSK7_HUMAN" 5.89 "IC50" "Inhibition of recombinant type 8 subtilisin using Arg-Glu-(EDANS)- Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys-(DALBCYL)-Arg fluorogenic substrate preincubated for 1 hr measured after 1 hr at 1 min interval by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1466" "Tchem" "Homo sapiens" +"dicoumarol" 867 "ATP phosphoribosyltransferase" "Unclassified" "P9WMN1" "hisG" "HIS1_MYCTU" 4.22 "Ki" "Inhibition of Mycobacterium tuberculosis HisG assessed as phosphoribosyl ATP production by spectrophotometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1466" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"dicoumarol" 867 "Vitamin K epoxide reductase complex subunit 1" "Enzyme" "Q9BQB6" "VKORC1" "VKOR1_HUMAN" 5.50863838195801 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "CHEMBL" "http://www.ncbi.nlm.nih.gov/pubmed/17275317" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1466" "INHIBITOR" "Tclin" "Homo sapiens" +"dicoumarol" 867 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.9715 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"dicycloverine" 868 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=355" "ANTAGONIST" "Tclin" "Homo sapiens" +"dicycloverine" 868 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 8.68613278 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dicycloverine" 868 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.772892641 "Ki" "DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dicycloverine" 868 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.161150909 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dicycloverine" 868 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.081969663 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dicycloverine" 868 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.610833916 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dicycloverine" 868 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.8467951 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"dicycloverine" 868 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.386158178 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dicycloverine" 868 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.796423225 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dicycloverine" 868 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 9.078833949 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1123" "ANTAGONIST" "Tclin" "Homo sapiens" +"dicycloverine" 868 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 9.032920266 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1123" "ANTAGONIST" "Tclin" "Homo sapiens" +"dicycloverine" 868 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 9.386158178 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dicycloverine" 868 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 8.76700389 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dicycloverine" 868 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.326979093 "IC50" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"dicycloverine" 868 "SMR1-alpha2" "Unclassified" "P70676" "Vcsa2" "P70676_RAT" 6.537602002 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"dicycloverine" 868 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.55 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1123" "Tclin|Tclin|Tclin" "Homo sapiens" +"dicycloverine" 868 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 8.61 "Ki" "Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 in rat cortex homogenates" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1123" "Rattus norvegicus" +"dicycloverine" 868 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 7.33 "Ki" "Displacement of [3H](-)-quinuclidinyl benzilate(QNB) from muscarinic (M2) receptor in rat heart homogenates" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1123" "Rattus norvegicus" +"didanosine" 869 "Reverse transcriptase/RNaseH" "Enzyme" "Q72549" "pol" "Q72549_9HIV1" 5.21 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1460" "INHIBITOR" "Human immunodeficiency virus 1" +"dienestrol" 870 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 4.88 "EC50" "PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Potentiators Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays: 639 (Primary screen preceding this dose response confirmation assay.)]" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1018" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1018" "AGONIST" "Tclin" "Homo sapiens" +"dienogest" 871 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/022252s004lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"diethazine" 872 "Pleiotropic ABC efflux transporter of multiple drugs" "Transporter" "P33302" "PDR5" "PDR5_YEAST" 4.99 "IC50" "Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1620412" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"diethylcarbamazine" 873 "Nematode GABA-A receptor" "Ion channel" "E1FVX6|E1G1C3" "E1FVX6_LOALO|E1G1C3_LOALO" "Mechanism of Action; CHEMBL2364676; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL684" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL684" "POSITIVE MODULATOR" "Loa loa" +"diethylcarbamazine" 873 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"diethylcarbamazine" 873 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"diethylpropion" 874 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" "Mechanism of Action; CHEMBL238; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1693" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1693" "INHIBITOR" "Tclin" "Homo sapiens" +"diethylpropion" 874 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" "Mechanism of Action; CHEMBL222; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1693" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1693" "INHIBITOR" "Tclin" "Homo sapiens" +"diethylstilbestrol" 875 "Steroid hormone receptor ERR2" "Nuclear hormone receptor" "O95718" "ESRRB" "ERR2_HUMAN" 5.3 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2801" "ANTAGONIST" "Tchem" "Homo sapiens" +"diethylstilbestrol" 875 "Estrogen-related receptor gamma" "Nuclear hormone receptor" "P62508" "ESRRG" "ERR3_HUMAN" 5.3 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2801" "ANTAGONIST" "Tchem" "Homo sapiens" +"diethylstilbestrol" 875 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 4.894319537 "Ki" "DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diethylstilbestrol" 875 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.251811973 "IC50" "DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diethylstilbestrol" 875 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.629857153 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diethylstilbestrol" 875 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.410944469 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diethylstilbestrol" 875 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.35261703 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diethylstilbestrol" 875 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 5.295849483 "Ki" "DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diethylstilbestrol" 875 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.275970027 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diethylstilbestrol" 875 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.178028182 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diethylstilbestrol" 875 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.438898616 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diethylstilbestrol" 875 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.863596552 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diethylstilbestrol" 875 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.699404516 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diethylstilbestrol" 875 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 4.574808264 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diethylstilbestrol" 875 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.222863287 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"diethylstilbestrol" 875 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.272458743 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diethylstilbestrol" 875 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.524764777 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diethylstilbestrol" 875 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.437231457 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diethylstilbestrol" 875 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.408156589 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diethylstilbestrol" 875 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 5.317133204 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diethylstilbestrol" 875 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 5.657379957 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diethylstilbestrol" 875 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.07007044 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diethylstilbestrol" 875 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 5.778325003 "Ki" "DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diethylstilbestrol" 875 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.903785415 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"diethylstilbestrol" 875 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.274006741 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diethylstilbestrol" 875 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.738737131 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diethylstilbestrol" 875 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 6.018634491 "Ki" "DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diethylstilbestrol" 875 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 4.592609096 "IC50" "DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diethylstilbestrol" 875 "Vasopressin V1a receptor" "GPCR" "P37288" "AVPR1A" "V1AR_HUMAN" 4.982924904 "Ki" "DRUGMATRIX: Vasopressin V1A radioligand binding (ligand: [125I] PhenylacetylTyr(Me)PheGlnAsnArgProArgTyr)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diethylstilbestrol" 875 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 4.846703551 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diethylstilbestrol" 875 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.360613131 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"diethylstilbestrol" 875 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 4.482764503 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"diethylstilbestrol" 875 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.497026941 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"diethylstilbestrol" 875 "Sodium/nucleoside cotransporter 1" "Transporter" "O00337" "SLC28A1" "S28A1_HUMAN" 5.315783205 "Ki" "DRUGMATRIX: Sodium/nucleoside co-transporter radioligand binding (ligand: nitrobenzylthioinosine)" "DRUG MATRIX" "=" "Tbio" "Homo sapiens" +"diethylstilbestrol" 875 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.528268349 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" +"diethylstilbestrol" 875 "Cysteinyl leukotriene receptor 1" "GPCR" "Q2NNR5" "CYSLTR1" "CLTR1_CAVPO" 5.051978467 "Ki" "DRUGMATRIX: Cysteinyl leukotriene receptor 1 radioligand binding (ligand: [3H]LTD4)" "DRUG MATRIX" "=" "Cavia porcellus" +"diethylstilbestrol" 875 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 6.21395879 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"diethylstilbestrol" 875 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 9.66 "Ki" "Displacement of [3H]Estradiol from human recombinant estrogen receptor alpha expressed in Sf9 cells after 2 hrs" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL411" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL411" "AGONIST" "Tclin" "Homo sapiens" +"diethylstilbestrol" 875 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 4.85 "IC50" "Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL411" "Rattus norvegicus" +"diethylstilbestrol" 875 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 9.2 "Ki" "In vitro displacement of 0.5 nM [3H]17-beta-estradiol from human Estrogen receptor beta" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL411" "Tclin" "Homo sapiens" +"diethylstilbestrol" 875 "UDP-glucose 4-epimerase" "Enzyme" "Q14376" "GALE" "GALE_HUMAN" 4.12 "IC50" "Inhibition of human GalE by HPAEC assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL411" "Tchem" "Homo sapiens" +"diethylstilbestrol" 875 "Cysteinyl leukotriene receptor 1" "GPCR" "Q9Y271" "CYSLTR1" "CLTR1_HUMAN" 5.05000019073486 "Ki" "DRUGMATRIX: Cysteinyl leukotriene receptor 1 radioligand binding (ligand: [3H]LTD4)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL411" "Tclin" "Homo sapiens" +"diethylstilbestrol" 875 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" 4.84 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL411" "Tchem" "Homo sapiens" +"diethylstilbestrol" 875 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 4.71 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL411" "Rattus norvegicus" +"diethylstilbestrol" 875 "Steroid hormone receptor ERR1" "Nuclear hormone receptor" "O08580" "Esrra" "ERR1_MOUSE" 5.3 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2801" "ANTAGONIST" "Mus musculus" +"difenoxin" 878 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" "Mechanism of Action; CHEMBL233; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200599" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200599" "AGONIST" "Tclin" "Homo sapiens" +"diflunisal" 880 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.03 "Ki" "Inhibition of human carbonic anhydrase 2 esterase activity by non-competitive Lineweaver-Burke plot" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL898" "Tclin" "Homo sapiens" +"diflunisal" 880 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5.07 "Ki" "Inhibition of human carbonic anhydrase 1 esterase activity by noncompetitive Lineweaver-Burke plot" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL898" "Tclin" "Homo sapiens" +"diflunisal" 880 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 4.4 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL898" "INHIBITOR" "Tclin" "Homo sapiens" +"diflunisal" 880 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 5.09 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL898" "INHIBITOR" "Tclin" "Homo sapiens" +"diflunisal" 880 "Transthyretin" "Secreted" "P02766" "TTR" "TTHY_HUMAN" 7.125 "Kd1" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"digitoxin" 881 "Sodium/potassium-transporting ATPase subunit alpha-2" "Ion channel" "D2WKD8" "ATP1A2" "AT1A2_PIG" 6.647817482 "IC50" "DRUGMATRIX: ATPase, Na+/K+ enzyme inhibition (substrate: ATP)" "DRUG MATRIX" "=" "Sus scrofa" +"digitoxin" 881 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.857 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"digitoxin" 881 "Sodium/potassium-transporting ATPase subunit alpha-1" "Transporter" "P05023" "ATP1A1" "AT1A1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL254219" "INHIBITOR" "Tclin" "Homo sapiens" +"digitoxin" 881 "Sodium/potassium-transporting ATPase subunit alpha-1" "Transporter" "P50997" "ATP1A1" "AT1A1_CANFA" 8.1 "IC50" "Inhibition of [3H]ouabain binding to Digitalis receptor in dog heart microsomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL254219" "Canis familiaris" +"digitoxin" 881 "Sodium/potassium-transporting ATPase" "Transporter" "P05023|P05026|P13637|P14415|P50993|P54709|P54710|Q13733" "ATP1A1|ATP1A2|ATP1A3|ATP1A4|ATP1B1|ATP1B2|ATP1B3|FXYD2" "AT1A1_HUMAN|AT1A2_HUMAN|AT1A3_HUMAN|AT1A4_HUMAN|AT1B1_HUMAN|AT1B2_HUMAN|AT1B3_HUMAN|ATNG_HUMAN" 8.10000038146973 "IC50" "Inhibition of [3H]- ouabain binding to digitalis receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL254219" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"digitoxin" 881 "Signal transducer and activator of transcription 3" "Transcription factor" "P40763" "STAT3" "STAT3_HUMAN" 6.15000009536743 "IC50" "PUBCHEM_BIOASSAY: Dose response cell-based assay to measure STAT3 inhibition. (Class of assay: confirmatory) [Related pubchem assays: 920, 1317, 1265, 1308, 862 ]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL254219" "Tchem" "Homo sapiens" +"digoxin" 882 "Sodium/potassium-transporting ATPase subunit alpha-2" "Ion channel" "D2WKD8" "ATP1A2" "AT1A2_PIG" 5.783306401 "IC50" "DRUGMATRIX: ATPase, Na+/K+ enzyme inhibition (substrate: ATP)" "DRUG MATRIX" "=" "Sus scrofa" +"digoxin" 882 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.1361 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"digoxin" 882 "Sodium/potassium-transporting ATPase subunit alpha-1" "Transporter" "P50997" "ATP1A1" "AT1A1_CANFA" 6.3 "IC50" "Inhibition of Na+/K+ ATPase from dog kidney" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1751" "Canis familiaris" +"digoxin" 882 "Nuclear receptor ROR-gamma" "Nuclear hormone receptor" "P51449" "RORC" "RORG_HUMAN" 5.7 "IC50" "Antagonist activity at transactivation domain of RORgammat (unknown origin) expressed in Drosophila Schneider cells co-expressing Gal4-DNA binding domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1751" "Tchem" "Homo sapiens" +"digoxin" 882 "Nuclear receptor ROR-gamma" "Unclassified" "P51450" "Rorc" "RORG_MOUSE" 5.7 "IC50" "Inhibition of mouse Gal4 DNA binding domain-fused ROR gamma expressed in Drosophila S2 cells assessed as inhibition of transcriptional activity by luciferase reporter assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1751" "Mus musculus" +"digoxin" 882 "Sodium/potassium-transporting ATPase" "Transporter" "P05023|P05026|P13637|P14415|P50993|P54709|P54710|Q13733" "ATP1A1|ATP1A2|ATP1A3|ATP1A4|ATP1B1|ATP1B2|ATP1B3|FXYD2" "AT1A1_HUMAN|AT1A2_HUMAN|AT1A3_HUMAN|AT1A4_HUMAN|AT1B1_HUMAN|AT1B2_HUMAN|AT1B3_HUMAN|ATNG_HUMAN" 6.4 "IC50" "Inhibitory activity against Na+/K+ ATPase was determined" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1751" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1751" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"digoxin" 882 "Signal transducer and activator of transcription 3" "Transcription factor" "P40763" "STAT3" "STAT3_HUMAN" 5.73000001907349 "IC50" "PUBCHEM_BIOASSAY: Dose response cell-based assay to measure STAT3 inhibition. (Class of assay: confirmatory) [Related pubchem assays: 920, 1317, 1265, 1308, 862 ]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1751" "Tchem" "Homo sapiens" +"alpha-Ergocryptine" 885 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 6.00656377 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"alpha-Ergocryptine" 885 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.694648631 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"alpha-Ergocryptine" 885 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.187086643 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"alpha-Ergocryptine" 885 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 8.525783736 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"alpha-Ergocryptine" 885 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6.22184875 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"alpha-Ergocryptine" 885 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.823908741 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"alpha-Ergocryptine" 885 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.853871964 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"alpha-Ergocryptine" 885 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.085128182 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"alpha-Ergocryptine" 885 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.113509275 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"alpha-Ergocryptine" 885 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 8.121478204 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"alpha-Ergocryptine" 885 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.920818754 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"alpha-Ergocryptine" 885 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.698970004 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"alpha-Ergocryptine" 885 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.727694156 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"alpha-Ergocryptine" 885 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 8.261219442 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"alpha-Ergocryptine" 885 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.368556231 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"alpha-Ergocryptine" 885 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.22184875 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"alpha-Ergocryptine" 885 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.100179498 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"alpha-Ergocryptine" 885 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 8.299296283 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"alpha-Ergocryptine" 885 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 8.58 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1403281" "Rattus norvegicus" +"alpha-Ergocryptine" 885 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.96 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1403281" "Rattus norvegicus" +"dihydrocodeine" 886 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" "Mechanism of Action; CHEMBL233; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1595" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1595" "AGONIST" "Tclin" "Homo sapiens" +"dihydroergocristine" 887 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 6.462180905 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dihydroergocristine" 887 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.229884705 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dihydroergocristine" 887 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.308918508 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dihydroergocristine" 887 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 9.126679398 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dihydroergocristine" 887 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.522878745 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dihydroergocristine" 887 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 9.385102784 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dihydroergocristine" 887 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.372634143 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dihydroergocristine" 887 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.37675071 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dihydroergocristine" 887 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.903089987 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dihydroergocristine" 887 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 8.442492798 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dihydroergocristine" 887 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.109578981 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dihydroergocristine" 887 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.605373236 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dihydroergocristine" 887 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 8.899629455 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dihydroergocristine" 887 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 9.183096161 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dihydroergocristine" 887 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.522878745 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"dihydroergocristine" 887 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 5.522878745 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"dihydroergocristine" 887 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 6.086716098 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808)" "DRUG MATRIX" "=" "Cavia porcellus" +"dihydroergocristine" 887 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.896196279 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"dihydroergocristine" 887 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 7.958607315 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"dihydroergocristine" 887 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"dihydroergocristine" 887 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"dihydroergocristine" 887 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"dihydroergocristine" 887 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 9.14 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601773" "Rattus norvegicus" +"dihydroergocristine" 887 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 8.79 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601773" "Rattus norvegicus" +"dihydroergocristine" 887 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 7.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=278" "ANTAGONIST" "Rattus norvegicus" +"dihydroergotamine" 888 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 8.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=121" "ANTAGONIST" "Rattus norvegicus" +"dihydroergotamine" 888 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 9.9 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=121" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1732" "AGONIST" "Tclin" "Homo sapiens" +"dihydroergotamine" 888 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 9.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=121" "AGONIST" "Tclin" "Homo sapiens" +"dihydroergotamine" 888 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 7.1 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=121" "AGONIST" "Tclin" "Homo sapiens" +"dihydroergotamine" 888 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=121" "ANTAGONIST" "Tclin" "Homo sapiens" +"dihydroergotamine" 888 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 5.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=121" "AGONIST" "Tchem" "Homo sapiens" +"dihydroergotamine" 888 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.92190585 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dihydroergotamine" 888 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.528708289 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dihydroergotamine" 888 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 9.412289035 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dihydroergotamine" 888 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.301029996 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dihydroergotamine" 888 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 9.42365865 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dihydroergotamine" 888 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.643974143 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dihydroergotamine" 888 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.363512104 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dihydroergotamine" 888 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.327902142 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dihydroergotamine" 888 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 8.752026734 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dihydroergotamine" 888 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.742321425 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dihydroergotamine" 888 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 8.821023053 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dihydroergotamine" 888 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.690369833 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dihydroergotamine" 888 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 6.804100348 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808)" "DRUG MATRIX" "=" "Cavia porcellus" +"dihydroergotamine" 888 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.348721986 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"dihydroergotamine" 888 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 9.415668776 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"dihydroergotamine" 888 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"dihydroergotamine" 888 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"dihydroergotamine" 888 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"dihydroergotamine" 888 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.3 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1732" "Tchem" "Homo sapiens" +"dihydroergotamine" 888 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 8.43 "IC50" "Inhibition of specific [3H]clonidine binding (0.4 nM) to rat brain membranes alpha-2 adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1732" "Rattus norvegicus" +"dihydroergotamine" 888 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 4.9 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1732" "Tchem" "Homo sapiens" +"dihydroergotamine" 888 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.55 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1732" "Tchem" "Homo sapiens" +"dihydroergotamine" 888 "Gastrin/cholecystokinin type B receptor" "GPCR" "P56481" "Cckbr" "GASR_MOUSE" 4.64 "IC50" "Concentration of compound required to inhibit binding of [125I]J-BH-CCK-8 radioligand to CCKB in mouse fore brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1732" "Mus musculus" +"dihydroergotamine" 888 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 9.18 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1732" "Rattus norvegicus" +"dihydroergotamine" 888 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 8.3 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1732" "Rattus norvegicus" +"dihydroergotamine" 888 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 6.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=121" "ANTAGONIST" "Rattus norvegicus" +"hydroquinidine" 889 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"hydroquinidine" 889 "Sodium channel subunit beta-4" "Ion channel" "Q8IWT1" "SCN4B" "SCN4B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"hydroquinidine" 889 "Sodium channel subunit beta-3" "Ion channel" "Q9NY72" "SCN3B" "SCN3B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"hydroquinidine" 889 "Sodium channel subunit beta-2" "Ion channel" "O60939" "SCN2B" "SCN2B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"hydroquinidine" 889 "Sodium channel subunit beta-1" "Ion channel" "Q07699" "SCN1B" "SCN1B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"hydroquinidine" 889 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"dilazep" 893 "Equilibrative nucleoside transporter 1" "Transporter" "Q99808" "SLC29A1" "S29A1_HUMAN" 9 "Ki" "GRAC: human ENT1 selective inhibitor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL126075" "Tclin" "Homo sapiens" +"dilazep" 893 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 6.22 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL126075" "Tclin|Tclin|Tclin" "Homo sapiens" +"dilazep" 893 "Equilibrative nucleoside transporter 2" "Unclassified" "O54699" "Slc29a2" "S29A2_RAT" 5.06 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL126075" "Rattus norvegicus" +"dilevalol" 894 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"dilevalol" 894 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"dilevalol" 894 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"dilevalol" 894 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"dilevalol" 894 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.53 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL27193" "Rattus norvegicus" +"diltiazem" 897 "5-hydroxytryptamine receptor 3A" "Ion channel" "P23979" "Htr3a" "5HT3A_MOUSE" 5.26 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2298" "BLOCKER" "Mus musculus" +"diltiazem" 897 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" 7.3188 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL23" "BLOCKER" "Tclin" "Homo sapiens" +"diltiazem" 897 "Voltage-dependent calcium channel gamma-1 subunit" "Ion channel" "Q06432" "CACNG1" "CCG1_HUMAN" 6.1 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"diltiazem" 897 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.73598542 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diltiazem" 897 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 4.0168 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"diltiazem" 897 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.619788758 "Ki" "PDSP" "Tclin" "Homo sapiens" +"diltiazem" 897 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "P15381" "CACNA1C" "CAC1C_RABIT" 4.52 "IC50" "Inhibition of [3H]nitrendipine binding to calcium channels in rabbit cardiac muscle" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL23" "Oryctolagus cuniculus" +"diltiazem" 897 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 4.37 "IC50" "Inhibition of P-glycoprotein expressed in A2780/ADR cells by calcein AM assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL23" "Tchem" "Homo sapiens" +"diltiazem" 897 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.91 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL23" "Tchem" "Homo sapiens" +"diltiazem" 897 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.76 "IC50" "Inhibition of human Potassium channel HERG expressed in mammalian cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL23" "Tclin" "Homo sapiens" +"diltiazem" 897 "Voltage-dependent L-type calcium channel subunit alpha-1S" "Ion channel" "Q13698" "CACNA1S" "CAC1S_HUMAN" 6.42 "Ki" "Displacement of [3H]diltiazem from L-type calcium channel of guinea pig striated muscle" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL23" "Tclin" "Homo sapiens" +"diltiazem" 897 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.35 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL23" "Tclin|Tclin|Tclin" "Homo sapiens" +"diltiazem" 897 "Voltage-gated L-type calcium channel" "Ion channel" "P22002|P27732|Q02485" "Cacna1c|Cacna1d|Cacna1s" "CAC1C_RAT|CAC1D_RAT|CAC1S_RAT" 7.8 "Ki" "Inhibitory constant against calcium channel receptors (CCRs)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL23" "Rattus norvegicus" +"diltiazem" 897 "Voltage-dependent L-type calcium channel subunit alpha-1D" "Ion channel" "P27732" "Cacna1d" "CAC1D_RAT" 7.34 "IC50" "Inhibition of [3H]nitrendipine binding to L-type [Ca2+] channel in rat cortex homogenate, activity expressed as pIC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL23" "Rattus norvegicus" +"diltiazem" 897 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "P22002" "Cacna1c" "CAC1C_RAT" 7.27 "IC50" "Ability to inhibit [3H]nitrendipine binding to the L-type calcium channel receptor(CCR) in rat heart homogenate." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL23" "Rattus norvegicus" +"diltiazem" 897 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 4.68 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2298" "BLOCKER" "Tclin" "Homo sapiens" +"diltiazem" 897 "Potassium voltage-gated channel subfamily C member 1" "Unclassified" "P15388" "Kcnc1" "KCNC1_MOUSE" 4 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2298" "BLOCKER" "Mus musculus" +"diltiazem" 897 "Potassium voltage-gated channel subfamily A member 7" "Unclassified" "Q17ST2" "Kcna7" "KCNA7_MOUSE" 4.2 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2298" "BLOCKER" "Mus musculus" +"diltiazem" 897 "Voltage-dependent L-type calcium channel subunit alpha-1F" "Unclassified" "Q9JIS7" "Cacna1f" "CAC1F_MOUSE" 4 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2298" "BLOCKER" "Mus musculus" +"dimenhydrinate" 901 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.79128998 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dimenhydrinate" 901 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.312471039 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dimenhydrinate" 901 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.694648631 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dimenhydrinate" 901 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.70333481 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dimenhydrinate" 901 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.959793372 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dimenhydrinate" 901 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.478861916 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dimenhydrinate" 901 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.603626272 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dimenhydrinate" 901 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.431798276 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200406" "ANTAGONIST" "Tclin" "Homo sapiens" +"dimenhydrinate" 901 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.962573502 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dimenhydrinate" 901 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.785156152 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dimenhydrinate" 901 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.022276395 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dimenhydrinate" 901 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.096910013 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dimenhydrinate" 901 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.643974143 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dimenhydrinate" 901 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.74860515 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dimenhydrinate" 901 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.82131076 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dimenhydrinate" 901 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.8467951 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dimetacrine" 902 "Apical membrane antigen 1" "Unclassified" "Q7KQK5" "AMA1" "Q7KQK5_PLAF7" 4.55 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1328913" "Plasmodium falciparum (isolate 3D7)" +"dimetindene" 903 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.35 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL22108" "Tclin" "Homo sapiens" +"dimetindene" 903 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.39 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL22108" "Tclin" "Homo sapiens" +"dimetindene" 903 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.1 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL22108" "Tclin" "Homo sapiens" +"dimetindene" 903 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.58 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL22108" "Tclin" "Homo sapiens" +"dimetindene" 903 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.72 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL22108" "Tclin" "Homo sapiens" +"dimetindene" 903 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 9.16 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL22108" "Tclin" "Homo sapiens" +"dimethyltubocurarinium" 908 "Neuronal acetylcholine receptor; alpha2/beta2" "Ion channel" "P17787|Q15822" "CHRNA2|CHRNB2" "ACHA2_HUMAN|ACHB2_HUMAN" "WOMBAT-PK" "Tchem|Tclin" "Homo sapiens" +"dimethyltubocurarinium" 908 "Acetylcholine receptor" "Ion channel" "P02708|P11230|Q07001" "CHRNA1|CHRNB1|CHRND" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN" 7.7447 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1259" "ANTAGONIST" "Tclin|Tclin|Tclin" "Homo sapiens" +"dioxyline" 911 "Methionine aminopeptidase 2" "Enzyme" "P50579" "METAP2" "MAP2_HUMAN" 4.46000003814697 "IC50" "Inhibition of human MetAP2 expressed in baculovirus infected Sf9 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1170610" "Tchem" "Homo sapiens" +"dioxyline" 911 "Methionine aminopeptidase 1" "Enzyme" "P53582" "METAP1" "MAP11_HUMAN" 4.36999988555908 "IC50" "Inhibition of human MetAP1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1170610" "Tchem" "Homo sapiens" +"dinoprost" 912 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "P43116" "PTGER2" "PE2R2_HUMAN" 6 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" +"dinoprost" 912 "Prostaglandin D2 receptor 2" "GPCR" "Q9Y5Y4" "PTGDR2" "PD2R2_HUMAN" 6.4 "Ki" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" +"dinoprost" 912 "Thromboxane A2 receptor" "GPCR" "P21731" "TBXA2R" "TA2R_HUMAN" 5.1 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" +"dinoprost" 912 "Prostaglandin D2 receptor" "GPCR" "Q13258" "PTGDR" "PD2R_HUMAN" 5.35 "IC50" "Affinity for human Prostaglandin D2 receptor expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL815" "Tclin" "Homo sapiens" +"dinoprost" 912 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P35408" "PTGER4" "PE2R4_HUMAN" 5.38 "IC50" "Affinity for Prostanoid EP4 receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL815" "Tclin" "Homo sapiens" +"dinoprost" 912 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P34995" "PTGER1" "PE2R1_HUMAN" 6.66 "IC50" "In vitro binding at EP1 human prostaglandin receptor using [3H]PGE-2 as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL815" "Tclin" "Homo sapiens" +"dinoprost" 912 "Prostaglandin F2-alpha receptor" "GPCR" "P43117" "Ptgfr" "PF2R_MOUSE" 7.9 "EC50" "Agonist activity at FP receptor in mouse 3T3 fibroblast cells assessed as intracellular calcium mobilization by FLIPR" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL815" "Mus musculus" +"dinoprost" 912 "Prostaglandin F2-alpha receptor" "GPCR" "P37289" "PTGFR" "PF2R_BOVIN" 6.89 "Ki" "Binding affinity for Prostanoid FP receptor of bovine corpus luteum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL815" "Bos taurus" +"dinoprost" 912 "Prostaglandin F2-alpha receptor" "GPCR" "P43088" "PTGFR" "PF2R_HUMAN" 8.4 "Kd" "GRAC: human FP probe" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL815" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL815" "AGONIST" "Tclin" "Homo sapiens" +"dinoprost" 912 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P43115" "PTGER3" "PE2R3_HUMAN" 6.96 "IC50" "In vitro binding at EP3 human prostaglandin receptor using [3H]PGE-2 as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL815" "Tclin" "Homo sapiens" +"dinoprost" 912 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P30557" "Ptger3" "PE2R3_MOUSE" 7.12 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" +"dinoprost" 912 "Prostaglandin E2 receptor EP3 subtype" "Unclassified" "P34980" "Ptger3" "PE2R3_RAT" 8.38 "EC50" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" +"dinoprost" 912 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P35375" "Ptger1" "PE2R1_MOUSE" 5.9 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" +"dinoprost" 912 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P43114" "Ptger4" "PE2R4_RAT" 6.2 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" +"dinoprost" 912 "Prostaglandin E2 receptor EP1 subtype" "Unclassified" "P70597" "Ptger1" "PE2R1_RAT" 6.4 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" +"dinoprost" 912 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "Q62928" "Ptger2" "PE2R2_RAT" 5.6 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" +"dinoprost" 912 "Prostaglandin D2 receptor 2" "Unclassified" "Q9Z2J6" "Ptgdr2" "PD2R2_MOUSE" 6.2 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" +"dinoprostone" 913 "Prostaglandin D2 receptor" "GPCR" "Q13258" "PTGDR" "PD2R_HUMAN" 7 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" +"dinoprostone" 913 "Prostaglandin F2-alpha receptor" "GPCR" "P43088" "PTGFR" "PF2R_HUMAN" 6.9 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" +"dinoprostone" 913 "Prostaglandin D2 receptor 2" "GPCR" "Q9Y5Y4" "PTGDR2" "PD2R2_HUMAN" 5.3 "Ki" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" +"dinoprostone" 913 "Thromboxane A2 receptor" "GPCR" "P21731" "TBXA2R" "TA2R_HUMAN" 4.5 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" +"dinoprostone" 913 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P35408" "PTGER4" "PE2R4_HUMAN" 9.77 "Ki" "Binding affinity to human prostanoid EP4 receptor by radioligand displacement assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL548" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL548" "AGONIST" "Tclin" "Homo sapiens" +"dinoprostone" 913 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P34995" "PTGER1" "PE2R1_HUMAN" 8.04 "Ki" "Displacement of [3H]PGE2 from human EP1 receptor expressed in HEK293 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL548" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL548" "AGONIST" "Tclin" "Homo sapiens" +"dinoprostone" 913 "Solute carrier family 22 member 6" "Transporter" "Q8VC69" "Slc22a6" "S22A6_MOUSE" 5.47 "Ki" "Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL548" "Mus musculus" +"dinoprostone" 913 "Prostacyclin receptor" "GPCR" "P43119" "PTGIR" "PI2R_HUMAN" 6.59 "IC50" "Agonist activity at prostanoid IP receptor (unknown origin) by functional assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL548" "Tclin" "Homo sapiens" +"dinoprostone" 913 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "P43116" "PTGER2" "PE2R2_HUMAN" 8.77 "Ki" "Binding affinity to human prostanoid EP2 receptor by radioligand displacement assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL548" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL548" "AGONIST" "Tclin" "Homo sapiens" +"dinoprostone" 913 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P43115" "PTGER3" "PE2R3_HUMAN" 9.48 "Ki" "Displacement of [3H]PGE2 from human EP3 receptor expressed in HEK293 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL548" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL548" "AGONIST" "Tclin" "Homo sapiens" +"dinoprostone" 913 "Solute carrier family 22 member 20" "Transporter" "Q80UJ1" "Slc22a20" "S22AK_MOUSE" 4.74 "Ki" "Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL548" "Mus musculus" +"dinoprostone" 913 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "Q62053" "Ptger2" "PE2R2_MOUSE" 7.66 "Ki" "Displacement of [3H]-PGE2 from mouse EP2 receptor expressed in CHO cells after 60 mins by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL548" "Mus musculus" +"dinoprostone" 913 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P35375" "Ptger1" "PE2R1_MOUSE" 8.22 "Ki" "Displacement of [3H]-PGE2 from mouse EP1 receptor expressed in CHO cells after 20 mins by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL548" "Mus musculus" +"dinoprostone" 913 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P30557" "Ptger3" "PE2R3_MOUSE" 8.3 "Ki" "Displacement of [3H]-PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL548" "Mus musculus" +"dinoprostone" 913 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P32240" "Ptger4" "PE2R4_MOUSE" 8.51 "Ki" "Displacement of [3H]-PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL548" "Mus musculus" +"dinoprostone" 913 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "Q62928" "Ptger2" "PE2R2_RAT" 8.28 "IC50" "Inhibition of rat EP2 receptor expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL548" "Rattus norvegicus" +"dinoprostone" 913 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P43114" "Ptger4" "PE2R4_RAT" 8.68 "IC50" "Inhibition of rat EP4 receptor expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL548" "Rattus norvegicus" +"dinoprostone" 913 "Prostaglandin E2 receptor EP3 subtype" "Unclassified" "P34980" "Ptger3" "PE2R3_RAT" 9.39 "EC50" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" +"dinoprostone" 913 "Prostaglandin F2-alpha receptor" "GPCR" "P43117" "Ptgfr" "PF2R_MOUSE" 7 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" +"dinoprostone" 913 "Prostaglandin E2 receptor EP1 subtype" "Unclassified" "P70597" "Ptger1" "PE2R1_RAT" 7.7 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" +"dinoprostone" 913 "Cation channel sperm-associated protein 4" "Ion channel" "Q7RTX7" "CATSPER4" "CTSR4_HUMAN" 6.3 "EC50" "Patch clamp electrophysiology." "IUPHAR" "=" "ACTIVATOR" "Tchem" "Homo sapiens" +"dinoprostone" 913 "Cation channel sperm-associated protein 3" "Ion channel" "Q86XQ3" "CATSPER3" "CTSR3_HUMAN" 6.3 "EC50" "Patch clamp electrophysiology." "IUPHAR" "=" "ACTIVATOR" "Tchem" "Homo sapiens" +"dinoprostone" 913 "Cation channel sperm-associated protein 1" "Ion channel" "Q8NEC5" "CATSPER1" "CTSR1_HUMAN" 6.3 "EC50" "Patch clamp electrophysiology" "IUPHAR" "=" "ACTIVATOR" "Tchem" "Homo sapiens" +"dinoprostone" 913 "Cation channel sperm-associated protein 2" "Ion channel" "Q96P56" "CATSPER2" "CTSR2_HUMAN" 6.3 "EC50" "Patch clamp electrophysiology." "IUPHAR" "=" "ACTIVATOR" "Tchem" "Homo sapiens" +"dinoprostone" 913 "Prostaglandin D2 receptor 2" "Unclassified" "Q9Z2J6" "Ptgdr2" "PD2R2_MOUSE" 5.5 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" +"diphemanil" 915 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB13720" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200880" "ANTAGONIST" "Tclin" "Homo sapiens" +"diphemanil" 915 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "Mechanism of Action; CHEMBL216; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200880" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200880" "ANTAGONIST" "Tclin" "Homo sapiens" +"diphenhydramine" 916 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.42021656036377 "Kd" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/9537821" "Tclin" "Homo sapiens" +"diphenhydramine" 916 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.65757751464844 "Kd" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/9537821" "Tclin" "Homo sapiens" +"diphenhydramine" 916 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.9508 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"diphenhydramine" 916 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.9208 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"diphenhydramine" 916 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"diphenhydramine" 916 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.81 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL657" "ANTAGONIST" "Tclin" "Homo sapiens" +"diphenhydramine" 916 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.431798276 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diphenhydramine" 916 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.148130399 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diphenhydramine" 916 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.289882635 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diphenhydramine" 916 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 4.37 "Ki" "Displacement of [3H]histamine from human H4R expressed in Sf9 cells co-expressing RGS19, Galphai2 and Gbeta1gamma2 after 60 mins by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL657" "Tchem" "Homo sapiens" +"diphenhydramine" 916 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 9 "IC50" "Antihistaminic activity against Histamine H1 receptor was measured on isolated terminal part of guinea pig ileum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL657" "Cavia porcellus" +"diphenhydramine" 916 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.59 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL657" "Tclin" "Homo sapiens" +"diphenhydramine" 916 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.22 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL657" "Tclin|Tclin|Tclin" "Homo sapiens" +"diphenhydramine" 916 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 4.9318 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"diphenhydramine" 916 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.585 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"diphenhydramine" 916 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.6402 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"diphenhydramine" 916 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.0177 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"diphenhydramine" 916 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.6778 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"diphenoxylate" 918 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 7.1674 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200665" "AGONIST" "Tclin" "Homo sapiens" +"diphenoxylate" 918 "Potassium voltage-gated channel subfamily A member 3" "Ion channel" "P22001" "KCNA3" "KCNA3_HUMAN" 5.3 "IC50" "Inhibition of Kv1.3 expressed in mouse L929 cells exposed to depolarizing step pulses from -80 mV to +40 mV by whole cell patch clamp method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200665" "Tclin" "Homo sapiens" +"diphenylpyraline" 920 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.0757 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1492" "ANTAGONIST" "Tclin" "Homo sapiens" +"diphenylpyraline" 920 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 6.38 "IC50" "Displacement of [125I]RTI-55 dopamine transporter binding in rat striatal membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1492" "Rattus norvegicus" +"diphenylpyraline" 920 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.3767 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"diphenylpyraline" 920 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.699 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"diphenylpyraline" 920 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"dipivefrine" 922 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200833" "AGONIST" "Tclin" "Homo sapiens" +"dipivefrine" 922 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200833" "AGONIST" "Tclin" "Homo sapiens" +"dipivefrine" 922 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200833" "AGONIST" "Tclin" "Homo sapiens" +"diprafenone" 923 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"diprafenone" 923 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"diprafenone" 923 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"dipyridamole" 924 "Main protease (M-PRO)" "Enzyme" "P0DTD1" "REP" "R1AB_SARS2" 6.26 "IC50" "SCIENTIFIC LITERATURE" "=" "http://dx.doi.org/10.1101/2020.03.23.004580" "INHIBITOR" "Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) (SARS-CoV-2)" +"dipyridamole" 924 "cAMP-specific 3',5'-cyclic phosphodiesterase 4A" "Enzyme" "P27815" "PDE4A" "PDE4A_HUMAN" 5.80161787 "IC50" "DRUGMATRIX: Phosphodiesterase PDE4 enzyme inhibition (substrate: [3H]cAMP + cAMP)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "INHIBITOR" "Tclin" "Homo sapiens" +"dipyridamole" 924 "Sodium/nucleoside cotransporter 1" "Transporter" "O00337" "SLC28A1" "S28A1_HUMAN" 7.537602002 "Ki" "DRUGMATRIX: Sodium/nucleoside co-transporter radioligand binding (ligand: nitrobenzylthioinosine)" "DRUG MATRIX" "=" "INHIBITOR" "Tbio" "Homo sapiens" +"dipyridamole" 924 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.157640427 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" +"dipyridamole" 924 "High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B" "Enzyme" "O95263" "PDE8B" "PDE8B_HUMAN" 4.3 "IC50" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4807" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "INHIBITOR" "Tclin" "Homo sapiens" +"dipyridamole" 924 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "O76074" "PDE5A" "PDE5A_HUMAN" 6.28 "IC50" "Inhibitory activity against cyclic GMP-phosphodiesterase (PDE V) isolated from porcine aorta." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "INHIBITOR" "Tclin" "Homo sapiens" +"dipyridamole" 924 "Cyclic AMP-specific phosphodiesterase SSPDE4A1A" "Enzyme" "O77823" "PDE4A" "O77823_PIG" 5.28 "IC50" "Inhibition of phosphodiesterase 4 (PDE4) from porcine liver, range 0.058-7.78" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "Sus scrofa" +"dipyridamole" 924 "Protein prune homolog" "Enzyme" "Q86TP1" "PRUNE" "PRUNE_HUMAN" 6.11 "IC50" "Inhibition of human prune assessed as reduction of cAMP-phosphodiesterase activity" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "Tchem" "Homo sapiens" +"dipyridamole" 924 "Equilibrative nucleoside transporter 1" "Transporter" "Q99808" "SLC29A1" "S29A1_HUMAN" 8.5 "Ki" "GRAC: human ENT1 selective inhibitor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "INHIBITOR" "Tclin" "Homo sapiens" +"dipyridamole" 924 "Phosphodiesterase 6" "Enzyme" "O43924|P16499|P18545|P35913|P51160|Q13956" "PDE6A|PDE6B|PDE6C|PDE6D|PDE6G|PDE6H" "CNCG_HUMAN|CNRG_HUMAN|PDE6A_HUMAN|PDE6B_HUMAN|PDE6C_HUMAN|PDE6D_HUMAN" 6.9 "Ki" "Inhibition of human phosphodiesterase 6" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"dipyridamole" 924 "cAMP-specific 3',5'-cyclic phosphodiesterase 7B" "Enzyme" "Q9NP56" "PDE7B" "PDE7B_HUMAN" 6 "IC50" "GRAC: human PDE7B selective inhibitor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "INHIBITOR" "Tclin" "Homo sapiens" +"dipyridamole" 924 "Phosphodiesterase 7" "Enzyme" "Q13946|Q9NP56" "PDE7A|PDE7B" "PDE7A_HUMAN|PDE7B_HUMAN" 6.22 "Ki" "Inhibition of human phosphodiesterase 7" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"dipyridamole" 924 "Phosphodiesterase 1" "Enzyme" "P54750|Q01064|Q14123" "PDE1A|PDE1B|PDE1C" "PDE1A_HUMAN|PDE1B_HUMAN|PDE1C_HUMAN" 4.35 "IC50" "Inhibition of [Ca(2+)]/calmodulin dependent phosphodiesterase PDE 1 of guinea pig ventricle" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "INHIBITOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"dipyridamole" 924 "cGMP-dependent 3',5'-cyclic phosphodiesterase" "Enzyme" "O00408" "PDE2A" "PDE2A_HUMAN" 5.49 "IC50" "Inhibition of phosphodiesterase 2 (PDE2) from porcine platelets, range 2.54-4.14" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "INHIBITOR" "Tclin" "Homo sapiens" +"dipyridamole" 924 "Phosphodiesterase 3" "Enzyme" "Q13370|Q14432" "PDE3A|PDE3B" "PDE3A_HUMAN|PDE3B_HUMAN" 4.37 "IC50" "Inhibition of low Km cyclic cAMP phosphodiesterase PDE III of guinea pig ventricle" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"dipyridamole" 924 "Cyclic nucleotide phosphodiesterase PDE3A" "Enzyme" "Q9XSW7" "Q9XSW7_PIG" 4.36 "IC50" "Inhibition of phosphodiesterase 3 (PDE3) from porcine platelets, range 31.8-60.7" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "Sus scrofa" +"dipyridamole" 924 "Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A" "Enzyme" "Q9HCR9" "PDE11A" "PDE11_HUMAN" 6.4 "Ki" "Inhibition of human phosphodiesterase 11" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "Tchem" "Homo sapiens" +"dipyridamole" 924 "cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A" "Enzyme" "Q9Y233" "PDE10A" "PDE10_HUMAN" 6 "Ki" "Inhibitory activity against phosphodiesterase 10" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "INHIBITOR" "Tclin" "Homo sapiens" +"dipyridamole" 924 "High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A" "Enzyme" "O60658" "PDE8A" "PDE8A_HUMAN" 5.1 "IC50" "GRAC: human PDE8A selective inhibitor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "INHIBITOR" "Tclin" "Homo sapiens" +"dipyridamole" 924 "ORF 73" "Unclassified" "O40947" "O40947_HHV8" 5.05 "AC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "Human herpesvirus 8" +"dipyridamole" 924 "Equilibrative nucleoside transporter 4" "Transporter" "Q7RTT9" "SLC29A4" "S29A4_HUMAN" 5.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4807" "INHIBITOR" "Tbio" "Homo sapiens" +"disopyramide" 926 "G protein-activated inward rectifier potassium channel 4" "Ion channel" "P48544" "KCNJ5" "KCNJ5_HUMAN" 4.9208 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"disopyramide" 926 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL517" "BLOCKER" "Tclin" "Homo sapiens" +"disopyramide" 926 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"disopyramide" 926 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"disopyramide" 926 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"disopyramide" 926 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.5686 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"disopyramide" 926 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4" "Ion channel" "Q9Y3Q4" "HCN4" "HCN4_HUMAN" 3.6038 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"disopyramide" 926 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.09 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL517" "Tchem" "Homo sapiens" +"disopyramide" 926 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.0362 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"distigmine" 927 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" "Mechanism of Action" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01228" "http://www.kegg.jp/entry/D01228" "INHIBITOR" "Tclin" "Homo sapiens" +"disulfiram" 928 "Aldehyde dehydrogenase, mitochondrial" "Enzyme" "P05091" "ALDH2" "ALDH2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL964" "INHIBITOR" "Tclin" "Homo sapiens" +"disulfiram" 928 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.846185136 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"disulfiram" 928 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.966978555 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"disulfiram" 928 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.115034802 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"disulfiram" 928 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.735418271 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"disulfiram" 928 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 4.15606992 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"disulfiram" 928 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 4.657893285 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"disulfiram" 928 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.129069642 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"disulfiram" 928 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.832978204 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"disulfiram" 928 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.434152181 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"disulfiram" 928 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.433680378 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"disulfiram" 928 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 6.696803943 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"disulfiram" 928 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.956637722 "Ki" "DRUGMATRIX: Dopamine D4.2 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"disulfiram" 928 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.612432221 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"disulfiram" 928 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 5.397940009 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"disulfiram" 928 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 4.862202957 "IC50" "DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"disulfiram" 928 "cAMP-specific 3',5'-cyclic phosphodiesterase 4A" "Enzyme" "P27815" "PDE4A" "PDE4A_HUMAN" 5.31884925 "IC50" "DRUGMATRIX: Phosphodiesterase PDE4 enzyme inhibition (substrate: [3H]cAMP + cAMP)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"disulfiram" 928 "C-C chemokine receptor type 5" "GPCR" "P51681" "CCR5" "CCR5_HUMAN" 4.737928787 "Ki" "DRUGMATRIX: Chemokine CCR5 radioligand binding (ligand: [125I] MIP-1alpha)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"disulfiram" 928 "C-X-C chemokine receptor type 2" "GPCR" "P25025" "CXCR2" "CXCR2_HUMAN" 5.375821074 "Ki" "DRUGMATRIX: Chemokine CXCR2 (IL-8B) radioligand binding (ligand: [125I] IL-8)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"disulfiram" 928 "C-C chemokine receptor type 2" "GPCR" "P41597" "CCR2" "CCR2_HUMAN" 6.020451625 "Ki" "DRUGMATRIX: Chemokine CCR2B radioligand binding (ligand: [125I] MCP-1)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"disulfiram" 928 "Mitogen-activated protein kinase 3" "Kinase" "P27361" "MAPK3" "MK03_HUMAN" 5.821023053 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"disulfiram" 928 "Sodium/nucleoside cotransporter 1" "Transporter" "O00337" "SLC28A1" "S28A1_HUMAN" 5.237471478 "Ki" "DRUGMATRIX: Sodium/nucleoside co-transporter radioligand binding (ligand: nitrobenzylthioinosine)" "DRUG MATRIX" "=" "Tbio" "Homo sapiens" +"disulfiram" 928 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 4.794092237 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" +"disulfiram" 928 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.668572703 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"disulfiram" 928 "C-C chemokine receptor type 4" "GPCR" "P51679" "CCR4" "CCR4_HUMAN" 5.356843534 "Ki" "DRUGMATRIX: Chemokine CCR4 radioligand binding (ligand: [125I] TARC)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"disulfiram" 928 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 4.332537708 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"disulfiram" 928 "Monoglyceride lipase" "Enzyme" "Q99685" "MGLL" "MGLL_HUMAN" 5.9 "IC50" "Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL964" "Tchem" "Homo sapiens" +"disulfiram" 928 "Aldehyde dehydrogenase, mitochondrial" "Enzyme" "P11884" "Aldh2" "ALDH2_RAT" 4.4 "IC50" "Inhibition of recombinant rat ALDH activity in liver mitochondria" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL964" "Rattus norvegicus" +"disulfiram" 928 "Translocator protein" "Transporter" "P30536" "TSPO" "TSPO_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"disulfiram" 928 "Bifunctional protein GlmU" "Unclassified" "P9WMN3" "glmU" "GLMU_MYCTU" 4.07 "IC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL964" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"ditiocarb" 931 "Carbonic anhydrase 1; GH09688p" "Enzyme" "Q9V396" "CAH1" "Q9V396_DROME" 5.63 "Ki" "Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-1 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL961" "Drosophila melanogaster" +"ditiocarb" 931 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.19 "Ki" "Inhibition of human recombinant carbonic anhydrase 4-catalyzed CO2 hydration by stopped flow assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL961" "Tclin" "Homo sapiens" +"ditiocarb" 931 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 6.1 "Ki" "Inhibition of human recombinant carbonic anhydrase 1-catalyzed CO2 hydration by stopped flow assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL961" "Tclin" "Homo sapiens" +"ditiocarb" 931 "Carbonic anhydrase 2, isoform A; LD26647p" "Enzyme" "Q9VTU8" "CAH2" "Q9VTU8_DROME" 6.18 "Ki" "Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-2 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL961" "Drosophila melanogaster" +"ditiocarb" 931 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.51 "Ki" "Inhibition of human recombinant carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL961" "Tclin" "Homo sapiens" +"ditiocarb" 931 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 4.25 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 13-catalyzed CO2 hydration by stopped flow assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL961" "Mus musculus" +"ditiocarb" 931 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.96 "Ki" "Inhibition of human CA12 pre-incubated for 15 mins by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL961" "Tclin" "Homo sapiens" +"ditiocarb" 931 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 5.85 "Ki" "Inhibition of human CA9 pre-incubated for 15 mins by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL961" "Tclin" "Homo sapiens" +"levomenthol" 934 "Transient receptor potential cation channel subfamily M member 8" "Ion channel" "Q7Z2W7" "TRPM8" "TRPM8_HUMAN" 4.6 "EC50" "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2430" "http://www.ncbi.nlm.nih.gov/pubmed/15306801" "ACTIVATOR" "Tclin" "Homo sapiens" +"levomenthol" 934 "Transient receptor potential cation channel subfamily A member 1" "Ion channel" "O75762" "TRPA1" "TRPA1_HUMAN" 4.5 "EC50" "Calcium imaging, patch clamp" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2430" "ACTIVATOR" "Tclin" "Homo sapiens" +"levomenthol" 934 "Transient receptor potential cation channel subfamily A member 1" "Unclassified" "Q8BLA8" "Trpa1" "TRPA1_MOUSE" 4.2 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2430" "GATING INHIBITOR" "Mus musculus" +"levomenthol" 934 "Transient receptor potential cation channel subfamily M member 8" "Unclassified" "Q8R455" "Trpm8" "TRPM8_RAT" 4.2 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2430" "ACTIVATOR" "Rattus norvegicus" +"levomenthol" 934 "Transient receptor potential cation channel subfamily M member 8" "Unclassified" "Q8R4D5" "Trpm8" "TRPM8_MOUSE" 5.4 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2430" "ACTIVATOR" "Mus musculus" +"dobutamine" 937 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 5.975514332 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dobutamine" 937 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.997402019 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dobutamine" 937 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.420216403 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dobutamine" 937 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.868381336 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dobutamine" 937 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.771343042 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dobutamine" 937 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.910094889 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dobutamine" 937 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.346787486 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dobutamine" 937 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.255628773 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dobutamine" 937 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 5.258139606 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dobutamine" 937 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.400662867 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dobutamine" 937 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 6.222573178 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" +"dobutamine" 937 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.730487056 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"dobutamine" 937 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 5.795880017 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"dobutamine" 937 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 6.14 "Ki" "Inhibition of human carbonic anhydrase 5a after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL926" "Tclin" "Homo sapiens" +"dobutamine" 937 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 6.32 "Ki" "Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL926" "Tclin" "Homo sapiens" +"dobutamine" 937 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 4.92 "Ki" "Inhibition of human carbonic anhydrase 14 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL926" "Tclin" "Homo sapiens" +"dobutamine" 937 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 5.37 "Ki" "Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL926" "Tclin" "Homo sapiens" +"dobutamine" 937 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.36 "Ki" "Inhibition of human carbonic anhydrase 12 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL926" "Tclin" "Homo sapiens" +"dobutamine" 937 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 5.01 "Ki" "Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL926" "Tclin" "Homo sapiens" +"dobutamine" 937 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 6.41 "Ki" "Inhibition of mouse carbonic anhydrase 15 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL926" "Mus musculus" +"dobutamine" 937 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.05 "Ki" "Inhibition of human carbonic anhydrase 4 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL926" "Tclin" "Homo sapiens" +"dobutamine" 937 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5.72 "Ki" "Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL926" "Tclin" "Homo sapiens" +"dobutamine" 937 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 6.05 "Ki" "Inhibition of human carbonic anhydrase 5b after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL926" "Tclin" "Homo sapiens" +"dobutamine" 937 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 5.13 "Ki" "Inhibition of human carbonic anhydrase 3 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL926" "Tclin" "Homo sapiens" +"dobutamine" 937 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 5.02 "Ki" "Inhibition of human carbonic anhydrase 13 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL926" "Tclin" "Homo sapiens" +"dobutamine" 937 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 5.02 "Ki" "Inhibition of human carbonic anhydrase 6 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL926" "Tclin" "Homo sapiens" +"dobutamine" 937 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.2 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL926" "AGONIST" "Tclin" "Homo sapiens" +"dobutamine" 937 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.5 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL926" "AGONIST" "Tclin" "Homo sapiens" +"dobutamine" 937 "Catechol O-methyltransferase" "Enzyme" "P21964" "COMT" "COMT_HUMAN" 4.301 "Km" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"dobutamine" 937 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 6.96 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL926" "Rattus norvegicus" +"docetaxel" 939 "Tubulin beta" "Tumour-associated antigen" "P04350|P07437|P68371|Q13509|Q13885|Q3ZCM7|Q9BUF5|Q9BVA1|Q9H4B7" "TUBB|TUBB1|TUBB2A|TUBB2B|TUBB3|TUBB4A|TUBB4B|TUBB6|TUBB8" "TBB1_HUMAN|TBB2A_HUMAN|TBB2B_HUMAN|TBB3_HUMAN|TBB4A_HUMAN|TBB4B_HUMAN|TBB5_HUMAN|TBB6_HUMAN|TBB8_HUMAN" 6.69899988174439 "ID50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL92" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"docetaxel" 939 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 9.0862 "Kd" "WOMBAT-PK" "=" "INHIBITOR" "Tclin" "Homo sapiens" +"docetaxel" 939 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.698970004 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"docetaxel" 939 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 6.283162277 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"docetaxel" 939 "Multidrug resistance-associated protein 7" "Transporter" "Q5T3U5" "ABCC10" "MRP7_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"docetaxel" 939 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"docetaxel" 939 "Growth hormone-releasing hormone receptor" "GPCR" "Q02643" "GHRHR" "GHRHR_HUMAN" 9.85 "IC50" "Displacement of [125I]JV1-42 from GHRH receptor expressed in human MX1 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL92" "Tclin" "Homo sapiens" +"docosanol" 940 "Envelope glycoprotein" "Membrane other" "O09800|P04288|P04488|P06477|P06480|P06484|P06487|P10185|P10211|P10228|P68331|Q69091" "gB|gC|gD|gE|gG|gH|gI|gJ|gK|gL|gM|gN" "GB_HHV11|GC_HHV11|GD_HHV11|GE_HHV11|GG_HHV11|GH_HHV11|GI_HHV11|GJ_HHV11|GK_HHV11|GL_HHV11|GM_HHV11|GN_HHV11" "Mechanism of Action; CHEMBL2364696; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200453" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200453" "INHIBITOR" "Human herpesvirus 1 (strain 17)" +"dofetilide" 942 "Potassium voltage-gated channel subfamily H member 1" "Ion channel" "O95259" "KCNH1" "KCNH1_HUMAN" 7.5 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2604" "BLOCKER" "Tclin" "Homo sapiens" +"dofetilide" 942 "Potassium channel subfamily K member 2" "Ion channel" "O95069" "KCNK2" "KCNK2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"dofetilide" 942 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 8.19 "Ki" "Displacement of [3H]dofetilide from hERG expressed in HEK293 cells by SPA" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL473" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL473" "BLOCKER" "Tclin" "Homo sapiens" +"domperidone" 945 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.4 "Ki" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=965" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=965" "ANTAGONIST" "Tclin" "Homo sapiens" +"domperidone" 945 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.76649624 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"domperidone" 945 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.988429556 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"domperidone" 945 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.78968148 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"domperidone" 945 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.586197483 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"domperidone" 945 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.958607315 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"domperidone" 945 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.781202002 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"domperidone" 945 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.156144577 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"domperidone" 945 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.013228266 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"domperidone" 945 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.806875402 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"domperidone" 945 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.832682665 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"domperidone" 945 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.935542011 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"domperidone" 945 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.55315229 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"domperidone" 945 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.060480747 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"domperidone" 945 "Calmodulin" "Cytosolic other" "P0DP23|P0DP24|P0DP25" "CALM1|CALM2|CALM3" "CALM1_HUMAN|CALM2_HUMAN|CALM3_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"domperidone" 945 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 6.2757 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"domperidone" 945 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.0969 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"domperidone" 945 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 5.5229 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"domperidone" 945 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 6.65 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"domperidone" 945 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.7905 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"domperidone" 945 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.1 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL219916" "Tchem" "Homo sapiens" +"domperidone" 945 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 7.93 "Ki" "Displacement of [3H]nemonapride from Rattus norvegicus (rat) wild type dopamine D3 receptor transfected in african green monkey COS7 cells after 1 hr by beta scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL219916" "Rattus norvegicus" +"domperidone" 945 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.46 "Ki" "Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL219916" "Tclin" "Homo sapiens" +"domperidone" 945 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 4.83 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL219916" "Tchem" "Homo sapiens" +"domperidone" 945 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.64 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL219916" "Tchem" "Homo sapiens" +"domperidone" 945 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 9.28 "Ki" "Displacement of [3H]nemonapride from Rattus norvegicus (rat) wild type dopamine D2 receptor transfected in african green monkey COS7 cells after 1 hr by beta scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL219916" "Rattus norvegicus" +"domperidone" 945 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"domperidone" 945 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 6.55 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL219916" "Rattus norvegicus" +"donepezil" 946 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 7.8 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502" "INHIBITOR" "Tclin" "Homo sapiens" +"donepezil" 946 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.0458 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"donepezil" 946 "Acetylcholinesterase" "Enzyme" "P23795" "ACHE" "ACES_BOVIN" 8.54 "Ki" "Inhibition of fetal Bovine serum AChE" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502" "Bos taurus" +"donepezil" 946 "Acetylcholinesterase" "Enzyme" "P04058" "ache" "ACES_TORCA" 8.24 "IC50" "Inhibition of Torpedo californica AChE" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502" "Torpedo californica" +"donepezil" 946 "Choline O-acetyltransferase" "Enzyme" "P32738" "Chat" "CLAT_RAT" 8.28 "IC50" "In vitro inhibitory activity against acetylcholinesterase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502" "Rattus norvegicus" +"donepezil" 946 "Butyrylcholinesterase; Protein Bche" "Enzyme" "Q9JKC1" "Bche" "Q9JKC1_RAT" 5.56 "IC50" "Inhibition of BChE in rat serum after 15 mins by modified Ellman method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502" "Rattus norvegicus" +"donepezil" 946 "Acetylcholinesterase" "Enzyme" "P37136" "Ache" "ACES_RAT" 8.77 "IC50" "In vitro inhibitory effect on rat Acetylcholinesterase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502" "Rattus norvegicus" +"donepezil" 946 "Acetylcholinesterase" "Enzyme" "P21836" "Ache" "ACES_MOUSE" 8.24 "IC50" "Inhibitory activity against acetylcholinesterase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502" "Mus musculus" +"donepezil" 946 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 6.08 "IC50" "Inhibition of equine serum BuChE by Ellman's method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502" "Equus caballus" +"donepezil" 946 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 4.82 "IC50" "Inhibition of human recombinant MAO-B using tyramine as substrate preincubated for 30 mins followed by substrate addition measured for 1 hr by fluorometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502" "Tclin" "Homo sapiens" +"donepezil" 946 "Amine oxidase [flavin-containing] B" "Enzyme" "P19643" "Maob" "AOFB_RAT" 4.82 "IC50" "Inhibition of rat liver mitochondrial MAO-B using [14C]-phenylethylamine after 30 mins by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502" "Rattus norvegicus" +"donepezil" 946 "Beta-secretase 1" "Enzyme" "P56817" "BACE1" "BACE1_HUMAN" 5.49 "IC50" "Inhibition of BACE1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502" "Tchem" "Homo sapiens" +"donepezil" 946 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.84 "Ki" "Displacement of [3H]DTG from sigma 1 receptor (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502" "Tclin" "Homo sapiens" +"donepezil" 946 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.7 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502" "Tclin" "Homo sapiens" +"donepezil" 946 "Butyrylcholinesterase" "Enzyme" "Q9N1N9" "BCHE" "Q9N1N9_HORSE" 6.19 "Ki" "Inhibition of Equine Butyrylcholinesterase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502" "Equus caballus" +"donepezil" 946 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 7.25 "Ki" "Non competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502" "Electrophorus electricus" +"donepezil" 946 "Cholinesterase" "Enzyme" "P06276" "BCHE" "CHLE_HUMAN" 4.9 "Ki" "Non competitive inhibition of human serum BChE using butyrylthiocholine iodide as substrate by Lineweaver-Burk plot analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502" "Tclin" "Homo sapiens" +"donepezil" 946 "Histamine H3 receptor" "GPCR" "Q9Y5N1" "HRH3" "HRH3_HUMAN" 6.46 "IC50" "Inhibition of histamine H3 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502" "Tclin" "Homo sapiens" +"donepezil" 946 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 4.46000003814697 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502" "Tchem" "Homo sapiens" +"dopamine" 947 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 9 "Ki" "WOMBAT-PK" "=" "AGONIST" "Tchem" "Homo sapiens" +"dopamine" 947 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 9 "Ki" "WOMBAT-PK" "=" "AGONIST" "Tchem" "Homo sapiens" +"dopamine" 947 "Dopamine receptor" "GPCR" "P20288|Q95136" "DRD1|DRD2" "DRD1_BOVIN|DRD2_BOVIN" 8.43 "IC50" "Tested for binding to dopamine receptor using [3H]- ADTN as radioligand in calf caudate nucleus homogenates." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL59" "Bos taurus" +"dopamine" 947 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 6.7 "IC50" "Inhibition of dopamine transporter-mediated [3H]dopamine uptake in Wistar rat striatal synaptosomes by liquid scintillation spectrometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL59" "Rattus norvegicus" +"dopamine" 947 "Adenylate cyclase" "Enzyme" "D4A3N4|P21932|P26769|P26770|P40146|Q03343|Q04400|Q8CFM9" "Adcy1|Adcy2|Adcy3|Adcy4|Adcy5|Adcy6|Adcy8" "ADCY2_RAT|ADCY3_RAT|ADCY4_RAT|ADCY5_RAT|ADCY6_RAT|ADCY8_RAT|D4A3N4_RAT|Q8CFM9_RAT" 5.46 "EC50" "Tested for ability to stimulate dopamine sensitive adenylate cyclase in rat caudate homogenate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL59" "Rattus norvegicus" +"dopamine" 947 "D(1A) dopamine receptor" "GPCR" "Q95136" "DRD1" "DRD1_BOVIN" 8.15 "Ki" "Binding Affinity was tested on High Affinity Site of Bovine Dopamine receptor D1. Tested for ability to displace the radioligand [3H]-SCH- 23390" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL59" "Bos taurus" +"dopamine" 947 "Beta-1 adrenergic receptor" "GPCR" "P18090" "Adrb1" "ADRB1_RAT" 5 "Ki" "Binding of [3H]dihydroalprenolol to beta-1 adrenergic receptor of rat cerebral cortical membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL59" "Rattus norvegicus" +"dopamine" 947 "D(4) dopamine receptor" "GPCR" "P30729" "Drd4" "DRD4_RAT" 8.62 "EC50" "In vitro effective concentration tested on HEK293 cells co-transfected with rat Dopamine receptor D4 using FLIPR assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL59" "Rattus norvegicus" +"dopamine" 947 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 4.19 "Kd" "Binding affinity to human adrenergic beta2 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL59" "Tclin" "Homo sapiens" +"dopamine" 947 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd2|Drd3|Drd4|Drd5" "DRD1_RAT|DRD2_RAT|DRD3_RAT|DRD4_RAT|DRD5_RAT" 5.27 "IC50" "Tested for Dopamine receptor activity by the inhibition against spiroperidol binding to rat caudate tissue." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL59" "Rattus norvegicus" +"dopamine" 947 "Melatonin receptor type 1A" "GPCR" "P48039" "MTNR1A" "MTR1A_HUMAN" 5.15 "Ki" "Displacement of 2-[125I]iodomelatonin from human Melatonin receptor type 1A expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL59" "Tclin" "Homo sapiens" +"dopamine" 947 "Melatonin receptor type 1B" "GPCR" "P49286" "MTNR1B" "MTR1B_HUMAN" 5.04 "Ki" "Inhibition of 2-[125I]iodomelatonin binding to human Melatonin receptor type 1B expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL59" "Tclin" "Homo sapiens" +"dopamine" 947 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 7.24 "Ki" "Binding of [3H]clonidine to alpha-2-adrenergic receptor of rat cerebral cortical membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL59" "Rattus norvegicus" +"dopamine" 947 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 4.85 "Ki" "Binding of [3H]prazosin to alpha-1 adrenergic receptor of rat cerebral cortical membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL59" "Rattus norvegicus" +"dopamine" 947 "D(2) dopamine receptor" "GPCR" "P20288" "DRD2" "DRD2_BOVIN" 8.74 "Ki" "Binding Affinity on high Affinity Site of Bovine dopamine receptor D2. Tested for ability to displace the radioligand [3H]pramipexole was tested" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL59" "Bos taurus" +"dopamine" 947 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.19 "Ki" "Displacement of [125I]RT155 binding in HEK cells expressing human DAT" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL59" "Tclin" "Homo sapiens" +"dopamine" 947 "Beta-2 adrenergic receptor" "GPCR" "P54833" "ADRB2" "ADRB2_CANFA" 4.3 "Ki" "Binding of [3H]dihydroalprenolol to beta-2 adrenergic receptor of rat cerebral cortical membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL59" "Canis familiaris" +"dopamine" 947 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 6.82 "Ki" "Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL59" "Rattus norvegicus" +"dopamine" 947 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 8.35 "Ki" "Displacement of [3H]-spiperone from rat dopamine D2S receptor expressed in rat C6 cells after 45 mins by scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL59" "Rattus norvegicus" +"dopamine" 947 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 7.96 "Ki" "Binding affinity which represents concentration giving half-maximal inhibition of [3H]7-OH-DPAT binding to Dopamine receptor D3 in rat tissue homogenate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL59" "Rattus norvegicus" +"dopamine" 947 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprk1|Oprm1|Sigmar1" "OPRD_RAT|OPRK_RAT|OPRM_RAT|SGMR1_RAT" 5.52 "IC50" "Ability to inhibit the specific binding of [3H]- dihydromorphine to opiate receptors in rat brain membrane preparation by 50%" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL59" "Rattus norvegicus" +"dopamine" 947 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.08365154266357 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"dopamine" 947 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9 "Ki" "WOMBAT-PK" "=" "AGONIST" "Tclin" "Homo sapiens" +"dopamine" 947 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9 "Ki" "WOMBAT-PK" "=" "AGONIST" "Tclin" "Homo sapiens" +"dopamine" 947 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 9 "Ki" "WOMBAT-PK" "=" "AGONIST" "Tclin" "Homo sapiens" +"dopamine" 947 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL59" "AGONIST" "Tclin" "Homo sapiens" +"dopamine" 947 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 8.18 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"dopamine" 947 "Trace amine-associated receptor 1" "GPCR" "Q96RJ0" "TAAR1" "TAAR1_HUMAN" 6.3747 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"dopamine" 947 "Dopamine beta-hydroxylase" "Enzyme" "P09172" "DBH" "DOPO_HUMAN" 3 "Km" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"dopamine" 947 "FAD-linked sulfhydryl oxidase ALR" "Enzyme" "P55789" "GFER" "ALR_HUMAN" 5.84999990463257 "AC50" "PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL59" "Tchem" "Homo sapiens" +"dopamine" 947 "Lysine-specific demethylase 4E" "Enzyme" "B2RXH2" "KDM4E" "KDM4E_HUMAN" 5.51999998092651 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL59" "Tchem" "Homo sapiens" +"dopamine" 947 "Adenosine A2b receptor" "GPCR" "P29276" "Adora2b" "AA2BR_RAT" 6.01 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL59" "Rattus norvegicus" +"dopamine" 947 "M18 aspartyl aminopeptidase" "Unclassified" "Q8I2J3" "Q8I2J3_PLAF7" 5.7 "IC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL59" "Plasmodium falciparum (isolate 3D7)" +"dopexamine" 948 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"dopexamine" 948 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"dorzolamide" 949 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 9.7 "Ki" "Inhibition of human recombinant carbonic anhydrase 2 by dansylamide (DNSA) competition assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218490" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218490" "INHIBITOR" "Tclin" "Homo sapiens" +"dorzolamide" 949 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 7.74 "Ki" "Inhibitory activity against murine carbonic anhydrase XIII (mCA XIII) by using CO2 hydrase assay method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218490" "Mus musculus" +"dorzolamide" 949 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 8.46 "Ki" "Inhibitory activity against catalytic domain of human carbonic anhydrase XII" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218490" "Tclin" "Homo sapiens" +"dorzolamide" 949 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 7.37 "Ki" "Inhibition of cloned isozyme, human carbonic anhydrase IV" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218490" "Tclin" "Homo sapiens" +"dorzolamide" 949 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 7.74 "Ki" "Inhibition of human carbonic anhydrase13 preincubated for 15 mins by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218490" "Tclin" "Homo sapiens" +"dorzolamide" 949 "Carbonic anhydrase" "Enzyme" "Q50565" "Q50565_METTH" 4.51 "Ki" "Inhibitory activity against beta carbonic anhydrase (Cab) from Methanobacterium thermoautotrophicum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218490" "Methanothermobacter thermautotrophicus (strain ATCC 29096 / DSM 1053 / JCM 10044 / NBRC 100330 / Delta H)" +"dorzolamide" 949 "Alpha carbonic anhydrase" "Unclassified" "B5SU02" "CA" "B5SU02_9CNID" 7.74 "Ki" "Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218490" "Stylophora pistillata" +"dorzolamide" 949 "Probable transmembrane carbonic anhydrase (Carbonate dehydratase) (Carbonic dehydratase); Transmembrane carbonic anhydrase" "Enzyme" "P96878" "P96878_MYCTU" 6.86 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3273 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218490" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"dorzolamide" 949 "Astrosclerin-3" "Unclassified" "A6YCJ1" "A6YCJ1_9METZ" 6.55 "Ki" "Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218490" "Astrosclera willeyana" +"dorzolamide" 949 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 5.1 "Ki" "Inhibition of human carbonic anhydrase 3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218490" "Tclin" "Homo sapiens" +"dorzolamide" 949 "Beta-carbonic anhydrase 1" "Enzyme" "P9WPJ7" "mtcA1" "MTCA1_MYCTU" 6.13 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase 1 encoded by Rv1284 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218490" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"dorzolamide" 949 "Carbonic anhydrase" "Unclassified" "C0IX24" "CA2" "C0IX24_9CNID" 6.95 "Ki" "Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218490" "Stylophora pistillata" +"dorzolamide" 949 "Delta carbonic anhydrase" "Unclassified" "Q5U9J1" "ca1" "Q5U9J1_THAWE" 7.3 "Ki" "Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218490" "Thalassiosira weissflogii" +"dorzolamide" 949 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 7.38 "Ki" "Inhibitory activity against human recombinant mitochondrial isozyme CA VA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218490" "Tclin" "Homo sapiens" +"dorzolamide" 949 "Carbonic anhydrase" "Enzyme" "P53615" "NCE103" "CAN_YEAST" 6.96 "Ki" "Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218490" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"dorzolamide" 949 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 7.57 "Ki" "Inhibitory constant against human carbonic anhydrase XIV in CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218490" "Tclin" "Homo sapiens" +"dorzolamide" 949 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 8.46 "Ki" "Ki value against human carbonic anhydrase VII" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218490" "Tclin" "Homo sapiens" +"dorzolamide" 949 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 7.28 "Ki" "Inhibitory activity against human carbonic anhydrase IX (hCA IX) by using CO2 hydrase assay method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218490" "Tclin" "Homo sapiens" +"dorzolamide" 949 "Carbonic anhydrase" "Enzyme" "O24855" "cynT" "CYNT_HELPY" 5.37 "Ki" "Inhibition of Helicobacter pylori recombinant CA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218490" "Helicobacter pylori (strain ATCC 700392 / 26695)" +"dorzolamide" 949 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 7.21 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218490" "Mus musculus" +"dorzolamide" 949 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 6.3 "Ki" "Inhibition of human cloned CA1 by CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218490" "Tclin" "Homo sapiens" +"dorzolamide" 949 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 7.48 "Ki" "Inhibitory activity against human recombinant mitochondrial isozyme CA VB" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218490" "Tclin" "Homo sapiens" +"dorzolamide" 949 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 8.05 "Ki" "Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218490" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"dorzolamide" 949 "Carbonic anhydrase" "Enzyme" "P40881" "CAH_METTE" 6.39 "Ki" "Inhibitory activity against alpha carbonic anhydrase (Zn-Cam) from Methanosarcina thermophila" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218490" "Methanosarcina thermophila" +"dorzolamide" 949 "Carbonic anhydrase 2" "Enzyme" "P9WPJ9" "mtcA2" "MTCA2_MYCTU" 7 "Ki" "Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218490" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"dorzolamide" 949 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 8 "Ki" "Inhibition of full length human recombinant CA VI" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218490" "Tclin" "Homo sapiens" +"dorzolamide" 949 "Carbonic anhydrase 4" "Enzyme" "Q95323" "CA4" "CAH4_BOVIN" 7.37 "Ki" "Inhibitory activity against bovine carbonic anhydrase IV from lung microsomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218490" "Bos taurus" +"dorzolamide" 949 "Carbonic anhydrase" "Unclassified" "Q5TU56" "Q5TU56_ANOGA" 6.56 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218490" "Anopheles gambiae" +"dorzolamide" 949 "Carbonic anhydrase" "Enzyme" "Q6FTL6" "Q6FTL6_CANGA" 5.18 "Ki" "Inhibition of recombinant full length Candida glabrata NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218490" "Candida glabrata (strain ATCC 2001 / CBS 138 / JCM 3761 / NBRC 0622 / NRRL Y-65)" +"dosulepin" 951 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.0362 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"dosulepin" 951 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.2147 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"dosulepin" 951 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.4202 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"dosulepin" 951 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.9625 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"dosulepin" 951 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.744 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"dosulepin" 951 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.699 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"dosulepin" 951 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.9208 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"dosulepin" 951 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 6.3778 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"dosulepin" 951 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.5884 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"dosulepin" 951 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.3372 "Kd" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7549" "INHIBITOR" "Tclin" "Homo sapiens" +"dosulepin" 951 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 8.0655 "Kd" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7549" "INHIBITOR" "Tclin" "Homo sapiens" +"dosulepin" 951 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.274905479 "Ki" "PDSP" "Tclin" "Homo sapiens" +"doxapram" 953 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 7 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"doxapram" 953 "Potassium channel subfamily K member 3" "Ion channel" "O14649" "KCNK3" "KCNK3_HUMAN" "Mechanism of Action; CHEMBL2321613; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1754" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1754" "BLOCKER" "Tclin" "Homo sapiens" +"doxapram" 953 "Potassium channel subfamily K member 9" "Ion channel" "Q9NPC2" "KCNK9" "KCNK9_HUMAN" "Mechanism of Action; CHEMBL2321614; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1754" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1754" "BLOCKER" "Tclin" "Homo sapiens" +"doxazosin" 954 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 9.1 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL707" "ANTAGONIST" "Tclin" "Homo sapiens" +"doxazosin" 954 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.85 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL707" "ANTAGONIST" "Tclin" "Homo sapiens" +"doxazosin" 954 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.723768042 "Ki" "DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"doxazosin" 954 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.845271793 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"doxazosin" 954 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.630784143 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"doxazosin" 954 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.54515514 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"doxazosin" 954 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.826813732 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"doxazosin" 954 "Interstitial collagenase" "Enzyme" "P03956" "MMP1" "MMP1_HUMAN" 5.240407691 "IC50" "DRUGMATRIX: Peptidase, Matrix Metalloproteinase-1 (MMP-1) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"doxazosin" 954 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 6.896196279 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808)" "DRUG MATRIX" "=" "Cavia porcellus" +"doxazosin" 954 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 9.380906669 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"doxazosin" 954 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.8 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL707" "ANTAGONIST" "Tclin" "Homo sapiens" +"doxazosin" 954 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.23 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"doxazosin" 954 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"doxazosin" 954 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.14 "Ki" "Binding affinity against Alpha-2A adrenergic receptor, from human clones." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL707" "Tclin" "Homo sapiens" +"doxazosin" 954 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.55 "Ki" "Binding affinity against Alpha-2C adrenergic receptor from human clones." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL707" "Tclin" "Homo sapiens" +"doxazosin" 954 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 8.81 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL707" "Rattus norvegicus" +"doxepin" 956 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 9.75 "Ki" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2010/022036lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"doxepin" 956 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.300162274 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"doxepin" 956 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.576754126 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"doxepin" 956 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.325138859 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"doxepin" 956 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.736127323 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"doxepin" 956 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.366531544 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"doxepin" 956 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.48148606 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"doxepin" 956 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.98 "Ki" "Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells after 1.5 hrs by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1628227" "Tchem" "Homo sapiens" +"doxepin" 956 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 11 "IC50" "Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1628227" "Rattus norvegicus" +"doxepin" 956 "Serotonin (5-HT) receptor" "GPCR" "P08909|P14842|P19327|P28564|P28565|P30940|P30994|P31388|P32305|P35364|P35365|P35563|Q62758|Q9JJ16" "Htr1a|Htr1b|Htr1d|Htr1f|Htr2a|Htr2b|Htr2c|Htr3a|Htr3b|Htr4|Htr5a|Htr5b|Htr6|Htr7" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT|5HT2A_RAT|5HT2B_RAT|5HT2C_RAT|5HT3A_RAT|5HT3B_RAT|5HT4R_RAT|5HT5A_RAT|5HT5B_RAT|5HT6R_RAT|5HT7R_RAT" 6.7 "IC50" "Compound was tested for its inhibitory activity against 5-hydroxytryptamine receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1628227" "Rattus norvegicus" +"doxepin" 956 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"doxepin" 956 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.2 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"doxepin" 956 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.45 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"doxepin" 956 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.53 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1628227" "INHIBITOR" "Tclin" "Homo sapiens" +"doxepin" 956 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"doxepin" 956 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.1249 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"doxepin" 956 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.0862 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"doxepin" 956 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.284 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"doxepin" 956 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.4202 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"doxepin" 956 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 6.79 "EC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"doxepin" 956 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.21 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"doxepin" 956 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.6289 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"doxepin" 956 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"doxepin" 956 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.17 "Kd" "WOMBAT-PK" "=" "INHIBITOR" "Tclin" "Homo sapiens" +"doxepin" 956 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.5 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"doxepin" 956 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.5 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"doxepin" 956 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.7959 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"doxepin" 956 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.5376 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"doxepin" 956 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.8861 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"doxercalciferol" 957 "Vitamin D3 receptor" "Nuclear hormone receptor" "P11473" "VDR" "VDR_HUMAN" "UNKNOWN" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200810" "AGONIST" "Tclin" "Homo sapiens" +"doxifluridine" 958 "Thymidylate synthase" "Enzyme" "P04818" "TYMS" "TYSY_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"doxorubicin" 960 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.432620692 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"doxorubicin" 960 "Caspase-1" "Enzyme" "P29466" "CASP1" "CASP1_HUMAN" 4.913925046 "IC50" "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"doxorubicin" 960 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 4.496032368 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"doxorubicin" 960 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.288445832 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"doxorubicin" 960 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.604673607 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"doxorubicin" 960 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 5.682354457 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808)" "DRUG MATRIX" "=" "Cavia porcellus" +"doxorubicin" 960 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 4.866780543 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" +"doxorubicin" 960 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 4.805041878 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"doxorubicin" 960 "Multidrug resistance-associated protein 6" "Transporter" "O95255" "ABCC6" "MRP6_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"doxorubicin" 960 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"doxorubicin" 960 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"doxorubicin" 960 "Canalicular multispecific organic anion transporter 1" "Transporter" "Q92887" "ABCC2" "MRP2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"doxorubicin" 960 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"doxorubicin" 960 "Telomerase reverse transcriptase" "Enzyme" "O14746" "TERT" "TERT_HUMAN" 4.14 "IC50" "Inhibition of telomerase from human COLO201 cell" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53463" "Tchem" "Homo sapiens" +"doxorubicin" 960 "DNA topoisomerase 2-alpha" "Enzyme" "P11388" "TOP2A" "TOP2A_HUMAN" 6 "IC50" "Inhibition human placenta topoisomerase 2 assessed as conversion of supercoiled pBR322 DNA to relaxed form" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53463" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53463" "INHIBITOR" "Tclin" "Homo sapiens" +"doxorubicin" 960 "DNA topoisomerase 1" "Enzyme" "P11387" "TOP1" "TOP1_HUMAN" 4.7 "IC50" "Inhibition of human topoisomerase 1 assessed as decrease in pBR322 mobility on agarose gel by electrophoresis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53463" "Tclin" "Homo sapiens" +"doxorubicin" 960 "Type-2 restriction enzyme HindIII" "Unclassified" "P43870" "hindIIIR" "T2D3_HAEIN" 4.02 "IC50" "Inhibition of Haemophilus influenzae Hind 3 assessed as undigested supercoiled pBR322 DNA concentration" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53463" "Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)" +"doxorubicin" 960 "Aurora kinase A" "Kinase" "O14965" "AURKA" "AURKA_HUMAN" 7.4 "IC50" "Inhibition of GST-tagged Aurora A kinase expressed in insect cells assessed as inhibition of [33P]gamma-ATP incorporation in substrate after 60 mins by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53463" "Tchem" "Homo sapiens" +"doxorubicin" 960 "Type-2 restriction enzyme ScaI" "Unclassified" "O52691" "scaIR" "T2S1_STRCS" 4.6 "IC50" "Inhibition of Streptomyces caespitosus Sca 1 assessed as undigested supercoiled pBR322 DNA concentration" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53463" "Streptomyces caespitosus" +"doxorubicin" 960 "72 kDa type IV collagenase" "Enzyme" "P08253" "MMP2" "MMP2_HUMAN" 5.96 "IC50" "Inhibitory concentration against Clostridium histolyticum Collagenase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53463" "Tchem" "Homo sapiens" +"doxorubicin" 960 "Ribonuclease pancreatic" "Enzyme" "P61823" "RNASE1" "RNAS1_BOVIN" 4.6 "IC50" "Inhibition of bovine pancreas RNase A assessed as undigested supercoiled pBR322 DNA concentration" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53463" "Bos taurus" +"doxorubicin" 960 "Integrase" "Enzyme" "Q7ZJM1" "pol" "Q7ZJM1_9HIV1" 6.05 "IC50" "Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessing" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53463" "Human immunodeficiency virus 1" +"doxorubicin" 960 "ORF 73" "Unclassified" "O40947" "O40947_HHV8" 5.84 "AC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53463" "Human herpesvirus 8" +"doxorubicin" 960 "UDP-galactopyranose mutase" "Unclassified" "P9WIQ1" "glf" "GLF_MYCTU" 4.49 "AC50" "active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53463" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"doxorubicin" 960 "Reverse transcriptase" "Enzyme" "Q9WKE8" "reverse transcriptas" "Q9WKE8_9HIV1" 4.28 "IC50" "Inhibition of HIV-1 reverse transcriptase using Poly(rA).p(dT) (12 to 18) as substrate after 30 mins by single point PCR assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53463" "Human immunodeficiency virus 1" +"doxycycline" 961 "50S ribosomal protein L10" "Ribosomal protein" "P15825" "rpl10" "RL10_HALMA" "WOMBAT-PK" "Haloarcula marismortui (strain ATCC 43049 / DSM 3752 / JCM 8966 / VKM B-1809)" +"doxycycline" 961 "Tetracycline resistance protein, class B" "Transporter" "P02980" "tetA" "TCR2_ECOLX" 5.04 "IC50" "WOMBAT-PK" "=" "Escherichia coli" +"doxycycline" 961 "Zinc finger protein mex-5" "Cytosolic other" "Q9XUB2" "mex-5" "MEX5_CAEEL" 4.42 "EC50" "WOMBAT-PK" "=" "Caenorhabditis elegans" +"doxycycline" 961 "Neutrophil collagenase" "Enzyme" "P22894" "MMP8" "MMP8_HUMAN" 4.6 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6464" "INHIBITOR" "Tclin" "Homo sapiens" +"doxycycline" 961 "72 kDa type IV collagenase" "Enzyme" "P08253" "MMP2" "MMP2_HUMAN" 4.62 "IC50" "Inhibition of human MMP2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1433" "Tchem" "Homo sapiens" +"doxycycline" 961 "Stromelysin-1" "Enzyme" "P08254" "MMP3" "MMP3_HUMAN" 4.6 "IC50" "Inhibition of human MMP3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1433" "Tchem" "Homo sapiens" +"doxycycline" 961 "Collagenase 3" "Enzyme" "P45452" "MMP13" "MMP13_HUMAN" 4.4 "IC50" "Inhibition of human MMP13" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1433" "INHIBITOR" "Tclin" "Homo sapiens" +"doxycycline" 961 "Matrilysin" "Unclassified" "P09237" "MMP7" "MMP7_HUMAN" 4.14 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6464" "INHIBITOR" "Homo sapiens" +"doxylamine" 962 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "Mechanism of Action; CHEMBL231; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1004" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1004" "ANTAGONIST" "Tclin" "Homo sapiens" +"drostanolone propionate" 965 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00858" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201048" "AGONIST" "Tclin" "Homo sapiens" +"droperidol" 966 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 9.07572078704834 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"droperidol" 966 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.60206031799316 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1108" "ANTAGONIST" "Tclin" "Homo sapiens" +"droperidol" 966 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.262807357 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"droperidol" 966 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.953895213 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"droperidol" 966 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.860120914 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"droperidol" 966 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.131943638 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1108" "ANTAGONIST" "Tclin" "Homo sapiens" +"droperidol" 966 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.068542129 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"droperidol" 966 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.623423043 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"droperidol" 966 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.995678626 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"droperidol" 966 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.027334408 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"droperidol" 966 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.279840697 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"droperidol" 966 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.270025714 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"droperidol" 966 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.782252927 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"droperidol" 966 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.591760035 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"droperidol" 966 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 9.174573882 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"droperidol" 966 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 6.199282922 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808)" "DRUG MATRIX" "=" "Cavia porcellus" +"droperidol" 966 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.009661145 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"droperidol" 966 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 5.694648631 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"droperidol" 966 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 6.13 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1108" "Tclin|Tclin|Tclin" "Homo sapiens" +"droperidol" 966 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 7.49 "IC50" "Inhibition of human Potassium channel HERG expressed in mammalian cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1108" "Tclin" "Homo sapiens" +"droperidol" 966 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.62 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1108" "Rattus norvegicus" +"droperidol" 966 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 8.78 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1108" "Rattus norvegicus" +"drospirenone" 968 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 10.5 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1509" "AGONIST" "Tclin" "Homo sapiens" +"drospirenone" 968 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 10.5 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1509" "ANTAGONIST" "Tclin" "Homo sapiens" +"drospirenone" 968 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 8.5 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"drotaverine" 969 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"drotaverine" 969 "cAMP-specific 3',5'-cyclic phosphodiesterase 4B" "Enzyme" "Q07343" "PDE4B" "PDE4B_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"droxidopa" 971 "Adrenergic receptor" "GPCR" "P07550|P08588|P08913|P13945|P18089|P18825|P25100|P35348|P35368" "ADRA1A|ADRA1B|ADRA1D|ADRA2A|ADRA2B|ADRA2C|ADRB1|ADRB2|ADRB3" "ADA1A_HUMAN|ADA1B_HUMAN|ADA1D_HUMAN|ADA2A_HUMAN|ADA2B_HUMAN|ADA2C_HUMAN|ADRB1_HUMAN|ADRB2_HUMAN|ADRB3_HUMAN" "Mechanism of Action; CHEMBL2331074; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2103827" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2103827" "AGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"duloxetine" 972 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=202" "ANTAGONIST" "Tchem" "Homo sapiens" +"duloxetine" 972 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=202" "ANTAGONIST" "Tclin" "Homo sapiens" +"duloxetine" 972 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=202" "ANTAGONIST" "Tclin" "Homo sapiens" +"duloxetine" 972 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 6.43 "IC50" "Displacement of [125I]RTI55 from DAT in Sprague-dawley rat striatum by liquid scintillation spectrophotometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1175" "Rattus norvegicus" +"duloxetine" 972 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 10.09 "Ki" "Displacement of [3H]-citalopram from Sprague-Dawley rat brain SERT after 1 hr" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1175" "Rattus norvegicus" +"duloxetine" 972 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 8.52 "Ki" "Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1175" "Rattus norvegicus" +"duloxetine" 972 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.62 "Ki" "Ability to inhibit the reuptake of dopamine at human dopamine transporter" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1175" "Tclin" "Homo sapiens" +"duloxetine" 972 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 8.22 "Ki" "Inhibition of human NET" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1175" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1175" "INHIBITOR" "Tclin" "Homo sapiens" +"duloxetine" 972 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 9.62 "Ki" "Displacement of [3H]citalopram from human SERT transfected in HEK293 cells after 3 hrs by Wallac counting analysis" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1175" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1175" "INHIBITOR" "Tclin" "Homo sapiens" +"duloxetine" 972 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.677780705 "Ki" "PDSP" "Tclin" "Homo sapiens" +"duloxetine" 972 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 5.645699438 "Ki" "PDSP" "Tclin" "Homo sapiens" +"duloxetine" 972 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.638272164 "Ki" "PDSP" "Tclin" "Homo sapiens" +"duloxetine" 972 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 5.522878745 "Ki" "PDSP" "Tclin" "Homo sapiens" +"duloxetine" 972 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 5.42794201 "Ki" "PDSP" "Tchem" "Homo sapiens" +"duloxetine" 972 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 5.402414498 "Ki" "PDSP" "Tclin" "Homo sapiens" +"duloxetine" 972 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 5.351932871 "Ki" "PDSP" "Tclin" "Homo sapiens" +"duloxetine" 972 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.301029996 "Ki" "PDSP" "Tclin" "Homo sapiens" +"dutasteride" 973 "3-oxo-5-alpha-steroid 4-dehydrogenase 1" "Enzyme" "P18405" "SRD5A1" "S5A1_HUMAN" 8.49 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200969" "INHIBITOR" "Tclin" "Homo sapiens" +"dutasteride" 973 "3-oxo-5-alpha-steroid 4-dehydrogenase 2" "Enzyme" "P31213" "SRD5A2" "S5A2_HUMAN" 9.2 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200969" "INHIBITOR" "Tclin" "Homo sapiens" +"dutasteride" 973 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 6.48000001907349 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200969" "Tclin" "Homo sapiens" +"dyclonine" 974 "Sodium channel protein type 10 subunit alpha" "Ion channel" "Q9Y5Y9" "SCN10A" "SCNAA_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00645" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200478" "BLOCKER" "Tclin" "Homo sapiens" +"dydrogesterone" 975 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 6.9 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2878" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200853" "AGONIST" "Tclin" "Homo sapiens" +"dydrogesterone" 975 "Nuclear receptor subfamily 2 group E member 1" "Nuclear hormone receptor" "Q9Y466" "NR2E1" "NR2E1_HUMAN" 4.56066751480103 "Kd" "orthogonal direct binding assay" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/24936658" "Tbio" "Homo sapiens" +"diprophylline" 976 "cAMP-specific 3',5'-cyclic phosphodiesterase 4B" "Enzyme" "Q07343" "PDE4B" "PDE4B_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1752" "INHIBITOR" "Tclin" "Homo sapiens" +"diprophylline" 976 "cGMP-inhibited 3',5'-cyclic phosphodiesterase A" "Enzyme" "Q14432" "PDE3A" "PDE3A_HUMAN" "Mechanism of Action; CHEMBL241; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1752" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1752" "INHIBITOR" "Tclin" "Homo sapiens" +"ebastine" 977 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.224389552 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ebastine" 977 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.505984625 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ebastine" 977 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.185219854 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ebastine" 977 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.340654364 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ebastine" 977 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.588380294 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ebastine" 977 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.701365217 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ebastine" 977 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.90517962 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ebastine" 977 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.991314681 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"ebastine" 977 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.471983659 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ebastine" 977 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.384049948 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ebastine" 977 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.542557159 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ebastine" 977 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.553618188 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ebastine" 977 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.862645889 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ebastine" 977 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.937418016 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ebastine" 977 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.614930224 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ebastine" 977 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.719171322 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ebastine" 977 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.396855627 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ebastine" 977 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 7.105683937 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ebastine" 977 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.743258207 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"ebastine" 977 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 6.341320971 "Ki" "DRUGMATRIX: Dopamine D4.2 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"ebastine" 977 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.060181337 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ebastine" 977 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 5.126104208 "IC50" "DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ebastine" 977 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 6.252510508 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ebastine" 977 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 6.091461368 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ebastine" 977 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.975719624 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ebastine" 977 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 6.190911869 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"ebastine" 977 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.632830511 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"ebastine" 977 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.848599502 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"ebastine" 977 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 5.871245427 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"ebastine" 977 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8 "Ki" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/2905151" "ANTAGONIST" "Tclin" "Homo sapiens" +"ebastine" 977 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.55 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ebastine" 977 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.82 "IC50" "Inhibition of human ABCB1-mediated rhodamine 123 efflux in mouse L5178 cells expressing human MDR1 after 20 mins by FACS analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL305660" "Tchem" "Homo sapiens" +"ebastine" 977 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 7.35 "IC50" "Compound is evaluated for in vitro receptor binding affinity against H1 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL305660" "Cavia porcellus" +"ebastine" 977 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.33 "IC50" "Compound is evaluated for in vitro receptor binding affinity against 5-hydroxytryptamine 1A receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL305660" "Tclin" "Homo sapiens" +"ebastine" 977 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.96 "IC50" "Compound is evaluated for in vitro receptor binding affinity against Muscarinic acetylcholine receptor M1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL305660" "Tclin" "Homo sapiens" +"ebastine" 977 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.21 "IC50" "Compound is evaluated for in vitro receptor binding affinity against Dopamine receptor D2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL305660" "Tclin" "Homo sapiens" +"ebastine" 977 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 5.58 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL305660" "Rattus norvegicus" +"ebrotidine" 979 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/8736619" "ANTAGONIST" "Tclin" "Homo sapiens" +"echothiophate" 982 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" "Mechanism of Action; CHEMBL220; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200367" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200367" "INHIBITOR" "Tclin" "Homo sapiens" +"econazole" 983 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.13053359 "Ki" "DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "Cannabinoid receptor 1" "GPCR" "P21554" "CNR1" "CNR1_HUMAN" 4.543224162 "Ki" "DRUGMATRIX: Cannabinoid CB1 radioligand binding (ligand: [3H] SR141716A)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.636200055 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.336110701 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.369673845 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 5.085868487 "Ki" "DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.78994915 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 5.051978467 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 7.301029996 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.647817482 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.617082865 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.034140063 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.938547521 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.361710465 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.202317065 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.295849483 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"econazole" 983 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.572351629 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.791827473 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.805485658 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.196542884 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.936291441 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.42136079 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.528708289 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.336110701 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.178486472 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.397940009 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 5.005594853 "Ki" "DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.736127323 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"econazole" 983 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.485319456 "Ki" "DRUGMATRIX: Dopamine D4.2 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"econazole" 983 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.359220523 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.462684727 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 6.294136288 "Ki" "DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 4.864009153 "IC50" "DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 6.698970004 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"econazole" 983 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 6.522878745 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"econazole" 983 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 4.489401377 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "Substance-P receptor" "GPCR" "P25103" "TACR1" "NK1R_HUMAN" 5.18869316 "Ki" "DRUGMATRIX: Tachykinin NK1 radioligand binding (ligand: [3H] Substance P)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 7.397940009 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"econazole" 983 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 4.915924432 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 4.856860241 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"econazole" 983 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 7.537602002 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"econazole" 983 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 5.155088126 "IC50" "DRUGMATRIX: Protease, Matrix Metalloprotease-9 (MMP-9) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"econazole" 983 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.696587929 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"econazole" 983 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.170696227 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"econazole" 983 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 4.999305684 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"econazole" 983 "Melanocortin receptor 5" "GPCR" "P33032" "MC5R" "MC5R_HUMAN" 4.430754876 "Ki" "DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"econazole" 983 "Melanocortin receptor 3" "GPCR" "P41968" "MC3R" "MC3R_HUMAN" 4.502710894 "Ki" "DRUGMATRIX: Melanocortin MC3 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"econazole" 983 "Neuropeptide Y receptor type 2" "GPCR" "P49146" "NPY2R" "NPY2R_HUMAN" 4.959081349 "Ki" "DRUGMATRIX: Neuropeptide Y Y2 radioligand binding (ligand: [125I] Peptide YY)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"econazole" 983 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 5.498393078 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"econazole" 983 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 5.875495775 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"econazole" 983 "Beta-lactamase" "Enzyme" "P00811" "ampC" "AMPC_ECOLI" 4.6 "IC50" "Compound was tested for the inhibition of beta-lactamase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL808" "Escherichia coli (strain K12)" +"econazole" 983 "Lanosterol 14-alpha demethylase" "Enzyme" "Q16850" "CYP51A1" "CP51A_HUMAN" 7.3 "IC50" "Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL808" "Tchem" "Homo sapiens" +"econazole" 983 "Lanosterol 14-alpha demethylase" "Enzyme" "P9WPP9" "cyp51" "CP51_MYCTU" 6.7 "Kd" "Binding affinity to Mycobacterium tuberculosis CYP51" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL808" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"econazole" 983 "Malate dehydrogenase cytoplasmic " "Enzyme" "P40925" "MDH1" "MDHC_HUMAN" 4.6 "IC50" "Inhibition of malate dehydrogenase (MDH)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL808" "Tbio" "Homo sapiens" +"econazole" 983 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P28776" "Ido1" "I23O1_MOUSE" 4.95 "IC50" "Inhibition of mouse Ido1 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL808" "Mus musculus" +"econazole" 983 "Steroid 17-alpha-hydroxylase/17,20 lyase" "Enzyme" "P05093" "CYP17A1" "CP17A_HUMAN" 6.49 "Ki" "In vitro inhibition of human Cytochrome P450 17A1 activity" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL808" "Tclin" "Homo sapiens" +"econazole" 983 "Indoleamine 2,3-dioxygenase 2" "Enzyme" "Q8R0V5" "Ido2" "I23O2_MOUSE" 5.12 "IC50" "Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL808" "Mus musculus" +"econazole" 983 "Lanosterol 14-alpha demethylase" "Enzyme" "P10613" "ERG11" "CP51_CANAL" "Mechanism of Action; CHEMBL1780; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL808" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL808" "INHIBITOR" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"econazole" 983 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P14902" "IDO1" "I23O1_HUMAN" 5.09000015258789 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL808" "Tchem" "Homo sapiens" +"econazole" 983 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 4.79 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL808" "Rattus norvegicus" +"econazole" 983 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 4.67 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL808" "Rattus norvegicus" +"edatrexate" 986 "Folylpolyglutamate synthase, mitochondrial" "Enzyme" "Q05932" "FPGS" "FOLC_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"edatrexate" 986 "Dihydrofolate reductase" "Enzyme" "P00374" "DHFR" "DYR_HUMAN" 8.36 "IC50" "WOMBAT-PK" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D03942" "INHIBITOR" "Tclin" "Homo sapiens" +"edatrexate" 986 "Dihydrofolate reductase" "Enzyme" "P00381" "folA" "DYR_LACCA" 8.42 "IC50" "Compound was tested for the inhibition of dihydrofolate reductase in Bovine liver" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL296373" "Lactobacillus casei" +"edatrexate" 986 "Dihydrofolate reductase" "Enzyme" "P00375" "Dhfr" "DYR_MOUSE" 6 "Ki" "Binding affinity towards Dihydrofolate reductase derived from L1210 cells using [3H]- MTX as the radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL296373" "Mus musculus" +"edetic acid" 987 "Beta-lactamase" "Enzyme" "Q79MP6" "blaIMP-1" "Q79MP6_PSEAI" 4.55 "IC50" "Inhibition of recombinant Pseudomonas aeruginosa MBL IMP-1 using nitrocefin as substrate after 12 hrs by UV-spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL858" "Pseudomonas aeruginosa" +"edetic acid" 987 "cAMP-specific 3',5'-cyclic phosphodiesterase 4B" "Unclassified" "J3SE37" "J3SE37_CROAD" 4.13 "IC50" "Inhibition of Serpentes (snake) venom phosphodiesterase using bis(p-nitrophenyl)phosphate as substrate incubated for 30 min prior to substrate addition by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL858" "Crotalus adamanteus" +"edetic acid" 987 "Beta-lactamase VIM-1; Class B carbapenemase VIM-1; Metallo-beta-lactamase; Metallo-beta-lactamase VIM-1; Metallobeta-lactamase; VIM-1; VIM-1 metallo-beta lactamase; VIM-1 metallo-beta-lactamase; VIM-1" "Unclassified" "Q9XAY4" "blaVIM" "Q9XAY4_PSEAI" 5.03 "IC50" "Inhibition of Pseudomonas aeruginosa VIM-1 beta-lactamase after 10 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL858" "Pseudomonas aeruginosa" +"edetic acid" 987 "Ceramide glucosyltransferase" "Enzyme" "Q16739" "UGCG" "CEGT_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"edetic acid" 987 "lead" "Inorganic material" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2009/008922s016lbl.pdf" "CHELATING AGENT" +"edetic acid" 987 "calcium" "Inorganic material" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2009/008922s016lbl.pdf" "CHELATING AGENT" +"edrophonium" 988 "Acetylcholinesterase" "Enzyme" "P23795" "ACHE" "ACES_BOVIN" 6.7 "Ki" "Binding affinity against Acetylcholinesterase of purified calf forebrain (CFB)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1104" "Bos taurus" +"edrophonium" 988 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 8.79 "Ki" "Inhibition constant determined against Acetylcholinesterase (AChE) receptor." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1104" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1104" "INHIBITOR" "Tclin" "Homo sapiens" +"efavirenz" 989 "Gag-Pol polyprotein" "Polyprotein" "P03369" "gag-pol" "POL_HV1A2" 8.3 "IC50" "WOMBAT-PK" "=" "INHIBITOR" "Human immunodeficiency virus type 1 group M subtype B (isolate ARV2/SF2)" +"efavirenz" 989 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" 8.52 "Ki" "Binding affinity towards wild type HIV-1 reverse transcriptase (as per ref 10 in the article)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL223228" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL223228" "INHIBITOR" "Human immunodeficiency virus 1" +"efavirenz" 989 "Reverse transcriptase" "Enzyme" "Q9WKE8" "reverse transcriptas" "Q9WKE8_9HIV1" 8.89 "IC50" "Inhibition of wild type Human immunodeficiency virus 1 reverse transcriptase after 30 min by fluorescence microplate reader analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL223228" "Human immunodeficiency virus 1" +"efavirenz" 989 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"eflornithine" 990 "Ornithine decarboxylase" "Enzyme" "Q9TZZ6" "Q9TZZ6_TRYBG" "Mechanism of Action" "DRUG LABEL" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/3924048" "INHIBITOR" "Trypanosoma brucei gambiense" +"eflornithine" 990 "Ornithine decarboxylase" "Unclassified" "P09057" "Odc1" "DCOR_RAT" 4.41 "Ki" "The apparent dissociation constant for irreversible inhibition of rat liver ornithine decarboxylase (ODC)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL830" "Rattus norvegicus" +"eflornithine" 990 "Ornithine decarboxylase" "Enzyme" "P11926" "ODC1" "DCOR_HUMAN" 4.89 "Kd" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=5176" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL830" "INHIBITOR" "Tclin" "Homo sapiens" +"efonidipine" 992 "Voltage-dependent T-type calcium channel subunit alpha-1G" "Ion channel" "O54898" "Cacna1g" "CAC1G_RAT" 7 "IC50" "IUPHAR" "=" "BLOCKER" "Rattus norvegicus" +"efonidipine" 992 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 6.62105751037598 "IC50" "HEK-293 cells stably expressing hCav3.2 T-type Ca2+ channels" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/21466810" "BLOCKER" "Tclin" "Homo sapiens" +"efonidipine" 992 "Voltage-gated L-type calcium channel" "Ion channel" "Q01668|Q13936" "CACNA1C|CACNA1D" "CAC1C_HUMAN|CAC1D_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/17276408" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"eletriptan" 995 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=40" "AGONIST" "Tclin" "Homo sapiens" +"eletriptan" 995 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=40" "AGONIST" "Tclin" "Homo sapiens" +"eletriptan" 995 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 7.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=40" "AGONIST" "Tchem" "Homo sapiens" +"eletriptan" 995 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 8.52 "Kd" "GRAC: human 5-HT1B probe" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1510" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1510" "AGONIST" "Tclin" "Homo sapiens" +"eletriptan" 995 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 9.05 "Kd" "GRAC: human 5-HT1D probe" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1510" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1510" "AGONIST" "Tclin" "Homo sapiens" +"elliptinium" 996 "Fibroblast growth factor receptor 3" "Kinase" "P22607" "FGFR3" "FGFR3_HUMAN" 6.3 "IC50" "Inhibitory activity against Fibroblast growth factor receptor 3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL16699" "Tclin" "Homo sapiens" +"elliptinium" 996 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 6.4 "IC50" "Inhibitory concentration against c-Kit wild type expressed in recombinant baculovirus" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL16699" "Tclin" "Homo sapiens" +"elliptinium" 996 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 6.15 "IC50" "Inhibitory activity against Platelet-derived growth factor receptor alpha" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL16699" "Tclin" "Homo sapiens" +"eltanolone" 997 "GABA-A receptor; anion channel" "Ion channel" "O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14" "Gabra1|Gabra2|Gabra3|Gabra4|Gabra5|Gabra6|Gabrb1|Gabrb2|Gabrb3|Gabrd|Gabre|Gabrg1|Gabrg2|Gabrg3|Gabrp|Gabrq" "GBRA1_RAT|GBRA2_RAT|GBRA3_RAT|GBRA4_RAT|GBRA5_RAT|GBRA6_RAT|GBRB1_RAT|GBRB2_RAT|GBRB3_RAT|GBRD_RAT|GBRE_RAT|GBRG1_RAT|GBRG2_RAT|GBRG3_RAT|GBRP_RAT|Q91ZM7_RAT" 7.36 "IC50" "Allosteric modulation of [35S]TBPS binding to Gamma-aminobutyric acid A receptor in rat brain cortical P2 membranes (inhibits binding with two components)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL210952" "Rattus norvegicus" +"eltanolone" 997 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 7.301 "IC50" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin" "Homo sapiens" +"emedastine" 999 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.88605690002441 "Ki" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2003/20706slr011_emadine_lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2003/20706slr011_emadine_lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"emetine" 1001 "SARS-CoV-2" "Virus" 6.34 "EC50" "Activity determined against Vero E6 cells" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/32251767" "INHIBITOR" +"emetine" 1001 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.853871964 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"emetine" 1001 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.585026652 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"emetine" 1001 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.578067187 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"emetine" 1001 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 5.970210529 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"emetine" 1001 "Putative hydrolase RBBP9" "Enzyme" "O75884" "RBBP9" "RBBP9_HUMAN" 5.11 "IC50" "Displacement of fluorophosphate-rhodamine from RBBP9 transfected in human HEK293T cells proteomes after 30 mins by SDS-PAGE gel fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50588" "Tchem" "Homo sapiens" +"emetine" 1001 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 5.19 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50588" "Rattus norvegicus" +"emtricitabine" 1003 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" "Mechanism of Action; CHEMBL247; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL885" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL885" "INHIBITOR" "Human immunodeficiency virus 1" +"enalapril" 1005 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 4.3 "IC50" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6322" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6322" "INHIBITOR" "Tclin" "Homo sapiens" +"enalapril" 1005 "Angiotensin-converting enzyme" "Enzyme" "P12822" "ACE" "ACE_RABIT" 6.1 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL578" "Oryctolagus cuniculus" +"enalapril" 1005 "Angiotensin-converting enzyme" "Enzyme" "P47820" "Ace" "ACE_RAT" 6.85 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL578" "Rattus norvegicus" +"enalaprilat" 1006 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 7.5 "IC50" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6332" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6332" "INHIBITOR" "Tclin" "Homo sapiens" +"enalaprilat" 1006 "Angiotensin-converting enzyme" "Enzyme" "P12822" "ACE" "ACE_RABIT" 8.85 "Ki" "Inhibitory activity against rabbit lung angiotensin-1 converting enzyme" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL577" "Oryctolagus cuniculus" +"enalaprilat" 1006 "Angiotensin-converting enzyme 2" "Enzyme" "Q5EGZ1" "Ace2" "ACE2_RAT" 9.3 "Ki" "Binding affinity towards Angiotensin I converting enzyme of rat brain IgG immobilized enzyme." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL577" "Rattus norvegicus" +"enalaprilat" 1006 "Angiotensin-converting enzyme" "Enzyme" "P47820" "Ace" "ACE_RAT" 9.02 "IC50" "Compound was tested for inhibitory activity against angiotensin I converting enzyme" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL577" "Rattus norvegicus" +"encainide" 1007 "Sodium channel subunit beta-4" "Ion channel" "Q8IWT1" "SCN4B" "SCN4B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"encainide" 1007 "Sodium channel subunit beta-3" "Ion channel" "Q9NY72" "SCN3B" "SCN3B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"encainide" 1007 "Sodium channel subunit beta-2" "Ion channel" "O60939" "SCN2B" "SCN2B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"encainide" 1007 "Sodium channel subunit beta-1" "Ion channel" "Q07699" "SCN1B" "SCN1B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"encainide" 1007 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"endralazine" 1008 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"enflurane" 1009 "Potassium channel subfamily K member 10" "Ion channel" "P57789" "KCNK10" "KCNKA_HUMAN" "Mechanism of Action; CHEMBL2331041; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1257" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1257" "OPENER" "Tclin" "Homo sapiens" +"enflurane" 1009 "Potassium channel subfamily K member 18" "Ion channel" "Q7Z418" "KCNK18" "KCNKI_HUMAN" "Mechanism of Action; CHEMBL2331042; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1257" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1257" "OPENER" "Tclin" "Homo sapiens" +"enflurane" 1009 "Potassium channel subfamily K member 3" "Ion channel" "O14649" "KCNK3" "KCNK3_HUMAN" "Mechanism of Action; CHEMBL2321613; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1257" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1257" "OPENER" "Tclin" "Homo sapiens" +"enflurane" 1009 "Potassium channel subfamily K member 9" "Ion channel" "Q9NPC2" "KCNK9" "KCNK9_HUMAN" "Mechanism of Action; CHEMBL2321614; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1257" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1257" "OPENER" "Tclin" "Homo sapiens" +"enflurane" 1009 "Potassium channel subfamily K member 2" "Ion channel" "O95069" "KCNK2" "KCNK2_HUMAN" "Mechanism of Action; CHEMBL2321615; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1257" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1257" "OPENER" "Tclin" "Homo sapiens" +"enflurane" 1009 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1257" "POSITIVE MODULATOR" "Tclin" "Homo sapiens" +"enfuvirtide" 1010 "Envelope glycoprotein" "Viral envelope protein" "Q53I07" "gp41" "Q53I07_9HIV1" "WOMBAT-PK" "Human immunodeficiency virus 1" +"enfuvirtide" 1010 "Transmembrane glycoprotein gp41" "Membrane other" "O40239" "env" "O40239_9PLVG" "Mechanism of Action; CHEMBL2362987; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL525076" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL525076" "INHIBITOR" "Human immunodeficiency virus" +"enfuvirtide" 1010 "GP41" "Unclassified" "Q76270" "HIV1 ENV" "Q76270_9HIV1" 8 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL525076" "Human immunodeficiency virus 1" +"enoxacin" 1013 "DNA gyrase subunit A" "Enzyme" "P43700" "gyrA" "GYRA_HAEIN" "WOMBAT-PK" "Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)" +"enoxacin" 1013 "V-type proton ATPase subunit B, brain isoform" "Enzyme" "P21281" "ATP6V1B2" "VATB2_HUMAN" 5 "IC50" "Inhibition of maltose binding protein-fused human V-ATPase subunit B2 binding to F-actin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL826" "Tbio" "Homo sapiens" +"enoxacin" 1013 "Topoisomerase IV" "Enzyme" "P48374|Q5EP76" "parC|topB" "PARC_NEIGO|Q5EP76_NEIGO" "Mechanism of Action; CHEMBL2363077; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL826" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL826" "INHIBITOR" "Neisseria gonorrhoeae" +"enoxacin" 1013 "DNA gyrase" "Enzyme" "P22118|P48371" "gyrA|gyrB" "GYRA_NEIGO|GYRB_NEIGO" "Mechanism of Action; CHEMBL2311244; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL826" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL826" "INHIBITOR" "Neisseria gonorrhoeae" +"enoximone" 1014 "Phosphodiesterase 4" "Enzyme" "P27815|Q07343|Q08493|Q08499" "PDE4A|PDE4B|PDE4C|PDE4D" "PDE4A_HUMAN|PDE4B_HUMAN|PDE4C_HUMAN|PDE4D_HUMAN" 5.54 "IC50" "Inhibition of canine heart Phosphodiesterase 4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL249856" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"enoximone" 1014 "cGMP-inhibited 3',5'-cyclic phosphodiesterase A" "Enzyme" "Q14432" "PDE3A" "PDE3A_HUMAN" 5.3449 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"enprofylline" 1015 "Adenosine receptor A2b" "GPCR" "P29275" "ADORA2B" "AA2BR_HUMAN" 5.33 "Ki" "Binding affinity at human Adenosine A2B receptor expressed in HEK293 cells, using [125I]ABOPX as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL279898" "Tclin" "Homo sapiens" +"enprofylline" 1015 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 4.03 "Ki" "Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL279898" "Tchem" "Homo sapiens" +"enprofylline" 1015 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 4.49 "Ki" "Binding affinity at Adenosine A1 receptor in rat brain cortical membrane using [3H]N6-R-phenylisopropyladenosine (R-PIA) as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL279898" "Rattus norvegicus" +"enprofylline" 1015 "Adenosine A2a receptor" "Unclassified" "P46616" "ADORA2A" "AA2AR_CAVPO" 4.04 "Ki" "Affinity against adenosine A2 receptor in the brain membranes measured by the displacement of [3H]-CPX" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL279898" "Cavia porcellus" +"enprofylline" 1015 "Adenosine receptor A2a" "GPCR" "P30543" "Adora2a" "AA2AR_RAT" 4.49 "Ki" "Binding affinity to rat adenosine A2A receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL279898" "Rattus norvegicus" +"enprofylline" 1015 "Adenosine receptor A3" "GPCR" "P28647" "Adora3" "AA3R_RAT" 4.19 "Ki" "Binding affinity to rat adenosine A3 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL279898" "Rattus norvegicus" +"enprofylline" 1015 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 4.49 "Ki" "Binding affinity to human adenosine A2A receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL279898" "Tclin" "Homo sapiens" +"enprofylline" 1015 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 4.38 "Ki" "Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL279898" "Tclin" "Homo sapiens" +"enprofylline" 1015 "Adenosine receptor A1" "GPCR" "P47745" "ADORA1" "AA1R_CAVPO" 4.22 "Ki" "Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]CPX." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL279898" "Cavia porcellus" +"enprofylline" 1015 "cAMP-specific 3',5'-cyclic phosphodiesterase 4B" "Enzyme" "Q07343" "PDE4B" "PDE4B_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"enprostil" 1016 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P35408" "PTGER4" "PE2R4_HUMAN" 7.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1918" "AGONIST" "Tclin" "Homo sapiens" +"enprostil" 1016 "Prostaglandin F2-alpha receptor" "GPCR" "P43088" "PTGFR" "PF2R_HUMAN" 7.1 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1918" "AGONIST" "Tclin" "Homo sapiens" +"enprostil" 1016 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P43115" "PTGER3" "PE2R3_HUMAN" 7.9 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"enprostil" 1016 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P34995" "PTGER1" "PE2R1_HUMAN" 7.5 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"enprostil" 1016 "Prostacyclin receptor" "GPCR" "P43119" "PTGIR" "PI2R_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"enprostil" 1016 "Prostaglandin E2 receptor EP3 subtype" "Unclassified" "P34980" "Ptger3" "PE2R3_RAT" 7.13 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1918" "AGONIST" "Rattus norvegicus" +"enprostil" 1016 "Prostaglandin E2 receptor EP1 subtype" "Unclassified" "P70597" "Ptger1" "PE2R1_RAT" 6.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1918" "AGONIST" "Rattus norvegicus" +"entacapone" 1018 "Catechol O-methyltransferase" "Enzyme" "P21964" "COMT" "COMT_HUMAN" 9.52287864685059 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "CHEMBL" "http://www.ncbi.nlm.nih.gov/pubmed/7703232" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL953" "INHIBITOR" "Tclin" "Homo sapiens" +"entacapone" 1018 "Catechol O-methyltransferase" "Enzyme" "P22734" "Comt" "COMT_RAT" 7.89 "IC50" "Inhibition of Catechol O-methyltransferase activity in rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL953" "Rattus norvegicus" +"entacapone" 1018 "G-protein coupled receptor 35" "GPCR" "Q9HC97" "GPR35" "GPR35_HUMAN" 5.25 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL953" "Tchem" "Homo sapiens" +"entecavir" 1019 "Protein P" "Polyprotein" "P17394" "P" "DPOL_HBVB1" "WOMBAT-PK" "Hepatitis B virus genotype B1 subtype adw (isolate Japan/pJDW233/1988)" +"entecavir" 1019 "Protein P" "Polyprotein" "Q9IF40" "P" "Q9IF40_HBV" "Mechanism of Action; CHEMBL2362994; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL713" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL713" "INHIBITOR" "Hepatitis B virus" +"epalrestat" 1021 "Aldose reductase" "Enzyme" "P15121" "AKR1B1" "ALDR_HUMAN" 7.6778 "IC50" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/3025043" "INHIBITOR" "Tclin" "Homo sapiens" +"epalrestat" 1021 "Aldose reductase" "Enzyme" "P16116" "AKR1B1" "ALDR_BOVIN" 6.77 "IC50" "Inhibition of bovine lens aldose reductase assessed as inhibition of NDAPH oxidation by non-linear regression analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL56337" "Bos taurus" +"epalrestat" 1021 "Sorbitol dehydrogenase" "Enzyme" "Q00796" "SORD" "DHSO_HUMAN" 4.17 "IC50" "Inhibition sorbitol dehydrogenase by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL56337" "Tchem" "Homo sapiens" +"epalrestat" 1021 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 8 "IC50" "Inhibition of crude aldose reductase of rat lens" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL56337" "Rattus norvegicus" +"epalrestat" 1021 "Alcohol dehydrogenase [NADP(+)]" "Enzyme" "P14550" "AKR1A1" "AK1A1_HUMAN" 5.59 "IC50" "Inhibition of N-terminal 6His-tagged human aldehyde reductase expressed in Escherichia coli BL21(DE3) mediated D-glucuronate reduction" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL56337" "Tchem" "Homo sapiens" +"epalrestat" 1021 "Alcohol dehydrogenase [NADP(+)]" "Enzyme" "P51635" "Akr1a1" "AK1A1_RAT" 5.82 "IC50" "In vitro inhibitory activity against rat kidney aldehyde reductase(ALR)." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL56337" "Rattus norvegicus" +"epalrestat" 1021 "Aldo-keto reductase family 1 member B10" "Enzyme" "O60218" "AKR1B10" "AK1BA_HUMAN" 6.48 "IC50" "Inhibition of reductase activity of N-terminal 6His-tagged AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as inhibition of NADPH linked pyridine-3-aldehyde reduction" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL56337" "Tchem" "Homo sapiens" +"epalrestat" 1021 "Alcohol dehydrogenase [NADP(+)]" "Enzyme" "P50578" "AKR1A1" "AK1A1_PIG" 5.82 "IC50" "Selectivity ratio measured as the IC50 ratio of aldehyde/aldose reductase values" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL56337" "Sus scrofa" +"eperisone" 1022 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 8.769551079 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"eperisone" 1022 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.858550227 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"eperisone" 1022 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.080398976 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"eperisone" 1022 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.309502677 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ephedrine" 1024 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.6 "Ki" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=556" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=556" "AGONIST" "Tclin" "Homo sapiens" +"epinastine" 1027 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.9 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1106" "ANTAGONIST" "Tclin" "Homo sapiens" +"epinastine" 1027 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 8.8 "IC50" "Potency against histamine H1 receptor on guinea pig ileum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1106" "Cavia porcellus" +"epinastine" 1027 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 4.53 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1106" "Tchem" "Homo sapiens" +"epinastine" 1027 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.96 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1106" "Tchem" "Homo sapiens" +"epinastine" 1027 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.37 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1106" "Tchem" "Homo sapiens" +"epinastine" 1027 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"epinastine" 1027 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"epinastine" 1027 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"epinastine" 1027 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"epinastine" 1027 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"epinastine" 1027 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"epinephrine" 1028 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" "UNKNOWN" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL679" "AGONIST" "Tclin" "Homo sapiens" +"epinephrine" 1028 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" "UNKNOWN" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL679" "AGONIST" "Tclin" "Homo sapiens" +"epinephrine" 1028 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.559090918 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL679" "AGONIST" "Tclin" "Homo sapiens" +"epinephrine" 1028 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.401209493 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL679" "AGONIST" "Tclin" "Homo sapiens" +"epinephrine" 1028 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.448550002 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL679" "AGONIST" "Tclin" "Homo sapiens" +"epinephrine" 1028 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.484258583 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" +"epinephrine" 1028 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.010105436 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"epinephrine" 1028 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 7.89 "Ki" "Binding of [3H]clonidine to alpha-2-adrenergic receptor of rat cerebral cortical membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL679" "Rattus norvegicus" +"epinephrine" 1028 "Beta-2 adrenergic receptor" "GPCR" "P54833" "ADRB2" "ADRB2_CANFA" 6.18 "Ki" "Binding of [3H]dihydroalprenolol to beta-2 adrenergic receptor of rat cerebral cortical membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL679" "Canis familiaris" +"epinephrine" 1028 "Adrenergic receptor beta" "GPCR" "P10608|P18090|P26255" "Adrb1|Adrb2|Adrb3" "ADRB1_RAT|ADRB2_RAT|ADRB3_RAT" 4.54 "IC50" "Binding affinity against Beta adrenergic receptor using [3H]dihydroalprenolol radioligand in rat brain homogenate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL679" "Rattus norvegicus" +"epinephrine" 1028 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 4.26 "Kd" "Equilibrium dissociation constant against recombinant Dopamine receptor D1A expressed in COS7 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL679" "Tclin" "Homo sapiens" +"epinephrine" 1028 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 5.4 "Ki" "Compound was evaluated for binding affinity towards mu-specific opiate receptor from combinatorial peptoid library" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL679" "Rattus norvegicus" +"epinephrine" 1028 "Beta-1 adrenergic receptor" "GPCR" "P18090" "Adrb1" "ADRB1_RAT" 5.96 "Ki" "Binding of [3H]dihydroalprenolol to beta-1 adrenergic receptor of rat cerebral cortical membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL679" "Rattus norvegicus" +"epinephrine" 1028 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.2 "Kd" "Binding affinity to human adrenergic beta2 receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL679" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL679" "AGONIST" "Tclin" "Homo sapiens" +"epinephrine" 1028 "Beta-2 adrenergic receptor" "GPCR" "P10608" "Adrb2" "ADRB2_RAT" 6.14 "Ki" "Binding affinity against adrenergic beta 2 receptor versus 1 nM [3H]dihydroalprenolol in rat cerebral cerebellar membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL679" "Rattus norvegicus" +"epinephrine" 1028 "Beta-1 adrenergic receptor" "GPCR" "B0FL73" "ADRB1" "B0FL73_CAVPO" 5.52 "Ki" "Binding affinity against beta-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of Dihydro-[3H]-alprenolol" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL679" "Cavia porcellus" +"epinephrine" 1028 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 5.7 "Ki" "Binding affinity against alpha-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of [3H]- WB-4101" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL679" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL679" "AGONIST" "Tclin" "Homo sapiens" +"epinephrine" 1028 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.434152181 "Ki" "PDSP" "Tclin" "Homo sapiens" +"epinephrine" 1028 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.401209493 "Ki" "PDSP" "Tclin" "Homo sapiens" +"epinephrine" 1028 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 6.2 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL679" "Rattus norvegicus" +"epinephrine" 1028 "M18 aspartyl aminopeptidase" "Unclassified" "Q8I2J3" "Q8I2J3_PLAF7" 5.52 "IC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL679" "Plasmodium falciparum (isolate 3D7)" +"epirubicin" 1030 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.285586408 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"epirubicin" 1030 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 5.878440156 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808)" "DRUG MATRIX" "=" "Cavia porcellus" +"epirubicin" 1030 "NS3" "Enzyme" "A3EZI9" "NS3" "A3EZI9_9HEPC" 6.12 "IC50" "Inhibitory concentration against hepatitis C virus helicase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL417" "Hepatitis C virus" +"epirubicin" 1030 "DNA" "DNA" "forms a complex with DNA by intercalation between base pairs resulting in inhibition of DNA and RNA synthesis" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/050778s021lbl.pdf" "OTHER" +"eplerenone" 1032 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 7 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1095097" "ANTAGONIST" "Tclin" "Homo sapiens" +"eplerenone" 1032 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 4.74 "IC50" "Antagonist activity at glucocorticoid receptor (unknown origin) by NH Pro assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1095097" "Tclin" "Homo sapiens" +"epoprostenol" 1034 "Prostacyclin receptor" "GPCR" "P43119" "PTGIR" "PI2R_HUMAN" 7.8 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL962" "AGONIST" "Tclin" "Homo sapiens" +"epoprostenol" 1034 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P35408" "PTGER4" "PE2R4_HUMAN" 5.1 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" +"epoprostenol" 1034 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P34995" "PTGER1" "PE2R1_HUMAN" 4.8 "Ki" "IUPHAR" "=" 1 "IUPHAR" "AGONIST" "Tclin" "Homo sapiens" +"epoprostenol" 1034 "P2Y purinoceptor 12" "GPCR" "Q9H244" "P2RY12" "P2Y12_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"eprosartan" 1037 "Angiotensin II receptor" "GPCR" "P25095|P29089|P35351" "Agtr1|Agtr1b|Agtr2" "AGTR2_RAT|AGTRA_RAT|AGTRB_RAT" 9 "IC50" "Inhibition of [125I]AII binding to Angiotensin II receptor, type 1 of rat mesenteric arteries" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL813" "Rattus norvegicus" +"eprosartan" 1037 "Type-1 angiotensin II receptor" "GPCR" "P30556" "AGTR1" "AGTR1_HUMAN" 8.7 "IC50" "Tested for Angiotensin II receptor, type 1 affinity in the absence of bovine serum albumin (BSA)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL813" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL813" "ANTAGONIST" "Tclin" "Homo sapiens" +"eprosartan" 1037 "Type-1B angiotensin II receptor" "GPCR" "P29089" "Agtr1b" "AGTRB_RAT" 9 "IC50" "Tested for inhibition of [125I]- AII specific binding to rat mesenteric arteries, expressed as IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL813" "Rattus norvegicus" +"eprosartan" 1037 "Type-2 angiotensin II receptor" "GPCR" "P35351" "Agtr2" "AGTR2_RAT" 9 "IC50" "In vitro inhibition of [125I]AII specific binding towards Angiotensin II receptor in rat mesenteric membranes." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL813" "Rattus norvegicus" +"eprosartan" 1037 "Angiotensin II receptor (AT-1) type-1" "GPCR" "P25095|P29089" "Agtr1|Agtr1b" "AGTRA_RAT|AGTRB_RAT" 9 "IC50" "Compound was tested for inhibition of 125 I-Angiotensin II specific binding to rat mesenteric arteries" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL813" "Rattus norvegicus" +"eptifibatide" 1040 "Integrin alpha-IIb/beta-3" "Adhesion" "P05106|P08514" "ITGA2B|ITGB3" "ITA2B_HUMAN|ITB3_HUMAN" 6.24412536621094 "IC50" "platelet aggregation inhibition in plasma anticoagulated PPACK" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/9315536" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/020718s037lbl.pdf" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"ergometrine" 1042 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.530177984 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ergometrine" 1042 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.200659451 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ergometrine" 1042 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.333482019 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ergometrine" 1042 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.580044252 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ergometrine" 1042 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.958607315 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ergometrine" 1042 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 8.823908741 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"ergometrine" 1042 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.879426069 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ergometrine" 1042 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.714442691 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ergometrine" 1042 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 8.88941029 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"ergometrine" 1042 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 7.7 "EC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"ergometrine" 1042 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 6.3665 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ergometrine" 1042 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 9 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ergometrine" 1042 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.5 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ergometrine" 1042 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ergometrine" 1042 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 8.09 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL119443" "Rattus norvegicus" +"ergometrine" 1042 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 8.5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=148" "AGONIST" "Rattus norvegicus" +"ergotamine" 1043 "5-hydroxytryptamine receptor 5A" "Unclassified" "P30966" "Htr5a" "5HT5A_MOUSE" 8.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=149" "ANTAGONIST" "Mus musculus" +"ergotamine" 1043 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 8.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=149" "AGONIST" "Rattus norvegicus" +"ergotamine" 1043 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=149" "AGONIST" "Tclin" "Homo sapiens" +"ergotamine" 1043 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 8.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=149" "AGONIST" "Tchem" "Homo sapiens" +"ergotamine" 1043 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 6.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=149" "AGONIST" "Tchem" "Homo sapiens" +"ergotamine" 1043 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=149" "AGONIST" "Tclin" "Homo sapiens" +"ergotamine" 1043 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=149" "AGONIST" "Tclin" "Homo sapiens" +"ergotamine" 1043 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 6.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=149" "AGONIST" "Tclin" "Homo sapiens" +"ergotamine" 1043 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.621238825 "Ki" "DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ergotamine" 1043 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.721703792 "Ki" "DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ergotamine" 1043 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.063486258 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ergotamine" 1043 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.844663963 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ergotamine" 1043 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 9.099086932 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ergotamine" 1043 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ergotamine" 1043 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 9.353596274 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ergotamine" 1043 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 8.754487332 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ergotamine" 1043 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.835647144 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ergotamine" 1043 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 8.742321425 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ergotamine" 1043 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.4867824 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ergotamine" 1043 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 5.187153463 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ergotamine" 1043 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.500312917 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ergotamine" 1043 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.513711239 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"ergotamine" 1043 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 6.578396073 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808)" "DRUG MATRIX" "=" "Cavia porcellus" +"ergotamine" 1043 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.341988603 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"ergotamine" 1043 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 10.04095861 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"ergotamine" 1043 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" "AGONIST" "Tclin" "Homo sapiens" +"ergotamine" 1043 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 6.769551079 "Ki" "PDSP" "Tchem" "Homo sapiens" +"ergotamine" 1043 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.064492734 "Ki" "PDSP" "Tclin" "Homo sapiens" +"ergotamine" 1043 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.040481623 "Ki" "PDSP" "Tclin" "Homo sapiens" +"ergotamine" 1043 "Cholecystokinin A receptor" "GPCR" "O08786" "Cckar" "CCKAR_MOUSE" 4.47 "IC50" "Concentration of compound required to inhibit binding of [125I]J-BH-CCK-8 radioligand to CCKA in mouse pancreatic membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL442" "Mus musculus" +"ergotamine" 1043 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 8.68 "Ki" "Displacement of [3H]carboxytryptamine from recombinant human 5-HT1B receptor expressed in HEK cells by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL442" "Tclin" "Homo sapiens" +"ergotamine" 1043 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 9.1 "Ki" "Compound was evaluated for its binding affinity towards human 5-hydroxytryptamine 1D receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL442" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL442" "AGONIST" "Tclin" "Homo sapiens" +"ergotamine" 1043 "Adenylate cyclase" "Unclassified" "O32393" "cyaC" "O32393_ARTPT" 4.15 "IC50" "Inhibition of Spirulina platensis adenylyl cyclase assessed as cAMP level by cAMP immunogenic assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL442" "Arthrospira platensis" +"ergotamine" 1043 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 7.85 "Ki" "Displacement of [3H]LSD from 5-HT5A receptor after 1.5 hrs by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL442" "Tchem" "Homo sapiens" +"ergotamine" 1043 "Gastrin/cholecystokinin type B receptor" "GPCR" "P56481" "Cckbr" "GASR_MOUSE" 4.77 "IC50" "Concentration of compound required to inhibit binding of [125I]J-BH-CCK-8 radioligand to CCKB in mouse fore brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL442" "Mus musculus" +"ergotamine" 1043 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 9.11 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL442" "Rattus norvegicus" +"ergotamine" 1043 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 8.09 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL442" "Rattus norvegicus" +"ergotamine" 1043 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 7.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=149" "AGONIST" "Rattus norvegicus" +"ergotamine" 1043 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=149" "AGONIST" "Rattus norvegicus" +"ergotamine" 1043 "5-hydroxytryptamine receptor 1F" "Unclassified" "P30940" "Htr1f" "5HT1F_RAT" 7.3 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=149" "AGONIST" "Rattus norvegicus" +"ergotamine" 1043 "5-hydroxytryptamine receptor 7" "GPCR" "P32304" "Htr7" "5HT7R_MOUSE" 7.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=149" "ANTAGONIST" "Mus musculus" +"ergotamine" 1043 "5-hydroxytryptamine receptor 5A" "Unclassified" "P35364" "Htr5a" "5HT5A_RAT" 8.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=149" "ANTAGONIST" "Rattus norvegicus" +"eritoran" 1044 "Toll-like receptor 4" "Membrane receptor" "O00206" "TLR4" "TLR4_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 9.22 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "INHIBITOR" "Tclin" "Homo sapiens" +"erlotinib" 1045 "Mitogen-activated protein kinase 10" "Kinase" "P53779" "MAPK10" "MK10_HUMAN" 5.37 "Kd" "Binding constant for JNK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 6.89 "Kd" "Binding constant for FLT3(D835Y) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tclin" "Homo sapiens" +"erlotinib" 1045 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 7.24 "Kd" "Binding constant for ABL1(H396P)-phosphorylated kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tclin" "Homo sapiens" +"erlotinib" 1045 "Tubulin alpha-1A chain" "Structural" "P68370" "Tuba1a" "TBA1A_RAT" 6.64 "Kd" "Binding constant for ERBB4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Rattus norvegicus" +"erlotinib" 1045 "Serine/threonine-protein kinase MRCK gamma" "Kinase" "Q6DT37" "CDC42BPG" "MRCKG_HUMAN" 5.47 "Kd" "Binding constant for DMPK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tbio" "Homo sapiens" +"erlotinib" 1045 "Vascular endothelial growth factor receptor 1" "Kinase" "P17948" "FLT1" "VGFR1_HUMAN" 5.36 "Kd" "Binding constant for FLT1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tclin" "Homo sapiens" +"erlotinib" 1045 "Mitogen-activated protein kinase 9" "Kinase" "P45984" "MAPK9" "MK09_HUMAN" 5.7 "Kd" "Binding constant for JNK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "G protein-coupled receptor kinase 4" "Kinase" "P32298" "GRK4" "GRK4_HUMAN" 5.14 "Kd" "Binding constant for GRK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 5.24 "Kd" "Binding constant for VEGFR2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tclin" "Homo sapiens" +"erlotinib" 1045 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 6.15 "Kd" "Binding constant for SRC kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tclin" "Homo sapiens" +"erlotinib" 1045 "Mitogen-activated protein kinase kinase kinase 2" "Kinase" "Q9Y2U5" "MAP3K2" "M3K2_HUMAN" 5.6 "Kd" "Binding constant for MAP3K2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Serine/threonine-protein kinase ULK3" "Kinase" "Q6PHR2" "ULK3" "ULK3_HUMAN" 6.04 "Kd" "Binding constant for ULK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Abelson tyrosine-protein kinase 2" "Kinase" "P42684" "ABL2" "ABL2_HUMAN" 6.7 "Kd" "Binding constant for ABL2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Dual specificity tyrosine-phosphorylation-regulated kinase 2" "Kinase" "Q92630" "DYRK2" "DYRK2_HUMAN" 5.89 "Kd" "Binding constant for DYRK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 5.74 "Kd" "Binding constant for PDGFRA kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tclin" "Homo sapiens" +"erlotinib" 1045 "Tyrosine-protein kinase Blk" "Kinase" "P51451" "BLK" "BLK_HUMAN" 6.72 "Kd" "Binding constant for BLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 5.96 "Kd" "Binding constant for MET(Y1235D) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tclin" "Homo sapiens" +"erlotinib" 1045 "Casein kinase I isoform epsilon" "Kinase" "P49674" "CSNK1E" "KC1E_HUMAN" 6.3 "Kd" "Binding constant for CSNK1E kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Receptor tyrosine-protein kinase erbB-3" "Kinase" "P21860" "ERBB3" "ERBB3_HUMAN" 5.96 "Kd" "Binding constant for ERBB3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Ephrin type-B receptor 6" "Kinase" "O15197" "EPHB6" "EPHB6_HUMAN" 5.77 "Kd" "Binding constant for EPHB6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Receptor-interacting serine/threonine-protein kinase 2" "Kinase" "O43353" "RIPK2" "RIPK2_HUMAN" 6.39 "Kd" "Average Binding Constant for RIPK2; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Ephrin type-B receptor 4" "Kinase" "P54760" "EPHB4" "EPHB4_HUMAN" 5.66 "Kd" "Binding constant for EPHB4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 5.43 "Kd" "Binding constant for JAK2(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tclin" "Homo sapiens" +"erlotinib" 1045 "Serine/threonine-protein kinase SIK2" "Kinase" "Q9H0K1" "SIK2" "SIK2_HUMAN" 5.59 "Kd" "Binding constant for SIK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Cyclin-G-associated kinase" "Kinase" "O14976" "GAK" "GAK_HUMAN" 8.51 "Kd" "Binding constant for GAK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Serine/threonine-protein kinase SBK1" "Kinase" "Q52WX2" "SBK1" "SBK1_HUMAN" 5.92 "Kd" "Binding constant for SBK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tdark" "Homo sapiens" +"erlotinib" 1045 "Aurora kinase A" "Kinase" "O14965" "AURKA" "AURKA_HUMAN" 5.66 "Kd" "Binding constant for AURKA kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Dual specificity mitogen-activated protein kinase kinase 5" "Kinase" "Q13163" "MAP2K5" "MP2K5_HUMAN" 7.02 "Kd" "Binding constant for MEK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Casein kinase I isoform delta" "Kinase" "P48730" "CSNK1D" "KC1D_HUMAN" 5.46 "Kd" "Binding constant for full-length CSNK1D" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Interferon-induced, double-stranded RNA-activated protein kinase" "Kinase" "P19525" "EIF2AK2" "E2AK2_HUMAN" 5.89 "Kd" "Binding constant for PRKR kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tbio" "Homo sapiens" +"erlotinib" 1045 "Mitogen-activated protein kinase 4" "Kinase" "P31152" "MAPK4" "MK04_HUMAN" 5.6 "Kd" "Binding constant for ERK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tbio" "Homo sapiens" +"erlotinib" 1045 "Serine/threonine-protein kinase TBK1" "Kinase" "Q9UHD2" "TBK1" "TBK1_HUMAN" 5.51 "Kd" "Binding constant for TBK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Vascular endothelial growth factor receptor 3" "Kinase" "P35916" "FLT4" "VGFR3_HUMAN" 5.68 "Kd" "Binding constant for FLT4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tclin" "Homo sapiens" +"erlotinib" 1045 "AarF domain-containing protein kinase 4" "Kinase" "Q96D53" "COQ8B" "COQ8B_HUMAN" 5.6 "Kd" "Binding constant for full-length ADCK4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tbio" "Homo sapiens" +"erlotinib" 1045 "MAP kinase-interacting serine/threonine-protein kinase 1" "Kinase" "Q9BUB5" "MKNK1" "MKNK1_HUMAN" 6.16 "Kd" "Binding constant for full-length MKNK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Tyrosine-protein kinase Fgr" "Kinase" "P09769" "FGR" "FGR_HUMAN" 5.96 "Kd" "Binding constant for FGR kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Death-associated protein kinase 3" "Kinase" "O43293" "DAPK3" "DAPK3_HUMAN" 5.22 "Kd" "Binding constant for DAPK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Tyrosine-protein kinase FRK" "Kinase" "P42685" "FRK" "FRK_HUMAN" 5.7 "Kd" "Binding constant for FRK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Ephrin type-A receptor 8" "Kinase" "P29322" "EPHA8" "EPHA8_HUMAN" 6.03 "Kd" "Binding constant for EPHA8 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Dual specificity protein kinase TTK" "Kinase" "P33981" "TTK" "TTK_HUMAN" 5.43 "Kd" "Binding constant for TTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Tyrosine-protein kinase receptor Tie-1" "Kinase" "P35590" "TIE1" "TIE1_HUMAN" 6.07 "Kd" "Binding constant for TIE1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Ephrin type-A receptor 3" "Kinase" "P29320" "EPHA3" "EPHA3_HUMAN" 5.62 "Kd" "Binding constant for EPHA3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 7.72 "Kd" "Binding constant for LOK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Serine/threonine-protein kinase 17B" "Kinase" "O94768" "STK17B" "ST17B_HUMAN" 5.03 "Kd" "Binding constant for DRAK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Serine/threonine-protein kinase PLK4" "Kinase" "O00444" "PLK4" "PLK4_HUMAN" 5.72 "Kd" "Binding constant for PLK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "AP2-associated protein kinase 1" "Kinase" "Q2M2I8" "AAK1" "AAK1_HUMAN" 5.92 "Kd" "Binding constant for AAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 6.15 "Kd" "Binding constant for JAK3(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tclin" "Homo sapiens" +"erlotinib" 1045 "Eukaryotic translation initiation factor 2-alpha kinase 4" "Kinase" "Q9P2K8" "EIF2AK4" "E2AK4_HUMAN" 5.36 "Kd" "Binding constant for GCN2(Kin.Dom.2,S808G) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 6.48 "Kd" "Binding constant for RET(M918T) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tclin" "Homo sapiens" +"erlotinib" 1045 "Myotonin-protein kinase" "Kinase" "Q09013" "DMPK" "DMPK_HUMAN" 5.54 "Kd" "Binding constant for DMPK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Epithelial discoidin domain-containing receptor 1" "Kinase" "Q08345" "DDR1" "DDR1_HUMAN" 6.1 "Kd" "Binding constant for DDR1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Tyrosine-protein kinase receptor TYRO3" "Kinase" "Q06418" "TYRO3" "TYRO3_HUMAN" 5.41 "Kd" "Binding constant for TYRO3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Tyrosine-protein kinase Yes" "Kinase" "P07947" "YES1" "YES_HUMAN" 5.66 "Kd" "Binding constant for YES kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tclin" "Homo sapiens" +"erlotinib" 1045 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 6.6 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tclin" "Homo sapiens" +"erlotinib" 1045 "Myosin light chain kinase 2, skeletal/cardiac muscle" "Kinase" "Q9H1R3" "MYLK2" "MYLK2_HUMAN" 6.01 "Kd" "Binding constant for MYLK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tbio" "Homo sapiens" +"erlotinib" 1045 "Leukocyte tyrosine kinase receptor" "Kinase" "P29376" "LTK" "LTK_HUMAN" 6.05 "Kd" "Binding constant for LTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tclin" "Homo sapiens" +"erlotinib" 1045 "Mitogen-activated protein kinase kinase kinase 19" "Kinase" "Q56UN5" "MAP3K19" "M3K19_HUMAN" 7.6 "Kd" "Binding constant for YSK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Tyrosine-protein kinase CSK" "Kinase" "P41240" "CSK" "CSK_HUMAN" 5.02 "Kd" "Binding constant for CSK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Tyrosine-protein kinase receptor UFO" "Kinase" "P30530" "AXL" "UFO_HUMAN" 5.4 "Kd" "Binding constant for AXL kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Serine/threonine-protein kinase TNNI3K" "Kinase" "Q59H18" "TNNI3K" "TNI3K_HUMAN" 6.24 "Kd" "Binding constant for full-length TNNI3K" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.54 "Kd" "Binding constant for ERBB2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tclin" "Homo sapiens" +"erlotinib" 1045 "Tyrosine-protein kinase HCK" "Kinase" "P08631" "HCK" "HCK_HUMAN" 5.74 "Kd" "Binding constant for HCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tclin" "Homo sapiens" +"erlotinib" 1045 "Aurora kinase C" "Kinase" "Q9UQB9" "AURKC" "AURKC_HUMAN" 6.22 "Kd" "Binding constant for full-length AURKC" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "SRSF protein kinase 3" "Kinase" "Q9UPE1" "SRPK3" "SRPK3_HUMAN" 5.08 "Kd" "Binding constant for SRPK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Tyrosine-protein kinase TXK" "Kinase" "P42681" "TXK" "TXK_HUMAN" 5.42 "Kd" "Binding constant for TXK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 5.85 "Kd" "Binding constant for PDGFRB kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tclin" "Homo sapiens" +"erlotinib" 1045 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" 5.72 "Kd" "Average Binding Constant for FGFR2; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tclin" "Homo sapiens" +"erlotinib" 1045 "ALK tyrosine kinase receptor" "Kinase" "Q9UM73" "ALK" "ALK_HUMAN" 5.92 "Kd" "Binding constant for ALK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tclin" "Homo sapiens" +"erlotinib" 1045 "Citron Rho-interacting kinase" "Kinase" "O14578" "CIT" "CTRO_HUMAN" 6.17 "Kd" "Binding constant for CIT kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tbio" "Homo sapiens" +"erlotinib" 1045 "Homeodomain-interacting protein kinase 4" "Kinase" "Q8NE63" "HIPK4" "HIPK4_HUMAN" 6.02 "Kd" "Binding constant for HIPK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Chaperone activity of bc1 complex-like, mitochondrial" "Kinase" "Q8NI60" "COQ8A" "COQ8A_HUMAN" 5.72 "Kd" "Binding constant for ADCK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tbio" "Homo sapiens" +"erlotinib" 1045 "Mitogen-activated protein kinase kinase kinase 3" "Kinase" "Q99759" "MAP3K3" "M3K3_HUMAN" 5.64 "Kd" "Binding constant for MAP3K3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Serine/threonine-protein kinase ULK3" "Kinase" "Q3U3Q1" "Ulk3" "ULK3_MOUSE" 6.2 "Kd" "Average Binding Constant for ULK3 m; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Mus musculus" +"erlotinib" 1045 "Misshapen-like kinase 1" "Kinase" "Q8N4C8" "MINK1" "MINK1_HUMAN" 5.89 "Kd" "Binding constant for MINK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Leucine-rich repeat serine/threonine-protein kinase 2" "Kinase" "Q5S007" "LRRK2" "LRRK2_HUMAN" 5.54 "Kd" "Binding constant for LRRK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma" "Kinase" "Q8TBX8" "PIP4K2C" "PI42C_HUMAN" 6 "Kd" "Binding constant for PIP5K2C kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tbio" "Homo sapiens" +"erlotinib" 1045 "Serine/threonine-protein kinase 36" "Kinase" "Q9NRP7" "STK36" "STK36_HUMAN" 5.36 "Kd" "Binding constant for STK36 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tbio" "Homo sapiens" +"erlotinib" 1045 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 5.89 "Kd" "Binding constant for KIT(V559D,T670I) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tclin" "Homo sapiens" +"erlotinib" 1045 "Receptor tyrosine-protein kinase erbB-4" "Kinase" "Q15303" "ERBB4" "ERBB4_HUMAN" 6.64 "Kd" "Binding constant for ERBB4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tclin" "Homo sapiens" +"erlotinib" 1045 "BMP-2-inducible protein kinase" "Kinase" "Q9NSY1" "BMP2K" "BMP2K_HUMAN" 5.92 "Kd" "Binding constant for BIKE kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Serine/threonine-protein kinase 17A" "Kinase" "Q9UEE5" "STK17A" "ST17A_HUMAN" 5.2 "Kd" "Binding constant for DRAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Ephrin type-A receptor 6" "Kinase" "Q9UF33" "EPHA6" "EPHA6_HUMAN" 6.36 "Kd" "Binding constant for EPHA6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "TRAF2 and NCK-interacting protein kinase" "Kinase" "Q9UKE5" "TNIK" "TNIK_HUMAN" 5.35 "Kd" "Binding constant for TNIK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Calcium/calmodulin-dependent protein kinase type II subunit delta" "Kinase" "Q13557" "CAMK2D" "KCC2D_HUMAN" 5.19 "Kd" "Binding constant for CAMK2D kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Ribosomal protein S6 kinase alpha-4" "Kinase" "O75676" "RPS6KA4" "KS6A4_HUMAN" 5.15 "Kd" "Binding constant for RPS6KA4(Kin.Dom.2 - N-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Aurora kinase B" "Kinase" "Q96GD4" "AURKB" "AURKB_HUMAN" 5.85 "Kd" "Binding constant for AURKB kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "STE20-like serine/threonine-protein kinase" "Kinase" "Q9H2G2" "SLK" "SLK_HUMAN" 7.59 "Kd" "Binding constant for SLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "MAP kinase-interacting serine/threonine-protein kinase 2" "Kinase" "Q9HBH9" "MKNK2" "MKNK2_HUMAN" 6 "Kd" "Binding constant for MKNK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Non-receptor tyrosine-protein kinase TYK2" "Kinase" "P29597" "TYK2" "TYK2_HUMAN" 5.62 "Kd" "Binding constant for TYK2(JH2domain-pseudokinase) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tclin" "Homo sapiens" +"erlotinib" 1045 "Ephrin type-A receptor 7" "Kinase" "Q15375" "EPHA7" "EPHA7_HUMAN" 5.85 "Kd" "Binding constant for EPHA7 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Receptor-interacting serine/threonine-protein kinase 4" "Kinase" "P57078" "RIPK4" "RIPK4_HUMAN" 5.31 "Kd" "Binding constant for RIPK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 6.28 "Kd" "Binding constant for LYN kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tclin" "Homo sapiens" +"erlotinib" 1045 "Ephrin type-A receptor 5" "Kinase" "P54756" "EPHA5" "EPHA5_HUMAN" 6.15 "Kd" "Binding constant for EPHA5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Tyrosine-protein kinase Mer" "Kinase" "Q12866" "MERTK" "MERTK_HUMAN" 6.01 "Kd" "Binding constant for MERTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Ephrin type-B receptor 1" "Kinase" "P54762" "EPHB1" "EPHB1_HUMAN" 5.96 "Kd" "Binding constant for EPHB1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Non-receptor tyrosine-protein kinase TNK1" "Kinase" "Q13470" "TNK1" "TNK1_HUMAN" 6.2 "Kd" "Binding constant for full-length TNK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL553" "Tchem" "Homo sapiens" +"erlotinib" 1045 "Solute carrier organic anion transporter family member 2B1" "Unclassified" "O94956" "SLCO2B1" "SO2B1_HUMAN" 6.28 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4920" "INHIBITOR" "Homo sapiens" +"ertapenem" 1046 "Penicillin-binding protein 2" "Enzyme" "Q9X6V3" "pbpA" "Q9X6V3_PSEAI" "WOMBAT-PK" "Pseudomonas aeruginosa" +"ertapenem" 1046 "Penicillin-binding protein 4" "Enzyme" "Q5D1E9" "Q5D1E9_STAAU" "WOMBAT-PK" "Staphylococcus aureus" +"ertapenem" 1046 "D-ala-D-ala-carboxypeptidase; D-alanyl-D-alanine carboxypeptidase; D-alanyl-D-alanine carboxypeptidase family protein; Penicillin-binding protein 5" "Enzyme" "Q9X6V7" "dacA" "Q9X6V7_PSEAI" "WOMBAT-PK" "Pseudomonas aeruginosa" +"ertapenem" 1046 "Penicillin-binding protein 1" "Enzyme" "A1KS91" "ponA" "A1KS91_NEIMF" "WOMBAT-PK" "Neisseria meningitidis serogroup C / serotype 2a (strain ATCC 700532 / DSM 15464 / FAM18)" +"ertapenem" 1046 "D-alanyl-D-alanine carboxypeptidase; D-alanyl-D-alanine carboxypeptidase penicillin-binding protein 6" "Enzyme" "Q7CHG0" "dacC" "Q7CHG0_YERPE" "WOMBAT-PK" "Yersinia pestis" +"ertapenem" 1046 "Penicillin-binding protein 1B" "Enzyme" "P02919" "mrcB" "PBPB_ECOLI" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00303" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1232" "INHIBITOR" "Escherichia coli (strain K12)" +"ertapenem" 1046 "Penicillin-binding protein 1A" "Enzyme" "P02918" "mrcA" "PBPA_ECOLI" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00303" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1232" "INHIBITOR" "Escherichia coli (strain K12)" +"ertapenem" 1046 "D-alanyl-D-alanine carboxypeptidase DacB" "Enzyme" "P24228" "dacB" "DACB_ECOLI" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00303" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1232" "INHIBITOR" "Escherichia coli (strain K12)" +"erythromycin" 1048 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 4.8239 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"erythromycin" 1048 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 7.41 "IC50" "Inhibition of human ERG expressed in HEK cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL532" "Tclin" "Homo sapiens" +"erythromycin" 1048 "Motilin receptor" "GPCR" "O43193" "MLNR" "MTLR_HUMAN" 4.43 "Ki" "In vitro binding affinity towards human motilin receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL532" "Tchem" "Homo sapiens" +"erythromycin" 1048 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 5.3899998664856 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL532" "Tchem" "Homo sapiens" +"erythromycin propionate" 1052 "Bile salt export pump" "Unclassified" "O70127" "Abcb11" "ABCBB_RAT" 4.94 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2218877" "Rattus norvegicus" +"erythromycin propionate" 1052 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 5.39 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2218877" "Tchem" "Homo sapiens" +"escitalopram" 1053 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 9.05 "Ki" "Displacement of [3H]citalopram from SERT in rat brain stem by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1508" "Rattus norvegicus" +"escitalopram" 1053 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 4.98 "Ki" "Displacement of [3H]nisoxetine from NET in rat frontal cortex by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1508" "Rattus norvegicus" +"escitalopram" 1053 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 5.09 "Ki" "Displacement of [3H]WIN-35428 from DAT in rat caudate-putamen by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1508" "Rattus norvegicus" +"escitalopram" 1053 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 8.9586 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1508" "INHIBITOR" "Tclin" "Homo sapiens" +"escitalopram" 1053 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.905878404 "Ki" "PDSP" "Tclin" "Homo sapiens" +"escitalopram" 1053 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.705533774 "Ki" "PDSP" "Tclin" "Homo sapiens" +"escitalopram" 1053 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.596707855 "Ki" "PDSP" "Tclin" "Homo sapiens" +"escitalopram" 1053 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 5.412289035 "Ki" "PDSP" "Tclin" "Homo sapiens" +"escitalopram" 1053 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.186152246 "Ki" "PDSP" "Tclin" "Homo sapiens" +"esmolol" 1054 "Beta-2 adrenergic receptor" "GPCR" "Q8K4Z4" "Adrb2" "ADRB2_CAVPO" 5.2 "Kd" "Ability to block Beta-2 adrenergic receptor in guinea pig trachea preparation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL768" "Cavia porcellus" +"esmolol" 1054 "Beta-1 adrenergic receptor" "GPCR" "B0FL73" "ADRB1" "B0FL73_CAVPO" 7 "Kd" "Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL768" "Cavia porcellus" +"esmolol" 1054 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.9 "Ki" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7178" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7178" "ANTAGONIST" "Tclin" "Homo sapiens" +"esomeprazole" 1055 "Potassium-transporting ATPase" "Transporter" "P20648|P51164" "ATP4A|ATP4B" "ATP4A_HUMAN|ATP4B_HUMAN" "Mechanism of Action; CHEMBL2095173; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200470" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200470" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"estazolam" 1056 "GABA-A receptor alpha-5/beta-3/gamma-2" "Ion channel" "P18507|P28472|P31644" "GABRA5|GABRB3|GABRG2" "GBRA5_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL285674" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"estazolam" 1056 "GABA-A receptor alpha-3/beta-3/gamma-2" "Ion channel" "P18507|P28472|P34903" "GABRA3|GABRB3|GABRG2" "GBRA3_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL285674" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"estazolam" 1056 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL285674" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"estazolam" 1056 "GABA-A receptor alpha-2/beta-3/gamma-2" "Ion channel" "P18507|P28472|P47869" "GABRA2|GABRB3|GABRG2" "GBRA2_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL285674" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"estradiol" 1057 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 10.3 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL135" "AGONIST" "Tclin" "Homo sapiens" +"estradiol" 1057 "Calcium-activated potassium channel subunit alpha-1" "Ion channel" "Q12791" "KCNMA1" "KCMA1_HUMAN" 5.6 "EC50" "IUPHAR" "=" "ACTIVATOR" "Tclin" "Homo sapiens" +"estradiol" 1057 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.243059764 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"estradiol" 1057 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 4.72519581 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"estradiol" 1057 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 4.926391612 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"estradiol" 1057 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 4.947113765 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" +"estradiol" 1057 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 5.371917739 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"estradiol" 1057 "Estrogen receptor" "Transcription factor" "P06211" "Esr1" "ESR1_RAT" 8.72 "IC50" "Inhibition of [3H]17-beta-estradiol binding to rat ER alpha expressed in Escherichia coli" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL135" "Rattus norvegicus" +"estradiol" 1057 "Estrogen receptor" "Transcription factor" "P19785" "Esr1" "ESR1_MOUSE" 8.66 "IC50" "Inhibition of [3H]17-beta-estradiol binding to mouse ER alpha expressed in Escherichia coli" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL135" "Mus musculus" +"estradiol" 1057 "Estrogen receptor beta" "Transcription factor" "Q62986" "Esr2" "ESR2_RAT" 8.77 "IC50" "Inhibition of [3H]17-beta-estradiol binding to rat ER beta expressed in Escherichia coli" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL135" "Rattus norvegicus" +"estradiol" 1057 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 8.83 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL135" "Tchem" "Homo sapiens" +"estradiol" 1057 "Steryl-sulfatase" "Enzyme" "P08842" "STS" "STS_HUMAN" 4.08 "IC50" "Inhibition of steroid sulfatase activity of JEG-3 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL135" "Tchem" "Homo sapiens" +"estradiol" 1057 "Steroid hormone receptor ERR2" "Nuclear hormone receptor" "O95718" "ESRRB" "ERR2_HUMAN" 8.49 "IC50" "Inhibition of human ERbeta" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL135" "Tchem" "Homo sapiens" +"estradiol" 1057 "Estrogen receptor" "Transcription factor" "P06211|Q62986" "Esr1|Esr2" "ESR1_RAT|ESR2_RAT" 9.45 "IC50" "Inhibition of estradiol binding to estrogen receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL135" "Rattus norvegicus" +"estradiol" 1057 "Steroid hormone receptor ERR1" "Nuclear hormone receptor" "P11474" "ESRRA" "ERR1_HUMAN" 8.44 "IC50" "Inhibition of human ERalpha" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL135" "Tchem" "Homo sapiens" +"estradiol" 1057 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 6.39 "IC50" "Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL135" "Rattus norvegicus" +"estradiol" 1057 "Estrogen receptor beta" "Transcription factor" "O08537" "Esr2" "ESR2_MOUSE" 8.64 "IC50" "Inhibition of [3H]17-beta-estradiol binding to mouse ER beta expressed in Escherichia coli" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL135" "Mus musculus" +"estradiol" 1057 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 7.72 "IC50" "Inhibitory activity against AR" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL135" "Tclin" "Homo sapiens" +"estradiol" 1057 "G-protein coupled estrogen receptor 1" "GPCR" "Q99527" "GPER1" "GPER1_HUMAN" 9.52 "EC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"estradiol" 1057 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 9.7 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"estradiol" 1057 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 6.5376 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"estradiol" 1057 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 5 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL135" "Tbio" "Homo sapiens" +"estradiol benzoate" 1058 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.709742731 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"estradiol benzoate" 1058 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 4.767334181 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"estradiol benzoate" 1058 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.133181197 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"estradiol benzoate" 1058 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 5.637140697 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"estradiol benzoate" 1058 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 5.445874418 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"estradiol benzoate" 1058 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 4.909671393 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"estradiol benzoate" 1058 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 7.744727495 "Ki" "DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"estradiol benzoate" 1058 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 4.638385473 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"estradiol benzoate" 1058 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 8.156144577 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"estradiol benzoate" 1058 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 5.902048929 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"estradiol benzoate" 1058 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 5.94 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL282575" "Tchem" "Homo sapiens" +"estradiol cypionate" 1059 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" "Mechanism of Action; CHEMBL206; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200973" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200973" "AGONIST" "Tclin" "Homo sapiens" +"estradiol mustard" 1062 "Estrogen receptor" "Transcription factor" "P06211" "Esr1" "ESR1_RAT" 5.52 "Kd" "Displacement of radiolabeled estradiol from estradiol receptor in rat uterine cytosol" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1697793" "Rattus norvegicus" +"estradiol valerate" 1064 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" "Mechanism of Action; CHEMBL206; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1511" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1511" "AGONIST" "Tclin" "Homo sapiens" +"estramustine phosphate" 1066 "Tyrosine-protein phosphatase non-receptor type 1" "Enzyme" "P18031" "PTPN1" "PTN1_HUMAN" 4.2 "IC50" "Inhibition of recombinant PTP1B" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1756" "Tchem" "Homo sapiens" +"estramustine phosphate" 1066 "Protein-tyrosine phosphatase 1C" "Enzyme" "P29350" "PTPN6" "PTN6_HUMAN" 4.39 "IC50" "Inhibition of recombinant SHP1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1756" "Tchem" "Homo sapiens" +"estramustine phosphate" 1066 "Tyrosine-protein phosphatase non-receptor type 11" "Enzyme" "Q06124" "PTPN11" "PTN11_HUMAN" 5.08 "Kd" "Binding affinity to recombinant SHP2 by surface plasmon response" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1756" "Tchem" "Homo sapiens" +"estramustine phosphate" 1066 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" "Mechanism of Action; CHEMBL242; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1756" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1756" "MODULATOR" "Tclin" "Homo sapiens" +"estriol succinate" 1067 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 9.89999961853027 "EC50" "Agonist activity at ER-beta (unknown origin) transfected in HEK293T cells after 24 hrs by Steady-Glo luciferase reporter gene assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193482" "Tclin" "Homo sapiens" +"estriol succinate" 1067 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 9.31999969482422 "Ki" "DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193482" "Tclin" "Homo sapiens" +"estriol succinate" 1067 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 6.63000011444092 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193482" "Tchem" "Homo sapiens" +"estriol succinate" 1067 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.26000022888184 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193482" "Tclin" "Homo sapiens" +"estriol succinate" 1067 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 4.75 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193482" "Tclin" "Homo sapiens" +"estriol succinate" 1067 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 5 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193482" "Tbio" "Homo sapiens" +"estriol succinate" 1067 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.06 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193482" "Oryctolagus cuniculus" +"estriol succinate" 1067 "Lanosterol 14-alpha demethylase" "Enzyme" "P9WPP9" "cyp51" "CP51_MYCTU" 4 "Kd" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193482" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"eszopiclone" 1068 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1522" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"eszopiclone" 1068 "GABA A receptor alpha-3/beta-2/gamma-2" "Ion channel" "P18507|P34903|P47870" "GABRA3|GABRB2|GABRG2" "GBRA3_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1522" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"eszopiclone" 1068 "GABA A receptor alpha-3/beta-2/gamma-3" "Ion channel" "P34903|P47870|Q99928" "GABRA3|GABRB2|GABRG3" "GBRA3_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1522" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"eszopiclone" 1068 "GABA-A receptor alpha-1/beta-2/gamma-3" "Ion channel" "P14867|P47870|Q99928" "GABRA1|GABRB2|GABRG3" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1522" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"eszopiclone" 1068 "GABA A receptor alpha-5/beta-2/gamma-2" "Ion channel" "P18507|P31644|P47870" "GABRA5|GABRB2|GABRG2" "GBRA5_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1522" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"eszopiclone" 1068 "GABA A receptor alpha-5/beta-2/gamma-3" "Ion channel" "P31644|P47870|Q99928" "GABRA5|GABRB2|GABRG3" "GBRA5_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1522" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"eszopiclone" 1068 "Gamma-aminobutyric acid receptor subunit alpha-4" "Ion channel" "P48169" "GABRA4" "GBRA4_HUMAN" 6.99 "Ki" "Displacement of [3H]Ro-154513 from benzodiazepine binding site of GABAA alpha-4-beta-2-gamma-2 receptor expressed in HEK293T cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1522" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1522" "POSITIVE ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"eszopiclone" 1068 "Gamma-aminobutyric acid receptor subunit alpha-2" "Ion channel" "P47869" "GABRA2" "GBRA2_HUMAN" 6.94 "Ki" "Displacement of [3H]Ro-151788 from benzodiazepine binding site of GABAA alpha-2-beta-2-gamma-2 receptor expressed in HEK293T cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1522" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1522" "POSITIVE ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"eszopiclone" 1068 "Gamma-aminobutyric acid receptor subunit alpha-1" "Ion channel" "P14867" "GABRA1" "GBRA1_HUMAN" 7.30000019073486 "Ki" "Displacement of [3H]Ro15-1788 from benzodiazepine binding site of GABAA alpha-1-beta-2-gamma-2 receptor expressed in HEK293T cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1522" "Tclin" "Homo sapiens" +"eszopiclone" 1068 "Gamma-aminobutyric acid receptor subunit alpha-3" "Ion channel" "P34903" "GABRA3" "GBRA3_HUMAN" 6.78999996185303 "Ki" "Displacement of [3H]Ro-151788 from benzodiazepine binding site of GABAA alpha-3-beta-2-gamma-2 receptor expressed in HEK293T cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1522" "Tclin" "Homo sapiens" +"ethacrynic acid" 1071 "Solute carrier family 12 member 1" "Transporter" "Q13621" "SLC12A1" "S12A1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL456" "INHIBITOR" "Tclin" "Homo sapiens" +"ethacrynic acid" 1071 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 5.93930216 "IC50" "DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde)" "DRUG MATRIX" "=" "Rattus norvegicus" +"ethacrynic acid" 1071 "Glutathione S-transferase P" "Enzyme" "P09211" "GSTP1" "GSTP1_HUMAN" 5.47 "IC50" "Inhibition of GST P1-1 in human HL60 cell lysate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL456" "Tchem" "Homo sapiens" +"ethacrynic acid" 1071 "UDP-glucose 4-epimerase" "Enzyme" "Q14376" "GALE" "GALE_HUMAN" 4.85 "IC50" "Inhibition of human GalE by HPAEC assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL456" "Tchem" "Homo sapiens" +"ethacrynic acid" 1071 "Glutathione S-transferase A1" "Enzyme" "P08263" "GSTA1" "GSTA1_HUMAN" 5.3 "IC50" "Inhibition of GST A1-1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL456" "Tchem" "Homo sapiens" +"ethambutol" 1073 "Probable arabinosyltransferase A" "Enzyme" "P9WNL8" "embA" "EMBA_MYCTO" "WOMBAT-PK" "Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)" +"ethambutol" 1073 "Probable arabinosyltransferase B" "Enzyme" "P9WNL6" "embB" "EMBB_MYCTO" "WOMBAT-PK" "Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)" +"ethambutol" 1073 "Probable arabinosyltransferase C" "Enzyme" "P9WNL5" "embC" "EMBC_MYCTU" "WOMBAT-PK" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"ethambutol" 1073 "Probable arabinosyltransferase A" "Enzyme" "P9WNL9" "embA" "EMBA_MYCTU" "Mechanism of Action; CHEMBL1877; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL44884" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL44884" "INHIBITOR" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"ethambutol" 1073 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6.25 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ethambutol" 1073 "Cytochrome P450 3A5" "Enzyme" "P20815" "CYP3A5" "CP3A5_HUMAN" 4.72 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ethambutol" 1073 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.48 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ethambutol" 1073 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.16 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ethambutol" 1073 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.15 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ethanol" 1076 "GABA A receptor alpha-4/beta-2/delta" "Ion channel" "O14764|P47870|P48169" "GABRA4|GABRB2|GABRD" "GBRA4_HUMAN|GBRB2_HUMAN|GBRD_HUMAN" "WOMBAT-PK" "Tclin|Tclin|Tclin" "Homo sapiens" +"ethanol" 1076 "Glycine receptor subunit alpha-2" "Ion channel" "P23416" "GLRA2" "GLRA2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"ethanol" 1076 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"ethanol" 1076 "Glutamate receptor ionotropic, NMDA 3A" "Ion channel" "Q8TCU5" "GRIN3A" "NMD3A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"ethchlorvynol" 1078 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRB3|GABRG2" "GBRA1_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL591" "POSITIVE MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"ethinylestradiol" 1082 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 9.83 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL691" "AGONIST" "Tclin" "Homo sapiens" +"ethinylestradiol" 1082 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 4.963890333 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ethinylestradiol" 1082 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 4.929925174 "Ki" "DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ethinylestradiol" 1082 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.537602002 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ethinylestradiol" 1082 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.021819483 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ethinylestradiol" 1082 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 6.109578981 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ethinylestradiol" 1082 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.35261703 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ethinylestradiol" 1082 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 4.730253627 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"ethinylestradiol" 1082 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 4.984724093 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ethinylestradiol" 1082 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 5.877456476 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808)" "DRUG MATRIX" "=" "Cavia porcellus" +"ethinylestradiol" 1082 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.245804612 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" +"ethinylestradiol" 1082 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 6.8569852 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"ethinylestradiol" 1082 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 6.81 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL691" "Tchem" "Homo sapiens" +"ethinylestradiol" 1082 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 4.69 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL691" "Tchem" "Homo sapiens" +"ethinylestradiol" 1082 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 4.68 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL691" "Tchem" "Homo sapiens" +"ethinylestradiol" 1082 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 8.09 "IC50" "Binding affinity to ERbeta" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL691" "Tclin" "Homo sapiens" +"ethinylestradiol" 1082 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.09 "IC50" "Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL691" "Rattus norvegicus" +"ethinylestradiol" 1082 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.66 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL691" "Tchem" "Homo sapiens" +"ethinylestradiol" 1082 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 7.3 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ethinylestradiol" 1082 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 6.2441 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"ethionamide" 1083 "Catalase-peroxidase" "Enzyme" "P9WIE4" "katG" "KATG_MYCTO" "WOMBAT-PK" "Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)" +"ethionamide" 1083 "Enoyl-[acyl-carrier-protein] reductase [NADH]" "Enzyme" "P9WGR1" "inhA" "INHA_MYCTU" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00609" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1441" "INHIBITOR" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"ethisterone" 1084 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 7.022276395 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ethisterone" 1084 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 7.356547324 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"ethisterone" 1084 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 8.110698297 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"ethisterone" 1084 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 8.78 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL241694" "Tchem" "Homo sapiens" +"ethisterone" 1084 "Polyphenol oxidase 2" "Enzyme" "O42713" "PPO2" "PPO2_AGABI" 5.58 "IC50" "Inhibition of mushroom tyrosinase after 10 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL241694" "Agaricus bisporus" +"profenamine" 1086 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1206" "ANTAGONIST" "Tclin" "Homo sapiens" +"profenamine" 1086 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 4.61 "Ki" "Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex by Lineweaver-Burk plot" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1206" "Tclin" "Homo sapiens" +"profenamine" 1086 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 6.14 "IC50" "Inhibition of Equine serum BChE using butyrylthiocholine iodide as a substrate after 20 mins by Ellman's assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1206" "Equus caballus" +"profenamine" 1086 "Butyrylcholinesterase" "Enzyme" "Q9N1N9" "BCHE" "Q9N1N9_HORSE" 7.7 "Ki" "Dissociation constant for inhibition of equine Butyrylcholinesterase (BuChE)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1206" "Equus caballus" +"profenamine" 1086 "Cholinesterase" "Enzyme" "P06276" "BCHE" "CHLE_HUMAN" 7.7 "Ki" "Inhibitory activity against Equine Butyrylcholinesterase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1206" "Tclin" "Homo sapiens" +"profenamine" 1086 "Glutamate receptor ionotropic, NMDA 3A" "Ion channel" "Q8TCU5" "GRIN3A" "NMD3A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"profenamine" 1086 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 8.51 "Ki" "Displacement of [H]QNB binding in rat forebrain brain homogenate." "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7181" "ANTAGONIST" "Rattus norvegicus" +"profenamine" 1086 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 8.14 "Ki" "Displacement of [H]QNB binding in rat hindbrain brain homogenate." "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7181" "ANTAGONIST" "Rattus norvegicus" +"ethosuximide" 1087 "Voltage-dependent T-type calcium channel subunit alpha-1G" "Ion channel" "O43497" "CACNA1G" "CAC1G_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL696" "BLOCKER" "Tclin" "Homo sapiens" +"ethotoin" 1088 "Sodium channel alpha subunit" "Ion channel" "P35498|P35499|Q01118|Q14524|Q15858|Q99250|Q9NY46|Q9UI33|Q9UQD0|Q9Y5Y9" "SCN10A|SCN11A|SCN1A|SCN2A|SCN3A|SCN4A|SCN5A|SCN7A|SCN8A|SCN9A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN|SCN4A_HUMAN|SCN5A_HUMAN|SCN7A_HUMAN|SCN8A_HUMAN|SCN9A_HUMAN|SCNAA_HUMAN|SCNBA_HUMAN" "Mechanism of Action; CHEMBL2331043; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1095" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1095" "BLOCKER" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"ethoxzolamide" 1089 "Carbonic anhydrase" "Unclassified" "C0IX24" "CA2" "C0IX24_9CNID" 6.98 "Ki" "Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "Stylophora pistillata" +"ethoxzolamide" 1089 "Delta carbonic anhydrase" "Unclassified" "Q5U9J1" "ca1" "Q5U9J1_THAWE" 7.07 "Ki" "Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "Thalassiosira weissflogii" +"ethoxzolamide" 1089 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 7.6 "Ki" "Inhibitory activity against human recombinant mitochondrial isozyme CA VA" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "INHIBITOR" "Tclin" "Homo sapiens" +"ethoxzolamide" 1089 "Carbonic anhydrase" "Enzyme" "P53615" "NCE103" "CAN_YEAST" 7.01 "Ki" "Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"ethoxzolamide" 1089 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 9.31 "Ki" "In vitro binding to human erythrocyte carbonic anhydrase was determined by fluorescence competition assay employing the fluorescent CA inhibitor dansylamide" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "INHIBITOR" "Tclin" "Homo sapiens" +"ethoxzolamide" 1089 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 8.6 "Ki" "Inhibition of human recombinant full length CA14 by stopped-flow CO2 hydration method" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "INHIBITOR" "Tclin" "Homo sapiens" +"ethoxzolamide" 1089 "Carbonic anhydrase" "Enzyme" "Q50565" "Q50565_METTH" 5.27 "Ki" "Inhibitory activity against beta carbonic anhydrase (Cab) from Methanobacterium thermoautotrophicum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "Methanothermobacter thermautotrophicus (strain ATCC 29096 / DSM 1053 / JCM 10044 / NBRC 100330 / Delta H)" +"ethoxzolamide" 1089 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 9.15 "Kd" "Binding affinity to human recombinant CA7 at 37 degC and pH 7.0 by thermal shift assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "INHIBITOR" "Tclin" "Homo sapiens" +"ethoxzolamide" 1089 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 7.3 "Ki" "Inhibition of mouse full length carbonic anhydrase 13 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "Mus musculus" +"ethoxzolamide" 1089 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 7.66 "Ki" "Ki value against human carbonic anhydrase XII (hCA XII)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "INHIBITOR" "Tclin" "Homo sapiens" +"ethoxzolamide" 1089 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 7.47 "Ki" "Inhibitory activity against human tumor-associated transmembrane carbonic anhydrase IX." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "INHIBITOR" "Tclin" "Homo sapiens" +"ethoxzolamide" 1089 "Carbonic anhydrase" "Enzyme" "O24855" "cynT" "CYNT_HELPY" 6.81 "Ki" "Inhibition of Helicobacter pylori recombinant CA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "Helicobacter pylori (strain ATCC 700392 / 26695)" +"ethoxzolamide" 1089 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 7.24 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "Mus musculus" +"ethoxzolamide" 1089 "Alpha carbonic anhydrase" "Unclassified" "B5SU02" "CA" "B5SU02_9CNID" 7.4 "Ki" "Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "Stylophora pistillata" +"ethoxzolamide" 1089 "Carbonic anhydrase V" "Enzyme" "P35218|Q9Y2D0" "CA5A|CA5B" "CAH5A_HUMAN|CAH5B_HUMAN" 8.7 "Ki" "Mean inhibitory constant towards human carbonic anhydrase V determined by spectrophotometric dansylamide binding assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"ethoxzolamide" 1089 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 7.03 "Ki" "Inhibitory activity against human carbonic anhydrase IV (hCAIV)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "INHIBITOR" "Tclin" "Homo sapiens" +"ethoxzolamide" 1089 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 7.85 "Kd" "Binding affinity to human recombinant CA1 at 37 degC and pH 7.0 by thermal shift assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "INHIBITOR" "Tclin" "Homo sapiens" +"ethoxzolamide" 1089 "Carbonic anhydrase 3" "Enzyme" "Q3SZX4" "CA3" "CAH3_BOVIN" 5.02 "Ki" "Inhibition of bovine carbonic anhydrase 3 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "Bos taurus" +"ethoxzolamide" 1089 "Astrosclerin-3" "Unclassified" "A6YCJ1" "A6YCJ1_9METZ" 6.41 "Ki" "Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "Astrosclera willeyana" +"ethoxzolamide" 1089 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 7.72 "Ki" "Inhibitory activity against human recombinant mitochondrial isozyme CA VB" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "INHIBITOR" "Tclin" "Homo sapiens" +"ethoxzolamide" 1089 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 5.3 "Ki" "Inhibition of human carbonic anhydrase 3" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "INHIBITOR" "Tclin" "Homo sapiens" +"ethoxzolamide" 1089 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 8.1 "Ki" "Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"ethoxzolamide" 1089 "Carbonic anhydrase" "Enzyme" "P40881" "CAH_METTE" 6.7 "Ki" "Inhibitory activity against alpha carbonic anhydrase (Zn-Cam) from Methanosarcina thermophila" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "Methanosarcina thermophila" +"ethoxzolamide" 1089 "Beta-carbonic anhydrase 1" "Enzyme" "P9WPJ7" "mtcA1" "MTCA1_MYCTU" 5.99 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase 1 encoded by Rv1284 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"ethoxzolamide" 1089 "Carbonic anhydrase 2" "Enzyme" "P9WPJ9" "mtcA2" "MTCA2_MYCTU" 7.57 "Ki" "Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"ethoxzolamide" 1089 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 7.89 "Kd" "Binding affinity to human recombinant CA13 at 37 degC and pH 7.0 by thermal shift assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "INHIBITOR" "Tclin" "Homo sapiens" +"ethoxzolamide" 1089 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 7.48 "Kd" "Binding affinity to human recombinant carbonic anhydrase 6 expressed in Escherichia coli Rosetta2 (DE3) by thermal shift assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "INHIBITOR" "Tclin" "Homo sapiens" +"ethoxzolamide" 1089 "Carbonic anhydrase 4" "Enzyme" "Q95323" "CA4" "CAH4_BOVIN" 7.89 "Ki" "Inhibitory activity against bovine carbonic anhydrase IV from lung microsomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "Bos taurus" +"ethoxzolamide" 1089 "Carbonic anhydrase" "Unclassified" "Q5TU56" "Q5TU56_ANOGA" 6.73 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "Anopheles gambiae" +"ethoxzolamide" 1089 "Carbonic anhydrase" "Enzyme" "Q6FTL6" "Q6FTL6_CANGA" 5.51 "Ki" "Inhibition of recombinant full length Candida glabrata NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "Candida glabrata (strain ATCC 2001 / CBS 138 / JCM 3761 / NBRC 0622 / NRRL Y-65)" +"ethyl biscoumacetate" 1091 "Vitamin K epoxide reductase complex subunit 1" "Enzyme" "Q9BQB6" "VKORC1" "VKOR1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"ethylestrenol" 1094 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.366531544 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ethylestrenol" 1094 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.681936665 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ethylestrenol" 1094 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.982966661 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ethylestrenol" 1094 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 6.494850022 "Ki" "DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ethylestrenol" 1094 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 5.186819467 "IC50" "DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ethylestrenol" 1094 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 5.88917469 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"ethylestrenol" 1094 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 7.744727495 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"ethylestrenol" 1094 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 7.585026652 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"ethylestrenol" 1094 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" "Mechanism of Action; CHEMBL1871; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200623" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200623" "AGONIST" "Tclin" "Homo sapiens" +"etynodiol" 1095 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200624" "AGONIST" "Tclin" "Homo sapiens" +"etynodiol" 1095 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 5.367542708 "IC50" "DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"etynodiol" 1095 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.684659523 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"etynodiol" 1095 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 7.677780705 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"etynodiol" 1095 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"etidocaine" 1097 "Sodium channel protein type 4 subunit alpha" "Ion channel" "P35499" "SCN4A" "SCN4A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL492" "BLOCKER" "Tclin" "Homo sapiens" +"etidocaine" 1097 "Sodium channel protein type 2 subunit alpha" "Ion channel" "Q99250" "SCN2A" "SCN2A_HUMAN" "UNKNOWN" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL492" "BLOCKER" "Tclin" "Homo sapiens" +"etidocaine" 1097 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL492" "BLOCKER" "Tclin" "Homo sapiens" +"etidocaine" 1097 "Sodium channel protein type 2 subunit alpha" "Ion channel" "P04775" "Scn2a" "SCN2A_RAT" 6 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2621" "BLOCKER" "Rattus norvegicus" +"etilamfetamine" 1100 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.17999982833862 "Ki" "Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL276443" "Tclin" "Homo sapiens" +"etilefrine" 1101 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/4396765" "http://www.ncbi.nlm.nih.gov/pubmed/4396765" "AGONIST" "Tclin" "Homo sapiens" +"etizolam" 1102 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 8.1 "EC50" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin" "Homo sapiens" +"etizolam" 1102 "GABA-A receptor alpha-2/beta-3/gamma-2" "Ion channel" "P18507|P28472|P47869" "GABRA2|GABRB3|GABRG2" "GBRA2_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" "Tclin|Tclin|Tclin" "Homo sapiens" +"etizolam" 1102 "GABA-A receptor alpha-3/beta-3/gamma-2" "Ion channel" "P18507|P28472|P34903" "GABRA3|GABRB3|GABRG2" "GBRA3_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" "Tclin|Tclin|Tclin" "Homo sapiens" +"etizolam" 1102 "GABA-A receptor alpha-5/beta-3/gamma-2" "Ion channel" "P18507|P28472|P31644" "GABRA5|GABRB3|GABRG2" "GBRA5_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" "Tclin|Tclin|Tclin" "Homo sapiens" +"etodolac" 1103 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.576918042 "IC50" "DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"etodolac" 1103 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 5.7 "IC50" "Inhibition of COX2 in human whole blood assessed as inhibition of TXB2 production by radioimmunoassay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL622" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL622" "INHIBITOR" "Tclin" "Homo sapiens" +"etofylline" 1107 "Adenosine receptor A2b" "GPCR" "P29275" "ADORA2B" "AA2BR_HUMAN" 4.76 "Ki" "Binding affinity at human Adenosine A2B receptor expressed in HEK293 cells, using [125I]ABOPX as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL699" "Tclin" "Homo sapiens" +"etomidate" 1109 "Cytochrome P450 11B1, mitochondrial" "Enzyme" "P15538" "CYP11B1" "C11B1_HUMAN" 9.3 "IC50" "Inhibition of human CYP11B1 expressed in chinese hamster V79 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL681" "Tclin" "Homo sapiens" +"etomidate" 1109 "Cytochrome P450 11B2, mitochondrial" "Enzyme" "P19099" "CYP11B2" "C11B2_HUMAN" 10 "IC50" "Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL681" "Tchem" "Homo sapiens" +"etomidate" 1109 "Acetylcholine receptor subunit delta" "Ion channel" "P02718" "chrnd" "ACHD_TORCA" 4.3 "IC50" "Inhibition of recombinant embryonic mouse muscle Nicotinic Acetylcholine Receptor (3 oocytes)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL681" "Torpedo californica" +"etomidate" 1109 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 5.4559 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL681" "POSITIVE MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"etomidate" 1109 "GABA A receptor alpha-2/beta-2/gamma-2" "Ion channel" "P18507|P47869|P47870" "GABRA2|GABRB2|GABRG2" "GBRA2_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 5.46000003814697 "EC50" "Effective concentration against GABA-evoked chloride currents mediated by human Gamma-aminobutyric acid GABA-A receptor alpha2-beta2-gamma2L expressed in Xenopus oocytes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL681" "Tclin|Tclin|Tclin" "Homo sapiens" +"etomidate" 1109 "Gamma-aminobutyric acid receptor subunit alpha-1" "Ion channel" "P14867" "GABRA1" "GBRA1_HUMAN" 4.96000003814697 "EC50" "Activity at human GABAA alpha-1-beta-2-gamma-2s receptor expressed in HEK293 cells assessed as effect on GABA-induced current at 3 uM by whole cell patch-clamp technique" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL681" "Tclin" "Homo sapiens" +"etonogestrel" 1110 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1531" "AGONIST" "Tclin" "Homo sapiens" +"etonogestrel" 1110 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"etonogestrel" 1110 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 8.23 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1531" "Tchem" "Homo sapiens" +"etoperidone" 1111 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.50863838195801 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"etoperidone" 1111 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.05061006546021 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"etoperidone" 1111 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.63827228546143 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"etoperidone" 1111 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.07058095932007 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"etoposide" 1112 "DNA topoisomerase 2-alpha" "Enzyme" "P11388" "TOP2A" "TOP2A_HUMAN" 7.3 "IC50" "Note: enzyme subunit is not specified in the referenced article" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6815" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL44657" "INHIBITOR" "Tclin" "Homo sapiens" +"etoposide" 1112 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.496617937 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" +"etoposide" 1112 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"etoposide" 1112 "Canalicular multispecific organic anion transporter 2" "Transporter" "O15438" "ABCC3" "MRP3_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"etoposide" 1112 "Multidrug resistance-associated protein 6" "Transporter" "O95255" "ABCC6" "MRP6_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"etoposide" 1112 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"etoposide" 1112 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"etoposide" 1112 "Canalicular multispecific organic anion transporter 1" "Transporter" "Q92887" "ABCC2" "MRP2_HUMAN" 3.2104 "Km" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"etoposide" 1112 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 3.2823 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"etoricoxib" 1113 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "P43116" "PTGER2" "PE2R2_HUMAN" 7.10237312316895 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"etoricoxib" 1113 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.1 "IC50" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2896" "INHIBITOR" "Tclin" "Homo sapiens" +"etoricoxib" 1113 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 4.92 "IC50" "Inhibition of Prostaglandin G/H synthase 1 was measured by the inhibition of PGE-2 produced by microsomes from U937 cells at subsaturating arachidonic acid conc." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL416146" "Tclin" "Homo sapiens" +"etoricoxib" 1113 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 6.28 "IC50" "Inhibitory concentration against p38 alpha MAP kinase calculated by CoMFA model; FlexX score = -18.6kcal/mol " "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL416146" "Tchem" "Homo sapiens" +"etravirine" 1115 "Gag-Pol polyprotein" "Polyprotein" "P03369" "gag-pol" "POL_HV1A2" 9 "IC50" "WOMBAT-PK" "=" "Human immunodeficiency virus type 1 group M subtype B (isolate ARV2/SF2)" +"etravirine" 1115 "Canalicular multispecific organic anion transporter 1" "Transporter" "Q92887" "ABCC2" "MRP2_HUMAN" 5.11 "IC50" "Inhibition of MRP2 expressed in MDCK2 cells assessed as cell growth inhibition by calcein and pheophorbide A efflux assays" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL308954" "Tbio" "Homo sapiens" +"etravirine" 1115 "Cruzipain" "Enzyme" "P25779" "CYSP_TRYCR" 5.4 "IC50" "Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in absence of Triton X-100" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL308954" "Trypanosoma cruzi" +"etravirine" 1115 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.12 "IC50" "Inhibition of MDR1 expressed in MDCK2 cells assessed as inhibition of cell proliferation by calcein and pheophorbide A efflux assays" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL308954" "Tchem" "Homo sapiens" +"etravirine" 1115 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" 5.07 "IC50" "Inhibition of MRP1 expressed in MDCK2 cells assessed as cell growth inhibition by calcein and pheophorbide A efflux assays" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL308954" "Tchem" "Homo sapiens" +"etravirine" 1115 "Canalicular multispecific organic anion transporter 2" "Transporter" "O15438" "ABCC3" "MRP3_HUMAN" 5.29 "IC50" "Inhibition of MRP3 expressed in MDCK2 cells assessed as cell growth inhibition by calcein and pheophorbide A efflux assays" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL308954" "Tbio" "Homo sapiens" +"etravirine" 1115 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" 5.22 "IC50" "Inhibition of BCRP expressed in MDCK2 cells assessed as cell growth inhibition by calcein and pheophorbide A efflux assays" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL308954" "Tchem" "Homo sapiens" +"etravirine" 1115 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" "Mechanism of Action; CHEMBL247; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL308954" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL308954" "INHIBITOR" "Human immunodeficiency virus 1" +"etravirine" 1115 "Reverse transcriptase" "Enzyme" "Q9WKE8" "reverse transcriptas" "Q9WKE8_9HIV1" 8 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL308954" "Human immunodeficiency virus 1" +"etretinate" 1116 "Retinoic acid receptor RXR-gamma" "Nuclear hormone receptor" "P48443" "RXRG" "RXRG_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00459" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL464" "AGONIST" "Tclin" "Homo sapiens" +"etretinate" 1116 "Retinoic acid receptor alpha" "Nuclear hormone receptor" "P10276" "RARA" "RARA_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL464" "AGONIST" "Tclin" "Homo sapiens" +"etryptamine" 1117 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 6.63 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1412355" "Rattus norvegicus" +"etryptamine" 1117 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 7.63 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1412355" "Rattus norvegicus" +"etryptamine" 1117 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 6.19 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1412355" "Rattus norvegicus" +"everolimus" 1118 "Peptidyl-prolyl cis-trans isomerase FKBP1A" "Enzyme" "P62942" "FKBP1A" "FKB1A_HUMAN" 8.25964 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1908360" "INHIBITOR" "Tclin" "Homo sapiens" +"everolimus" 1118 "Serine/threonine-protein kinase mTOR" "Kinase" "P42345" "MTOR" "MTOR_HUMAN" 8.7 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=5889" "INHIBITOR" "Tclin" "Homo sapiens" +"everolimus" 1118 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"exemestane" 1122 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 5.6925 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200374" "INHIBITOR" "Tclin" "Homo sapiens" +"exemestane" 1122 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"exenatide" 1123 "Glucagon-like peptide 1 receptor" "GPCR" "P32301" "Glp1r" "GLP1R_RAT" 9.85 "IC50" "Displacement of [125I]exendin-4 from GLP1 receptor in rat RINm5F cells after 2 hrs by gamma counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL414357" "Rattus norvegicus" +"exenatide" 1123 "Glucagon-like peptide 1 receptor" "GPCR" "P43220" "GLP1R" "GLP1R_HUMAN" 9.18 "IC50" "Displacement of [125I]GLP1 from human GLP1R expressed in CHOK1 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL414357" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL414357" "AGONIST" "Tclin" "Homo sapiens" +"ezetimibe" 1125 "Niemann-Pick C1-like protein 1" "Unclassified" "Q6T3U3" "Npc1l1" "NPCL1_RAT" 6.7 "Ki" "Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1138" "Rattus norvegicus" +"ezetimibe" 1125 "Niemann-Pick C1-like protein 1" "Membrane other" "Q9UHC9" "NPC1L1" "NPCL1_HUMAN" 6.66 "Kd" "Measure of ezetimibe glucuronide binding to NPC1L1" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6816" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1138" "ANTAGONIST" "Tclin" "Homo sapiens" +"fadrozole" 1126 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 10.3 "Ki" "Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michaelis-Menten and Dixon plot analysis" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL9298" "http://www.ncbi.nlm.nih.gov/pubmed/2521224" "INHIBITOR" "Tclin" "Homo sapiens" +"fadrozole" 1126 "Cytochrome P450 11B1, mitochondrial" "Enzyme" "P15538" "CYP11B1" "C11B1_HUMAN" 8.2 "IC50" "Inhibition of human CYP11B1 expressed in V79MZh cells using [14C]-11-deoxycorticosterone as substrate by HPTLC/phosphoimaging method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL9298" "INHIBITOR" "Tclin" "Homo sapiens" +"fadrozole" 1126 "Cytochrome P450 11B2, mitochondrial" "Enzyme" "P19099" "CYP11B2" "C11B2_HUMAN" 9.1 "IC50" "Inhibition of human CYP11B2 expressed in V79MZh cells using [14C]-11-deoxycorticosterone as substrate by HPTLC/phosphoimaging method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL9298" "INHIBITOR" "Tchem" "Homo sapiens" +"fadrozole" 1126 "Cytochrome P450 11B2, mitochondrial" "Unclassified" "P15539" "Cyp11b2" "C11B2_MOUSE" 6.72 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL9298" "Mus musculus" +"famciclovir" 1128 "DNA polymerase catalytic subunit" "Enzyme" "P04293" "DPOL_HHV11" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL880" "INHIBITOR" "Human herpesvirus 1 (strain 17)" +"famciclovir" 1128 "DNA polymerase catalytic subunit" "Enzyme" "P09252" "DPOL_VZVD" "WOMBAT-PK" "Varicella-zoster virus (strain Dumas)" +"famotidine" 1129 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 7.93 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL902" "ANTAGONIST" "Tclin" "Homo sapiens" +"famotidine" 1129 "Heat shock protein HSP 90-alpha" "Cytosolic other" "P07900" "HSP90AA1" "HS90A_HUMAN" 5.3036 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"famotidine" 1129 "Solute carrier family 22 member 3" "Transporter" "O75751" "SLC22A3" "S22A3_HUMAN" 4.97 "IC50" "Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL902" "Tchem" "Homo sapiens" +"famotidine" 1129 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.44 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL902" "Tchem" "Homo sapiens" +"famotidine" 1129 "Histamine H2 receptor" "GPCR" "P47747" "HRH2" "HRH2_CAVPO" 7 "Kd" "In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL902" "Cavia porcellus" +"famotidine" 1129 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 4.44 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL902" "Tchem" "Homo sapiens" +"famotidine" 1129 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 6.12 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL902" "Tchem" "Homo sapiens" +"famprofazone" 1130 "Nuclear receptor subfamily 2 group E member 1" "Nuclear hormone receptor" "Q9Y466" "NR2E1" "NR2E1_HUMAN" 5.18045616149902 "Kd" "orthogonal direct binding assay" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/24936658" "Tbio" "Homo sapiens" +"fasudil" 1132 "C-C motif chemokine 2" "Cytokine" "P13500" "CCL2" "CCL2_HUMAN" 5.16 "IC50" "Inhibition of MCP1-mediated human THP cell migration" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38380" "Tchem" "Homo sapiens" +"fasudil" 1132 "Rho-associated protein kinase 1" "Kinase" "Q13464" "ROCK1" "ROCK1_HUMAN" 7 "Ki" "Inhibition of ROCK-1" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38380" "http://www.ncbi.nlm.nih.gov/pubmed/10644512" "INHIBITOR" "Tclin" "Homo sapiens" +"fasudil" 1132 "Protein kinase C epsilon type" "Kinase" "Q02156" "PRKCE" "KPCE_HUMAN" 5.52 "IC50" "Inhibition of PKCepsilon" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38380" "Tchem" "Homo sapiens" +"fasudil" 1132 "Ribosomal protein S6 kinase alpha-5" "Kinase" "O75582" "RPS6KA5" "KS6A5_HUMAN" 5.3 "IC50" "Inhibition of His-tagged human MSK1 expressed in Sf9 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38380" "Tchem" "Homo sapiens" +"fasudil" 1132 "Myosin light chain kinase, smooth muscle" "Kinase" "Q15746" "MYLK" "MYLK_HUMAN" 4.44 "Ki" "Inhibition of MLCK by HTRF assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38380" "Tchem" "Homo sapiens" +"fasudil" 1132 "Rho-associated protein kinase 2" "Kinase" "Q62868" "Rock2" "ROCK2_RAT" 5.72 "IC50" "Inhibition of rat ROCK2 expressed in Sf9 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38380" "Rattus norvegicus" +"fasudil" 1132 "Rho-associated protein kinase 2" "Kinase" "O75116" "ROCK2" "ROCK2_HUMAN" 7.11 "Kd" "Displacement of fluorescent-ARC-1063 from His6-tagged recombinant human ROCK2 by luminescence intensity assay" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38380" "http://www.ncbi.nlm.nih.gov/pubmed/10644512" "INHIBITOR" "Tclin" "Homo sapiens" +"fasudil" 1132 "Serine/threonine-protein kinase N2" "Kinase" "Q16513" "PKN2" "PKN2_HUMAN" 6.11 "IC50" "Inhibition of PKN2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38380" "Tchem" "Homo sapiens" +"fasudil" 1132 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.6 "Ki" "Displacement of [3H]dofetilide from human ERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38380" "Tclin" "Homo sapiens" +"fasudil" 1132 "Serine/threonine-protein kinase N1" "Kinase" "Q16512" "PKN1" "PKN1_HUMAN" 5.77 "IC50" "Inhibition of Protein kinase C related kinase 1 (PRK1)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38380" "Tchem" "Homo sapiens" +"fasudil" 1132 "cAMP-dependent protein kinase catalytic subunit alpha" "Kinase" "P17612" "PRKACA" "KAPCA_HUMAN" 5.80999994277954 "AC50" "PUBCHEM_BIOASSAY: Protein Kinase A Activity Assay Measured in Biochemical System Using Plate Reader - 2052-04_Inhibitor_Dose_DryPowder_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2689]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38380" "Tchem" "Homo sapiens" +"febuxostat" 1137 "Xanthine dehydrogenase/oxidase" "Enzyme" "P47989" "XDH" "XDH_HUMAN" 9.22 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1164729" "INHIBITOR" "Tclin" "Homo sapiens" +"febuxostat" 1137 "Xanthine dehydrogenase/oxidase" "Enzyme" "P80457" "XDH" "XDH_BOVIN" 8.52 "IC50" "Inhibition of bovine xanthine oxidase by spectrophotometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1164729" "Bos taurus" +"febuxostat" 1137 "Xanthine dehydrogenase/oxidase" "Enzyme" "P22985" "Xdh" "XDH_RAT" 8.4 "IC50" "Inhibition of rat xanthine oxidase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1164729" "Rattus norvegicus" +"febuxostat" 1137 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 7.44 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"felbamate" 1140 "Glutamate receptor ionotropic, NMDA 2B" "Ion channel" "Q13224" "GRIN2B" "NMDE2_HUMAN" 4.284 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1094" "ANTAGONIST" "Tclin" "Homo sapiens" +"felbamate" 1140 "Glutamate receptor ionotropic, NMDA 2A" "Ion channel" "Q12879" "GRIN2A" "NMDE1_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00949" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1094" "ANTAGONIST" "Tclin" "Homo sapiens" +"felbinac" 1141 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 6.048662481 "IC50" "DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01675" "INHIBITOR" "Tclin" "Homo sapiens" +"felbinac" 1141 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" "Mechanism of Action" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01675" "http://www.kegg.jp/entry/D01675" "INHIBITOR" "Tclin" "Homo sapiens" +"felodipine" 1142 "Voltage-dependent L-type calcium channel subunit alpha-1D" "Ion channel" "Q01668" "CACNA1D" "CAC1D_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1480" "BLOCKER" "Tclin" "Homo sapiens" +"felodipine" 1142 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1480" "BLOCKER" "Tclin" "Homo sapiens" +"felodipine" 1142 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 6.224025669 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"felodipine" 1142 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.339181937 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"felodipine" 1142 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 5.1675 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"felodipine" 1142 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 6.5229 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"felodipine" 1142 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.43 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1480" "Tclin|Tclin|Tclin" "Homo sapiens" +"felodipine" 1142 "Bile acid receptor" "Nuclear hormone receptor" "Q96RI1" "NR1H4" "NR1H4_HUMAN" 5.3 "IC50" "Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1480" "Tclin" "Homo sapiens" +"felodipine" 1142 "Cystic fibrosis transmembrane conductance regulator" "Ion channel" "P13569" "CFTR" "CFTR_HUMAN" 8.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4190" "ACTIVATOR" "Tclin" "Homo sapiens" +"fenbufen" 1145 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 5.09 "IC50" "Inhibition of ovine COX2 by enzyme-immuno assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL277522" "Ovis aries" +"fenbufen" 1145 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 5.41 "IC50" "Inhibition of ovine COX1 by enzyme-immuno assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL277522" "Ovis aries" +"fenbufen" 1145 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" "WOMBAT-PK" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/6356910" "INHIBITOR" "Tclin" "Homo sapiens" +"fenbufen" 1145 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" "WOMBAT-PK" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/6356910" "INHIBITOR" "Tclin" "Homo sapiens" +"fendiline" 1148 "Extracellular calcium-sensing receptor" "GPCR" "P41180" "CASR" "CASR_HUMAN" 6 "EC50" "Positive allosteric modulation of human CaSR transfected in CHO cells after 5 hrs by luciferase reporter gene assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL254832" "Tclin" "Homo sapiens" +"fendiline" 1148 "Transcriptional activator protein luxR" "Unclassified" "P12746" "luxR" "LUXR_ALIFS" 4.04 "IC50" "Inhibition of LuxR-dependent quorum sensing in Vibrio fischeri assessed as reduction of 3-oxo-C6-HSL-induced bioluminescence intensity" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL254832" "Aliivibrio fischeri" +"fendiline" 1148 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.49 "Ki" "Displacement of [3H]LSD from human cloned 5HT2B receptor expressed in CHO cells by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL254832" "Tclin" "Homo sapiens" +"fendiline" 1148 "Extracellular calcium-sensing receptor" "GPCR" "P35384" "CASR" "CASR_BOVIN" 4.92081880569458 "EC50" "increase in intracellular Ca2+ in bovine parathyroid cells" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/9520489" "POSITIVE ALLOSTERIC MODULATOR" "Bos taurus" +"fenfluramine" 1150 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 6.847711656 "Ki" "PDSP" "Tclin" "Homo sapiens" +"fenfluramine" 1150 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.735182177 "Ki" "PDSP" "Tclin" "Homo sapiens" +"fenfluramine" 1150 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.716698771 "Ki" "PDSP" "Tclin" "Homo sapiens" +"fenfluramine" 1150 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 6.57024772 "Ki" "PDSP" "Tclin" "Homo sapiens" +"fenfluramine" 1150 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.428291168 "Ki" "PDSP" "Tclin" "Homo sapiens" +"fenfluramine" 1150 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.397940009 "Ki" "PDSP" "Tclin" "Homo sapiens" +"fenfluramine" 1150 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 6.195179321 "Ki" "PDSP" "Tclin" "Homo sapiens" +"fenfluramine" 1150 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.175874166 "Ki" "PDSP" "Tclin" "Homo sapiens" +"fenfluramine" 1150 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.171984936 "Ki" "PDSP" "Tclin" "Homo sapiens" +"fenfluramine" 1150 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.016373713 "Ki" "PDSP" "Tclin" "Homo sapiens" +"fenfluramine" 1150 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.003926346 "Ki" "PDSP" "Tclin" "Homo sapiens" +"fenfluramine" 1150 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.844663963 "Ki" "PDSP" "Tclin" "Homo sapiens" +"fenfluramine" 1150 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.790484985 "Ki" "PDSP" "Tclin" "Homo sapiens" +"fenfluramine" 1150 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 5.735890844 "Ki" "PDSP" "Tclin" "Homo sapiens" +"fenfluramine" 1150 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.72607322 "Ki" "PDSP" "Tclin" "Homo sapiens" +"fenfluramine" 1150 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.489053051 "Ki" "PDSP" "Tclin" "Homo sapiens" +"fenfluramine" 1150 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 5.377785977 "Ki" "PDSP" "Tclin" "Homo sapiens" +"fenfluramine" 1150 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.167299529 "Ki" "PDSP" "Tclin" "Homo sapiens" +"fenfluramine" 1150 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.111202933 "Ki" "PDSP" "Tclin" "Homo sapiens" +"fenfluramine" 1150 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.041914151 "Ki" "PDSP" "Tchem" "Homo sapiens" +"fenofibrate" 1152 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 4.67302955 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"fenofibrate" 1152 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.218244625 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"fenofibrate" 1152 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.905878404 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"fenofibrate" 1152 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 4.33059943 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"fenofibrate" 1152 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 4.031708557 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"fenofibrate" 1152 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.163739197 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"fenofibrate" 1152 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.491874464 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"fenofibrate" 1152 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 4.808241679 "IC50" "DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"fenofibrate" 1152 "Cruzipain" "Enzyme" "P25779" "CYSP_TRYCR" 4.21 "IC50" "Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in absence of Triton X-100" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL672" "Trypanosoma cruzi" +"fenofibrate" 1152 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 7.74 "Kd" "Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 5 deg C by fluorimetric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL672" "Rattus norvegicus" +"fenofibrate" 1152 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 6.24 "EC50" "In vitro activation of human peroxisome proliferator activated receptor gamma (PPAR gamma)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL672" "Tclin" "Homo sapiens" +"fenofibrate" 1152 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 6 "IC50" "Inhibition of human PPARalpha receptor by scintillation proximity assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL672" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL672" "AGONIST" "Tclin" "Homo sapiens" +"fenoldopam" 1153 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 6.96040916442871 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"fenoldopam" 1153 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 6.5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=939" "AGONIST" "Tchem" "Homo sapiens" +"fenoldopam" 1153 "D(2) dopamine receptor" "GPCR" "P20288" "DRD2" "DRD2_BOVIN" 6.1 "Ki" "Compound was tested for inhibition of [3H]spiroperidol binding against Dopamine receptor D2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL588" "Bos taurus" +"fenoldopam" 1153 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.09 "Ki" "Affinity towards Dopamine receptor D2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL588" "Tclin" "Homo sapiens" +"fenoldopam" 1153 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.55 "Kd" "Equilibrium dissociation constant against recombinant Dopamine receptor D1A expressed in COS7 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL588" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL588" "AGONIST" "Tclin" "Homo sapiens" +"fenoldopam" 1153 "Lysine-specific demethylase 4E" "Enzyme" "B2RXH2" "KDM4E" "KDM4E_HUMAN" 5.72 "Ki" "Non-competitive inhibition of JMJD2E relative to alpha-ketoglutarate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL588" "Tchem" "Homo sapiens" +"fenoldopam" 1153 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 8.52 "Ki" "Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL588" "Rattus norvegicus" +"fenoldopam" 1153 "Adrenergic receptor alpha-1" "GPCR" "P25100|P35348|P35368" "ADRA1A|ADRA1B|ADRA1D" "ADA1A_HUMAN|ADA1B_HUMAN|ADA1D_HUMAN" 5.3 "Kd" "Activity at alpha-1 adrenergic receptor in rabbit aorta rings" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL588" "Tclin|Tclin|Tclin" "Homo sapiens" +"fenoldopam" 1153 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 5.89 "Kd" "In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membranes." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL588" "Rattus norvegicus" +"fenoldopam" 1153 "FAD-linked sulfhydryl oxidase ALR" "Enzyme" "P55789" "GFER" "ALR_HUMAN" 5.8600001335144 "AC50" "PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL588" "Tchem" "Homo sapiens" +"fenoldopam" 1153 "Adenosine A2b receptor" "GPCR" "P29276" "Adora2b" "AA2BR_RAT" 7.45 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL588" "Rattus norvegicus" +"fenoprofen" 1154 "Cyclooxygenase" "Enzyme" "O62664|O62698" "PTGS1|PTGS2" "PGH1_BOVIN|PGH2_BOVIN" 4.01 "IC50" "Evaluated for the inhibition of Prostaglandin synthetase obtained from bovine seminal vesicles at the dose of 20 mg/kg (p.o.)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1297" "Bos taurus" +"fenoprofen" 1154 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.36 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1297" "INHIBITOR" "Tclin" "Homo sapiens" +"fenoprofen" 1154 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 5.23 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1297" "INHIBITOR" "Tclin" "Homo sapiens" +"fenoprofen" 1154 "Sodium-coupled monocarboxylate transporter 1" "Transporter" "Q8N695" "SLC5A8" "SC5A8_HUMAN" 4.57 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4820" "INHIBITOR" "Tbio" "Homo sapiens" +"fenoterol" 1155 "Beta-2 adrenergic receptor" "GPCR" "Q8K4Z4" "Adrb2" "ADRB2_CAVPO" 7.22 "IC50" "In vitro inhibitory concentration Beta-2 adrenergic receptor in Guinea pig trachea" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL32800" "Cavia porcellus" +"fenoterol" 1155 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.9 "EC50" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=557" "AGONIST" "Tclin" "Homo sapiens" +"fentanyl" 1164 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 9.0014 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL596" "AGONIST" "Tclin" "Homo sapiens" +"fentanyl" 1164 "Kappa-type opioid receptor" "GPCR" "P41144" "OPRK1" "OPRK_CAVPO" 6.71 "Ki" "Binding affinity towards Opioid receptor kappa 1 using [3H]U-69593 as radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL596" "Cavia porcellus" +"fentanyl" 1164 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 6.71 "Ki" "Binding affinity against Opioid receptor kappa 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL596" "Tclin" "Homo sapiens" +"fentanyl" 1164 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 6.17 "Ki" "Binding affinity against Opioid receptor delta 1 in guinea pig brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL596" "Tclin" "Homo sapiens" +"fentanyl" 1164 "Delta-type opioid receptor" "GPCR" "P32300" "Oprd1" "OPRD_MOUSE" 8.03 "IC50" "Inhibition of delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL596" "Mus musculus" +"fentanyl" 1164 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.74 "IC50" "Inhibitory concentration against potassium channel HERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL596" "Tclin" "Homo sapiens" +"fentanyl" 1164 "Mu-type opioid receptor" "GPCR" "P97266" "OPRM1" "OPRM_CAVPO" 8.07 "Ki" "Binding affinity against mu opioid receptor in guinea pig brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL596" "Cavia porcellus" +"fentanyl" 1164 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 4.7 "IC50" "Displacement of [3H]mepyramine from histamine H1 receptor in Sprague-Dawley rat brain membrane after 2 hr by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL596" "Rattus norvegicus" +"fentanyl" 1164 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprk1|Oprm1|Sigmar1" "OPRD_RAT|OPRK_RAT|OPRM_RAT|SGMR1_RAT" 8.67 "Ki" "In vitro affinity to displace [3H]naloxone from opiate receptor in freshly prepared rat brain homogenates" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL596" "Rattus norvegicus" +"fentanyl" 1164 "Delta-type opioid receptor" "GPCR" "P33533" "Oprd1" "OPRD_RAT" 6.4 "Ki" "Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL596" "Rattus norvegicus" +"fentanyl" 1164 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 8.82 "Ki" "Inhibition of [3H]DAMGO binding to mu opioid receptor of rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL596" "Rattus norvegicus" +"fentanyl" 1164 "Monoamine oxidase" "Enzyme" "P21397|P27338" "MAOA|MAOB" "AOFA_HUMAN|AOFB_HUMAN" 5.26 "Ki" "Displacement of [3H]2-BFI (1 nM) from imidazoline receptor I-2 in human brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL596" "Tclin|Tclin" "Homo sapiens" +"fentanyl" 1164 "Mu-type opioid receptor" "GPCR" "P42866" "Oprm1" "OPRM_MOUSE" 8.23 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL596" "Mus musculus" +"fentiazac" 1165 "Prostaglandin D2 receptor 2" "GPCR" "Q9Y5Y4" "PTGDR2" "PD2R2_HUMAN" 6.26 "IC50" "Displacement of[3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL589092" "Tchem" "Homo sapiens" +"fexofenadine" 1170 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL914" "ANTAGONIST" "Tclin" "Homo sapiens" +"fexofenadine" 1170 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.699 "Km" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"fexofenadine" 1170 "Solute carrier organic anion transporter family member 1A2" "Unclassified" "P46721" "SLCO1A2" "SO1A2_HUMAN" 5.699 "Km" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"fexofenadine" 1170 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.67 "IC50" "Inhibition of human ERG in MCF7 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL914" "Tclin" "Homo sapiens" +"finasteride" 1171 "3-oxo-5-alpha-steroid 4-dehydrogenase 2" "Enzyme" "P31213" "SRD5A2" "S5A2_HUMAN" 8.26 "IC50" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/020788s024lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"finasteride" 1171 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.698970004 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"finasteride" 1171 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"finasteride" 1171 "3-oxo-5-alpha-steroid 4-dehydrogenase 1" "Enzyme" "P18405" "SRD5A1" "S5A1_HUMAN" 7.58 "IC50" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/020788s024lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"finasteride" 1171 "3-oxo-5-alpha-steroid 4-dehydrogenase 1" "Enzyme" "P24008" "Srd5a1" "S5A1_RAT" 8.17 "Ki" "Inhibition of recombinant Steroid 5-alpha-reductase type I was evaluated as binding affinity (in vitro)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL710" "Rattus norvegicus" +"finasteride" 1171 "3-oxo-5-alpha-steroid 4-dehydrogenase 2" "Enzyme" "P31214" "Srd5a2" "S5A2_RAT" 9.55 "IC50" "Inhibitory activity was measured on rat Steroid 5-alpha-reductase type 2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL710" "Rattus norvegicus" +"finasteride" 1171 "Steroid 5-alpha-reductase" "Enzyme" "P24008|P31214" "Srd5a1|Srd5a2" "S5A1_RAT|S5A2_RAT" 7.26 "Ki" "Ability to inhibit Steroid 5-alpha-reductase in rat using Enzyme kinetics method." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL710" "Rattus norvegicus" +"finasteride" 1171 "3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1" "Enzyme" "P14060" "HSD3B1" "3BHS1_HUMAN" 4.96 "Ki" "Binding affinity for 3-beta-hydroxysteroid dehydrogenase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL710" "Tchem" "Homo sapiens" +"flavoxate" 1175 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.704426303 "Ki" "DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"flavoxate" 1175 "Phosphodiesterase 4" "Enzyme" "P27815|Q07343|Q08493|Q08499" "PDE4A|PDE4B|PDE4C|PDE4D" "PDE4A_HUMAN|PDE4B_HUMAN|PDE4C_HUMAN|PDE4D_HUMAN" "Mechanism of Action; CHEMBL2093863; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1493" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1493" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"flavoxate" 1175 "Phosphodiesterase 7" "Enzyme" "Q13946|Q9NP56" "PDE7A|PDE7B" "PDE7A_HUMAN|PDE7B_HUMAN" "Mechanism of Action; CHEMBL2111411; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1493" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1493" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"flavoxate" 1175 "Phosphodiesterase 8" "Enzyme" "O60658|O95263" "PDE8A|PDE8B" "PDE8A_HUMAN|PDE8B_HUMAN" "Mechanism of Action; CHEMBL2363067; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1493" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1493" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"flecainide" 1176 "Potassium voltage-gated channel subfamily A member 7" "Ion channel" "Q96RP8" "KCNA7" "KCNA7_HUMAN" 5.1 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2560" "BLOCKER" "Tclin" "Homo sapiens" +"flecainide" 1176 "Potassium voltage-gated channel subfamily A member 5" "Ion channel" "P22460" "KCNA5" "KCNA5_HUMAN" 4 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2560" "BLOCKER" "Tclin" "Homo sapiens" +"flecainide" 1176 "Sodium channel protein type 4 subunit alpha" "Ion channel" "P35499" "SCN4A" "SCN4A_HUMAN" 4.7447 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"flecainide" 1176 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4" "Ion channel" "Q9Y3Q4" "HCN4" "HCN4_HUMAN" 2.7696 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"flecainide" 1176 "Potassium voltage-gated channel subfamily D member 2" "Unclassified" "Q63881" "Kcnd2" "KCND2_RAT" 5 "IC50" "Inhibition of rat potassium channel Kv4.2 by patch-clamp method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL652" "Rattus norvegicus" +"flecainide" 1176 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" 5.19 "IC50" "Inhibition of human heart sodium channel Nav1.5 by patch-clamp method" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL652" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL652" "BLOCKER" "Tclin" "Homo sapiens" +"flecainide" 1176 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.41 "IC50" "Inhibition of human Potassium channel HERG expressed in mammalian cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL652" "Tclin" "Homo sapiens" +"flecainide" 1176 "Potassium voltage-gated channel subfamily C member 1" "Unclassified" "P15388" "Kcnc1" "KCNC1_MOUSE" 4 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2560" "BLOCKER" "Mus musculus" +"fleroxacin" 1177 "DNA gyrase subunit A" "Enzyme" "P0AES4" "gyrA" "GYRA_ECOLI" 4.79 "IC50" "WOMBAT-PK" "=" "Escherichia coli (strain K12)" +"floctafenine" 1178 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 5.95860719680786 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/23755755" "http://www.ncbi.nlm.nih.gov/pubmed/23755755" "INHIBITOR" "Tclin" "Homo sapiens" +"floctafenine" 1178 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 6.26760625839233 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/23755755" "http://www.ncbi.nlm.nih.gov/pubmed/23755755" "INHIBITOR" "Tclin" "Homo sapiens" +"flopropione" 1180 "Catechol O-methyltransferase" "Enzyme" "P21964" "COMT" "COMT_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://eisai.jp/medical/products/di/EPI/CSP_C_EPI.pdf" "http://eisai.jp/medical/products/di/EPI/CSP_C_EPI.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"floxacillin" 1183 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" +"floxacillin" 1183 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 6.25 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"floxacillin" 1183 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 4.19 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"floxuridine" 1184 "Thymidylate synthase" "Enzyme" "P04818" "TYMS" "TYSY_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00322" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL917" "INHIBITOR" "Tclin" "Homo sapiens" +"floxuridine" 1184 "Thymidylate synthase" "Enzyme" "P07607" "Tyms" "TYSY_MOUSE" 9.4 "IC50" "Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxyuridine after preincubation for 4 hrs by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL917" "Mus musculus" +"fluconazole" 1187 "Lanosterol 14-alpha demethylase" "Enzyme" "P10613" "ERG11" "CP51_CANAL" 6.699 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL106" "INHIBITOR" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"fluconazole" 1187 "Lanosterol 14-alpha demethylase" "Enzyme" "Q16850" "CYP51A1" "CP51A_HUMAN" 4.4 "Kd" "Binding affinity to human His-tagged CYP51 expressed in Escherichia coli" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL106" "Tchem" "Homo sapiens" +"fluconazole" 1187 "Lanosterol 14-alpha demethylase" "Enzyme" "P9WPP9" "cyp51" "CP51_MYCTU" 6.7 "Kd" "Binding affinity to Mycobacterium tuberculosis CYP51" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL106" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"fluconazole" 1187 "14-alpha sterol demethylase" "Enzyme" "Q96W81" "cyp51B" "Q96W81_ASPFM" 5.39 "Kd" "Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme B expressed in Escherichia coli" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL106" "Neosartorya fumigata" +"fluconazole" 1187 "14-alpha sterol demethylase Cyp51A" "Enzyme" "Q4WNT5" "Q4WNT5_ASPFU" 4.92 "Kd" "Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme A expressed in Escherichia coli" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL106" "Neosartorya fumigata (strain ATCC MYA-4609 / Af293 / CBS 101355 / FGSC A1100)" +"fluconazole" 1187 "Mycocyclosin synthase" "Enzyme" "P9WPP7" "cyp121" "CP121_MYCTU" 5.22 "Kd" "Binding affinity to Mycobacterium tuberculosis CYP121" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL106" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"fluconazole" 1187 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.1 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL106" "Tclin" "Homo sapiens" +"fluconazole" 1187 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 4.54 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL106" "Tchem" "Homo sapiens" +"fluconazole" 1187 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 5.09 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL106" "Tchem" "Homo sapiens" +"flucytosine" 1188 "Thymidylate synthase" "Enzyme" "P0CS13" "TMP1" "TYSY_CRYNB" "Mechanism of Action; CHEMBL4665; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1463" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1463" "INHIBITOR" "Cryptococcus neoformans var. neoformans serotype D (strain B-3501A)" +"flucytosine" 1188 "Thymidylate synthase" "Enzyme" "P12461" "TMP1" "TYSY_CANAL" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB01099" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1463" "INHIBITOR" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"flucytosine" 1188 "ATP-dependent molecular chaperone HSP82" "Cytosolic other" "P02829" "HSP82" "HSP82_YEAST" 6.15 "EC50" "WOMBAT-PK" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"flucytosine" 1188 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.1 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"fludarabine phosphate" 1189 "DNA polymerase alpha catalytic subunit" "Enzyme" "P09884" "POLA1" "DPOLA_HUMAN" "WOMBAT-PK" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2010/020038s033lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"fludarabine phosphate" 1189 "Ribonucleoside-diphosphate reductase subunit M2" "Enzyme" "P31350" "RRM2" "RIR2_HUMAN" 6 "IC50" "Inhibition of ADP reduction by ribonucleotide reductase from HeLa cells" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4802" "INHIBITOR" "Tclin" "Homo sapiens" +"fludarabine phosphate" 1189 "Ribonucleoside-diphosphate reductase large subunit" "Enzyme" "P23921" "RRM1" "RIR1_HUMAN" 6 "IC50" "Inhibition of ADP reduction by ribonucleotide reductase from HeLa cells" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4802" "INHIBITOR" "Tclin" "Homo sapiens" +"fludarabine phosphate" 1189 "Adenosine receptor A3" "GPCR" "P28647" "Adora3" "AA3R_RAT" 4.98 "Ki" "Binding affinity determined by displacement of specific binding of [125I]N-(4-amino-3-iodophenethyl)-adenosine in membranes of CHO cells stably transfected with the rat adenosine A3 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1568" "Rattus norvegicus" +"fludarabine phosphate" 1189 "Adenosine receptor A2a" "GPCR" "P30543" "Adora2a" "AA2AR_RAT" 7.55 "Ki" "Binding affinity to adenosine A2A receptor in rat striatal membranes by measuring displacement of specific [3H]-CGS- 21680 as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1568" "Rattus norvegicus" +"fludarabine phosphate" 1189 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 8.23 "Ki" "Binding affinity to adenosine A1 receptor in rat brain membranes by measuring displacement of specific [3H]PIA as radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1568" "Rattus norvegicus" +"fludrocortisone acetate" 1191 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 9.92 "IC50" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2873" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201010" "AGONIST" "Tclin" "Homo sapiens" +"fludrocortisone acetate" 1191 "Annexin A1" "Cytosolic other" "P04083" "ANXA1" "ANXA1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"fludrocortisone acetate" 1191 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.2 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"flufenamic acid" 1193 "Taste receptor type 2 member 14" "GPCR" "Q9NYV8" "TAS2R14" "T2R14_HUMAN" 6.86327934265137 "EC50" "calcium imaging in ransfected human embryonic kidney (HEK)-293T" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/20022913" "AGONIST" "Tbio" "Homo sapiens" +"flufenamic acid" 1193 "Myeloperoxidase" "Enzyme" "P05164" "MPO" "PERM_HUMAN" 5.74 "IC50" "Inhibition of chlorinating activity of recombinant myeloperoxidase by taurine assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL23588" "Tchem" "Homo sapiens" +"flufenamic acid" 1193 "Transient receptor potential cation channel subfamily M member 4" "Ion channel" "Q8TD43" "TRPM4" "TRPM4_HUMAN" 5.55 "IC50" "GRAC: human TRPM4 blocker" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL23588" "Tchem" "Homo sapiens" +"flufenamic acid" 1193 "Transient receptor potential cation channel subfamily M member 2" "Ion channel" "O94759" "TRPM2" "TRPM2_HUMAN" 4.15 "IC50" "Inhibition of human recombinant TRPM2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL23588" "Tchem" "Homo sapiens" +"flufenamic acid" 1193 "Aldose reductase" "Enzyme" "P15121" "AKR1B1" "ALDR_HUMAN" 4 "IC50" "In vitro inhibition of rabbit lens aldose reductase." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL23588" "Tclin" "Homo sapiens" +"flufenamic acid" 1193 "Transient receptor potential cation channel subfamily M member 5" "Ion channel" "Q9NZQ8" "TRPM5" "TRPM5_HUMAN" 4.6198 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"flufenamic acid" 1193 "Aldo-keto reductase family 1 member C3" "Enzyme" "P42330" "AKR1C3" "AK1C3_HUMAN" 6.1 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"flufenamic acid" 1193 "Aldo-keto reductase family 1 member C2" "Enzyme" "P52895" "AKR1C2" "AK1C2_HUMAN" 6 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"flufenamic acid" 1193 "Aldo-keto reductase family 1 member C1" "Enzyme" "Q04828" "AKR1C1" "AK1C1_HUMAN" 5.22 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"flufenamic acid" 1193 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 4.12 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"flufenamic acid" 1193 "Transthyretin" "Secreted" "P02766" "TTR" "TTHY_HUMAN" 7.25 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"flufenamic acid" 1193 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.52 "IC50" "WOMBAT-PK" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01581" "INHIBITOR" "Tclin" "Homo sapiens" +"flufenamic acid" 1193 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.93 "IC50" "WOMBAT-PK" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01581" "INHIBITOR" "Tclin" "Homo sapiens" +"flufenamic acid" 1193 "Aldo-keto reductase family 1 member B10" "Enzyme" "O60218" "AKR1B10" "AK1BA_HUMAN" 6.11999988555908 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL23588" "Tchem" "Homo sapiens" +"flufenamic acid" 1193 "Potassium channel subfamily T member 2" "Ion channel" "Q6UVM3" "KCNT2" "KCNT2_HUMAN" 8.85 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2447" "ACTIVATOR" "Tbio" "Homo sapiens" +"flufenamic acid" 1193 "Transient receptor potential cation channel subfamily M member 4" "Unclassified" "Q7TN37" "Trpm4" "TRPM4_MOUSE" 5.6 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2447" "GATING INHIBITOR" "Mus musculus" +"fluindione" 1194 "Arachidonate 5-lipoxygenase" "Enzyme" "P12527" "Alox5" "LOX5_RAT" 5.02 "IC50" "In vitro inhibition of 5-lipoxygenase activity in RBL-1 cells." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24924" "Rattus norvegicus" +"flumazenil" 1195 "GABA A receptor alpha-6/beta-2/gamma-2" "Ion channel" "P18508|P30191|P63138" "Gabra6|Gabrb2|Gabrg2" "GBRA6_RAT|GBRB2_RAT|GBRG2_RAT" 7.82 "Ki" "Binding affinity for mutant rat GABA-A receptor alpha-6-(his,thr,gly)beta2gamma2 subunits expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL407" "Rattus norvegicus" +"flumazenil" 1195 "GABA-A receptor; anion channel" "Ion channel" "O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14" "Gabra1|Gabra2|Gabra3|Gabra4|Gabra5|Gabra6|Gabrb1|Gabrb2|Gabrb3|Gabrd|Gabre|Gabrg1|Gabrg2|Gabrg3|Gabrp|Gabrq" "GBRA1_RAT|GBRA2_RAT|GBRA3_RAT|GBRA4_RAT|GBRA5_RAT|GBRA6_RAT|GBRB1_RAT|GBRB2_RAT|GBRB3_RAT|GBRD_RAT|GBRE_RAT|GBRG1_RAT|GBRG2_RAT|GBRG3_RAT|GBRP_RAT|Q91ZM7_RAT" 9.1 "Ki" "Binding affinity against Diazepam sensitive (DS) Gamma-aminobutyric acid A receptor in rat cerebellum." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL407" "Rattus norvegicus" +"flumazenil" 1195 "GABA-A receptor; anion channel" "Ion channel" "P08219|P08220|P10063|P10064|P20237|P22300" "GABRA1|GABRA2|GABRA3|GABRA4|GABRB1|GABRG2" "GBRA1_BOVIN|GBRA2_BOVIN|GBRA3_BOVIN|GBRA4_BOVIN|GBRB1_BOVIN|GBRG2_BOVIN" 10.05 "Ki" "Displacement of [3H]- Ro.15-1788 from GABA-A central Benzodiazepine receptor (BzR) of Bovine cerebral cortex membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL407" "Bos taurus" +"flumazenil" 1195 "Gamma-aminobutyric acid receptor subunit alpha-4" "Ion channel" "P48169" "GABRA4" "GBRA4_HUMAN" 8.7 "Ki" "Displacement of [3H]Ro-154513 from benzodiazepine binding site of GABAA alpha-4-beta-2-gamma-2 receptor expressed in HEK293T cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL407" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL407" "ALLOSTERIC ANTAGONIST" "Tclin" "Homo sapiens" +"flumazenil" 1195 "GABA-A receptor; alpha-1/beta-2/gamma-2" "Ion channel" "P18508|P62813|P63138" "Gabra1|Gabrb2|Gabrg2" "GBRA1_RAT|GBRB2_RAT|GBRG2_RAT" 9.3 "Ki" "Binding affinity for rat GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL407" "Rattus norvegicus" +"flumazenil" 1195 "GABA A receptor alpha-3/beta-2/gamma-2" "Ion channel" "P18508|P20236|P63138" "Gabra3|Gabrb2|Gabrg2" "GBRA3_RAT|GBRB2_RAT|GBRG2_RAT" 9.22 "Ki" "Binding affinity for rat GABA-A receptor alpha-3-beta-2-gamma-2 subunits expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL407" "Rattus norvegicus" +"flumazenil" 1195 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRB3|GABRG2" "GBRA1_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 9.0969 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL407" "ALLOSTERIC ANTAGONIST" "Tclin|Tclin|Tclin" "Homo sapiens" +"flumazenil" 1195 "GABA-A receptor alpha-2/beta-3/gamma-2" "Ion channel" "P18507|P28472|P47869" "GABRA2|GABRB3|GABRG2" "GBRA2_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 9.0458 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL407" "ALLOSTERIC ANTAGONIST" "Tclin|Tclin|Tclin" "Homo sapiens" +"flumazenil" 1195 "GABA-A receptor alpha-3/beta-3/gamma-2" "Ion channel" "P18507|P28472|P34903" "GABRA3|GABRB3|GABRG2" "GBRA3_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 8.9788 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL407" "ALLOSTERIC ANTAGONIST" "Tclin|Tclin|Tclin" "Homo sapiens" +"flumazenil" 1195 "GABA-A receptor alpha-5/beta-3/gamma-2" "Ion channel" "P18507|P28472|P31644" "GABRA5|GABRB3|GABRG2" "GBRA5_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 9.2218 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL407" "ALLOSTERIC ANTAGONIST" "Tclin|Tclin|Tclin" "Homo sapiens" +"flumazenil" 1195 "GABA-A receptor alpha-6/beta-3/gamma-2" "Ion channel" "P18507|P28472|Q16445" "GABRA6|GABRB3|GABRG2" "GBRA6_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 6.8297 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL407" "ALLOSTERIC ANTAGONIST" "Tclin|Tclin|Tclin" "Homo sapiens" +"flumazenil" 1195 "Gamma-aminobutyric acid receptor subunit alpha-5" "Ion channel" "P31644" "GABRA5" "GBRA5_HUMAN" 9.30000019073486 "Kd" "Binding affinity to GABAA alpha-5-beta-2-gamma-2 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL407" "Tclin" "Homo sapiens" +"flumazenil" 1195 "GABA-A receptor; anion channel" "Ion channel" "O00591|O14764|P14867|P18505|P18507|P28472|P31644|P34903|P47869|P47870|P48169|P78334|Q16445|Q8N1C3|Q99928|Q9UN88" "GABRA1|GABRA2|GABRA3|GABRA4|GABRA5|GABRA6|GABRB1|GABRB2|GABRB3|GABRD|GABRE|GABRG1|GABRG2|GABRG3|GABRP|GABRQ" "GBRA1_HUMAN|GBRA2_HUMAN|GBRA3_HUMAN|GBRA4_HUMAN|GBRA5_HUMAN|GBRA6_HUMAN|GBRB1_HUMAN|GBRB2_HUMAN|GBRB3_HUMAN|GBRD_HUMAN|GBRE_HUMAN|GBRG1_HUMAN|GBRG2_HUMAN|GBRG3_HUMAN|GBRP_HUMAN|GBRT_HUMAN" 9.05000019073486 "Ki" "Displacement of [3H]flumazenil from bovine benzodiazepine receptor GABA-A channel of brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL407" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"flumazenil" 1195 "Gamma-aminobutyric acid receptor subunit alpha-1" "Ion channel" "P14867" "GABRA1" "GBRA1_HUMAN" 8.69999980926514 "Kd" "Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL407" "Tclin" "Homo sapiens" +"flumazenil" 1195 "Gamma-aminobutyric acid receptor subunit alpha-2" "Ion channel" "P47869" "GABRA2" "GBRA2_HUMAN" 8.23999977111816 "Ki" "Displacement of [3H]Ro-151788 from benzodiazepine binding site of GABAA alpha-2-beta-2-gamma-2 receptor expressed in HEK293T cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL407" "Tclin" "Homo sapiens" +"flumazenil" 1195 "Gamma-aminobutyric acid receptor subunit alpha-3" "Ion channel" "P34903" "GABRA3" "GBRA3_HUMAN" 8.09000015258789 "Ki" "Displacement of [3H]Ro-151788 from benzodiazepine binding site of GABAA alpha-3-beta-2-gamma-2 receptor expressed in HEK293T cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL407" "Tclin" "Homo sapiens" +"flumetasone pivalate" 1198 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200877" "AGONIST" "Tclin" "Homo sapiens" +"flunarizine" 1200 "Cannabinoid receptor 1" "GPCR" "P21554" "CNR1" "CNR1_HUMAN" 5.621420424 "Ki" "DRUGMATRIX: Cannabinoid CB1 radioligand binding (ligand: [3H] SR141716A)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"flunarizine" 1200 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.712870379 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"flunarizine" 1200 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.931814138 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"flunarizine" 1200 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.661543506 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"flunarizine" 1200 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 8 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"flunarizine" 1200 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.304255725 "Ki" "DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"flunarizine" 1200 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.576754126 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"flunarizine" 1200 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.876801925 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"flunarizine" 1200 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.611543547 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"flunarizine" 1200 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.935542011 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"flunarizine" 1200 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.159893906 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"flunarizine" 1200 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.454692884 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"flunarizine" 1200 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.063486258 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"flunarizine" 1200 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.48148606 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"flunarizine" 1200 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.744727495 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"flunarizine" 1200 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.150580586 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"flunarizine" 1200 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.504455662 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"flunarizine" 1200 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.102922997 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"flunarizine" 1200 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.099632871 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"flunarizine" 1200 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.494850022 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"flunarizine" 1200 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.333482019 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"flunarizine" 1200 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.531948209 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"flunarizine" 1200 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.356547324 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"flunarizine" 1200 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.217527376 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"flunarizine" 1200 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 7.420216403 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"flunarizine" 1200 "Sodium channel protein type 1 subunit alpha" "Ion channel" "P35498" "SCN1A" "SCN1A_HUMAN" 6.2 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"flunarizine" 1200 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 5.44 "Kd" "Inhibition of T-type Cav3.2 channel" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL30008" "http://www.ncbi.nlm.nih.gov/pubmed/19582593" "BLOCKER" "Tclin" "Homo sapiens" +"flunarizine" 1200 "Voltage-dependent T-type calcium channel subunit alpha-1I" "Ion channel" "Q9P0X4" "CACNA1I" "CAC1I_HUMAN" 6.08 "Kd" "Inhibition of T-type Cav3.3 channel" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL30008" "http://www.ncbi.nlm.nih.gov/pubmed/19582593" "BLOCKER" "Tclin" "Homo sapiens" +"flunarizine" 1200 "Voltage-dependent T-type calcium channel subunit alpha-1G" "Ion channel" "O43497" "CACNA1G" "CAC1G_HUMAN" 6.28 "Kd" "Inhibition of T-type Cav3.1 channel" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL30008" "http://www.ncbi.nlm.nih.gov/pubmed/19582593" "BLOCKER" "Tclin" "Homo sapiens" +"flunarizine" 1200 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.02 "IC50" "Binding affinity against opioid receptor kappa 1 by using [3H]U-69593 as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL30008" "Tclin" "Homo sapiens" +"flunarizine" 1200 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.44 "IC50" "Binding affinity against delta opiate receptor using [3H]DPDPE" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL30008" "Tclin" "Homo sapiens" +"flunarizine" 1200 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.62 "IC50" "Binding affinity against mu opioid receptor using [3H]DAMGO" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL30008" "Tclin" "Homo sapiens" +"flunarizine" 1200 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P04774|P04775|P08104" "Scn1a|Scn2a|Scn3a" "SCN1A_RAT|SCN2A_RAT|SCN3A_RAT" 7.28 "Ki" "Inhibition of [3H]- batrachotoxin binding to sodium channel in rat neocortical membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL30008" "Rattus norvegicus" +"flunarizine" 1200 "Voltage-dependent N-type calcium channel subunit alpha-1B" "Ion channel" "Q00975" "CACNA1B" "CAC1B_HUMAN" 5.78 "IC50" "Inhibition of calcium channel Cav2.2 in IMR32 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL30008" "Tclin" "Homo sapiens" +"flunarizine" 1200 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 6.64 "IC50" "Inhibition of [3H]raclopride binding to Dopamine receptor D2 of rat striatum membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL30008" "Rattus norvegicus" +"flunarizine" 1200 "Sodium channel protein type 2 subunit alpha" "Ion channel" "P04775" "Scn2a" "SCN2A_RAT" 6.31 "IC50" "Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL30008" "Rattus norvegicus" +"flunarizine" 1200 "CAAX prenyl protease 2" "Enzyme" "Q9Y256" "RCE1" "FACE2_HUMAN" 4.15000009536743 "AC50" "PUBCHEM_BIOASSAY: Human Ras-Converting Enzyme Inhibition Assay Measured in Biochemical System Using Plate Reader - 2034-04_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2618]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL30008" "Tchem" "Homo sapiens" +"flunarizine" 1200 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.37 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL30008" "Rattus norvegicus" +"flunarizine" 1200 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 5.96 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL30008" "Rattus norvegicus" +"flunarizine" 1200 "CAAX prenyl protease 2" "Unclassified" "Q03530" "RCE1" "RCE1_YEAST" 5.46 "AC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL30008" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"flunisolide" 1201 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 9.1 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1512" "AGONIST" "Tclin" "Homo sapiens" +"flunisolide" 1201 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 7.327902142 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"flunitrazepam" 1202 "GABA-A receptor; anion channel" "Ion channel" "O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14" "Gabra1|Gabra2|Gabra3|Gabra4|Gabra5|Gabra6|Gabrb1|Gabrb2|Gabrb3|Gabrd|Gabre|Gabrg1|Gabrg2|Gabrg3|Gabrp|Gabrq" "GBRA1_RAT|GBRA2_RAT|GBRA3_RAT|GBRA4_RAT|GBRA5_RAT|GBRA6_RAT|GBRB1_RAT|GBRB2_RAT|GBRB3_RAT|GBRD_RAT|GBRE_RAT|GBRG1_RAT|GBRG2_RAT|GBRG3_RAT|GBRP_RAT|Q91ZM7_RAT" 8.82 "IC50" "Displacement of [3H]diazepam from GABA-A Benzodiazepine receptor of rat forebrain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL13280" "Rattus norvegicus" +"flunitrazepam" 1202 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRB3|GABRG2" "GBRA1_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 8.47 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin" "Homo sapiens" +"flunitrazepam" 1202 "GABA-A receptor alpha-5/beta-3/gamma-2" "Ion channel" "P18507|P28472|P31644" "GABRA5|GABRB3|GABRG2" "GBRA5_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 8.84 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin" "Homo sapiens" +"flunitrazepam" 1202 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 8.699 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin" "Homo sapiens" +"flunitrazepam" 1202 "GABA-A receptor alpha-2/beta-3/gamma-2" "Ion channel" "P18507|P28472|P47869" "GABRA2|GABRB3|GABRG2" "GBRA2_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 8.699 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin" "Homo sapiens" +"flunitrazepam" 1202 "GABA A receptor alpha-3/beta-2/gamma-2" "Ion channel" "P18507|P34903|P47870" "GABRA3|GABRB2|GABRG2" "GBRA3_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 8.8239 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin" "Homo sapiens" +"flunitrazepam" 1202 "GABA-A receptor alpha-3/beta-3/gamma-2" "Ion channel" "P18507|P28472|P34903" "GABRA3|GABRB3|GABRG2" "GBRA3_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 8.3468 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin" "Homo sapiens" +"flunitrazepam" 1202 "GABA A receptor alpha-3/beta-2/gamma-3" "Ion channel" "P34903|P47870|Q99928" "GABRA3|GABRB2|GABRG3" "GBRA3_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" 7.5003 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin" "Homo sapiens" +"flunitrazepam" 1202 "GABA-A receptor alpha-1/beta-2/gamma-3" "Ion channel" "P14867|P47870|Q99928" "GABRA1|GABRB2|GABRG3" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" 7.4572 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin" "Homo sapiens" +"flunitrazepam" 1202 "GABA A receptor alpha-5/beta-2/gamma-2" "Ion channel" "P18507|P31644|P47870" "GABRA5|GABRB2|GABRG2" "GBRA5_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 9 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin" "Homo sapiens" +"flunitrazepam" 1202 "GABA A receptor alpha-5/beta-2/gamma-3" "Ion channel" "P31644|P47870|Q99928" "GABRA5|GABRB2|GABRG3" "GBRA5_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" 8.4202 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin" "Homo sapiens" +"flunitrazepam" 1202 "GABA A receptor alpha-5/beta-3/gamma-3" "Ion channel" "P28472|P31644|Q99928" "GABRA5|GABRB3|GABRG3" "GBRA5_HUMAN|GBRB3_HUMAN|GBRG3_HUMAN" 8.4202 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin" "Homo sapiens" +"flunitrazepam" 1202 "Gamma-aminobutyric acid receptor subunit alpha-3" "Ion channel" "P34903" "GABRA3" "GBRA3_HUMAN" 7.8 "Ki" "Assay using recombinant GABAA channels with subunit composition; α3β1γ2." "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4193" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4193" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"flunitrazepam" 1202 "Gamma-aminobutyric acid receptor subunit alpha-5" "Ion channel" "P31644" "GABRA5" "GBRA5_HUMAN" 8.26 "Ki" "Assay using recombinant GABAA channels with subunit composition; α5β1γ2." "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4193" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4193" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"flunitrazepam" 1202 "Gamma-aminobutyric acid receptor subunit alpha-1" "Ion channel" "P14867" "GABRA1" "GBRA1_HUMAN" 8.28 "Ki" "Assay using recombinant GABAA channels with subunit composition; α1β3γ2." "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4193" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4193" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"flunitrazepam" 1202 "Gamma-aminobutyric acid receptor subunit alpha-2" "Ion channel" "P47869" "GABRA2" "GBRA2_HUMAN" 8.28 "Ki" "Assay using recombinant GABAA channels with subunit composition; α2β1γ2." "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4193" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4193" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"fluocinolone acetonide" 1204 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.847711656 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL989" "AGONIST" "Tclin" "Homo sapiens" +"fluocinolone acetonide" 1204 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 8.474955193 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"fluocinonide" 1205 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.621602099 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL989" "AGONIST" "Tclin" "Homo sapiens" +"fluocinonide" 1205 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 8.537602002 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"fluorescein" 1207 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 6.042201225 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"fluorescein" 1207 "Solute carrier family 22 member 6" "Transporter" "Q8VC69" "Slc22a6" "S22A6_MOUSE" 5.53 "Ki" "Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL177756" "Mus musculus" +"fluorescein" 1207 "Protein arginine N-methyltransferase 1" "Enzyme" "Q99873" "PRMT1" "ANM1_HUMAN" 4.12 "IC50" "Inhibition of human recombinant GST-PRMT1 expressed in BL21 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL177756" "Tchem" "Homo sapiens" +"fluorescein" 1207 "Solute carrier family 22 member 20" "Transporter" "Q80UJ1" "Slc22a20" "S22AK_MOUSE" 4 "Ki" "Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL177756" "Mus musculus" +"fluorometholone" 1208 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.801342913 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200600" "AGONIST" "Tclin" "Homo sapiens" +"fluorometholone" 1208 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 6.067019178 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"fluorometholone" 1208 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 6.974694135 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"fluoxetine" 1209 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.56863641738892 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"fluoxetine" 1209 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.53760194778442 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"fluoxetine" 1209 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.56863641738892 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"fluoxetine" 1209 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=203" "ANTAGONIST" "Tclin" "Homo sapiens" +"fluoxetine" 1209 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.156144577 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"fluoxetine" 1209 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.15490196 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"fluoxetine" 1209 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 8.7 "Ki" "Displacement of [3H]citalopram from serotonin transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL41" "Rattus norvegicus" +"fluoxetine" 1209 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 6.8 "Ki" "Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL41" "Rattus norvegicus" +"fluoxetine" 1209 "Sodium-dependent dopamine transporter" "Transporter" "Q61327" "Slc6a3" "SC6A3_MOUSE" 7.97 "Ki" "Tested in vitro for serotonin(5-HT) neuronal uptake inhibition" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL41" "Mus musculus" +"fluoxetine" 1209 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 6.84 "Ki" "Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL41" "Rattus norvegicus" +"fluoxetine" 1209 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 6.22 "Ki" "Binding affinity against rat cortical alpha-1 adrenergic receptor labeled with [3H]prazosin radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL41" "Rattus norvegicus" +"fluoxetine" 1209 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 6.11 "Ki" "Displacement of [3H]WIN 35428 from dopamine transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL41" "Rattus norvegicus" +"fluoxetine" 1209 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 5.72 "Ki" "Evaluated for affinity at Alpha-2 adrenergic receptor of rat brain using [3H]rauwolscine as radioligand in radioligand binding assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL41" "Rattus norvegicus" +"fluoxetine" 1209 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 6.89 "IC50" "Inhibition of AChE" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL41" "Tclin" "Homo sapiens" +"fluoxetine" 1209 "Potassium voltage-gated channel subfamily C member 1" "Unclassified" "P25122" "Kcnc1" "KCNC1_RAT" 4.88 "IC50" "Inhibition of rat voltage-gated K channel 3.1 expressed in CHO cells by patch clamp assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL41" "Rattus norvegicus" +"fluoxetine" 1209 "Serotonin 1 (5-HT1) receptor" "GPCR" "P19327|P28564|P28565|P30940" "Htr1a|Htr1b|Htr1d|Htr1f" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT" 7.82 "IC50" "Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL41" "Rattus norvegicus" +"fluoxetine" 1209 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.07 "IC50" "The compound was tested for affinity towards sigma-3 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL41" "Tclin" "Homo sapiens" +"fluoxetine" 1209 "Sodium-dependent noradrenaline transporter" "Transporter" "O55192" "Slc6a2" "SC6A2_MOUSE" 7.07 "Ki" "Tested in vitro for norepinephrine (NE) neuronal uptake inhibition" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL41" "Mus musculus" +"fluoxetine" 1209 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 6.96 "Ki" "Displacement of [3H]mesulergine from 5-HT2C receptor in Sprague-Dawley rat choroid plexus membranes after 30 mins by liquid scintillation spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL41" "Rattus norvegicus" +"fluoxetine" 1209 "Histamine H3 receptor" "GPCR" "Q9Y5N1" "HRH3" "HRH3_HUMAN" 5.14 "Ki" "Binding affinity to human histamine H3 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL41" "Tclin" "Homo sapiens" +"fluoxetine" 1209 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 9.0915 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL41" "INHIBITOR" "Tclin" "Homo sapiens" +"fluoxetine" 1209 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.4437 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"fluoxetine" 1209 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"fluoxetine" 1209 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.0472 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"fluoxetine" 1209 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.9586 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"fluoxetine" 1209 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.699 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"fluoxetine" 1209 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.4 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"fluoxetine" 1209 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.61 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"fluoxetine" 1209 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.6198 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"fluoxetine" 1209 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.1549 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"fluoxetine" 1209 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.3565 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"fluoxetine" 1209 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 5.698970004 "Ki" "PDSP" "Tclin" "Homo sapiens" +"fluoxetine" 1209 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 8.2 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL41" "Tclin" "Homo sapiens" +"fluoxetine" 1209 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 6.5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=203" "ANTAGONIST" "Rattus norvegicus" +"fluoxetine" 1209 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 5.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=203" "ANTAGONIST" "Rattus norvegicus" +"fluoxetine" 1209 "Equilibrative nucleoside transporter 4" "Transporter" "Q7RTT9" "SLC29A4" "S29A4_HUMAN" 4.64 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=203" "INHIBITOR" "Tbio" "Homo sapiens" +"fluoxetine" 1209 "G protein-activated inward rectifier potassium channel 2" "Ion channel" "P48542" "Kcnj6" "KCNJ6_MOUSE" 4.8 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=203" "GATING INHIBITOR" "Mus musculus" +"fluoxymesterone" 1210 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 8.24 "Ki" "Displacement of [3H]DHT from human AR expressed in MDA-MB-453 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1445" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1445" "AGONIST" "Tclin" "Homo sapiens" +"flupentixol" 1211 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 9.065501549 "Ki" "PDSP" "Tclin" "Homo sapiens" +"flupentixol" 1211 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.795880017 "Ki" "PDSP" "Tchem" "Homo sapiens" +"flupentixol" 1211 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.96 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=948" "ANTAGONIST" "Tclin" "Homo sapiens" +"flupentixol" 1211 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.82 "Ki" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=948" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=948" "ANTAGONIST" "Tclin" "Homo sapiens" +"flupentixol" 1211 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 8.4 "Ki" "Note that this assay uses the cis form of the compound, whereas the approved drug is a racemic mixture of cis and trans molecules." "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=948" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=948" "ANTAGONIST" "Tclin" "Homo sapiens" +"flupentixol" 1211 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 8.1 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=948" "ANTAGONIST" "Tchem" "Homo sapiens" +"flupentixol" 1211 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"flupentixol" 1211 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.057991947 "Ki" "PDSP" "Tclin" "Homo sapiens" +"flupentixol" 1211 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.095392636 "Ki" "PDSP" "Tclin" "Homo sapiens" +"flupentixol" 1211 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.05 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42055" "Tchem" "Homo sapiens" +"flupentixol" 1211 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd2|Drd3|Drd4|Drd5" "DRD1_RAT|DRD2_RAT|DRD3_RAT|DRD4_RAT|DRD5_RAT" 8.52 "IC50" "Ability to displace [3H]haloperidol from rat striatal membranes, in order to measure its intrinsic affinity for the dopamine (DA) receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42055" "Rattus norvegicus" +"flupentixol" 1211 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 8.65 "IC50" "The compound was tested for affinity towards sigma-3 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42055" "Tclin" "Homo sapiens" +"flupentixol" 1211 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 9.52 "IC50" "In vivo binding affinity against dopamine (D1) receptor in rat caudate-putamen tissue using [3H]SCH-23390 as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42055" "Rattus norvegicus" +"flupentixol" 1211 "D(1A) dopamine receptor" "GPCR" "Q95136" "DRD1" "DRD1_BOVIN" 7.75 "Ki" "Binding affinity of compound towards Dopamine receptor D1 using [3H]SCH-23390 (0.5 nM) ligand in striatum bovine was determined" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42055" "Bos taurus" +"fluphenazine" 1212 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.074636333 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 8.066512712 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.330255545 "Ki" "DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.100726813 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.710857164 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.602059991 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.455931956 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.575118363 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.999132278 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.315154638 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 4.655293419 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.787546039 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.170953663 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"fluphenazine" 1212 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.018634491 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.004759798 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.071962794 "Ki" "DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 4.396779822 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.097453221 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 4.708409174 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.125228363 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"fluphenazine" 1212 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.721246399 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"fluphenazine" 1212 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 6.060980224 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"fluphenazine" 1212 "Melanocortin receptor 5" "GPCR" "P33032" "MC5R" "MC5R_HUMAN" 5.049197177 "Ki" "DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"fluphenazine" 1212 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 7.013228266 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"fluphenazine" 1212 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.3704 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.1905 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 8.0969 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.0443 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.269 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL726" "ANTAGONIST" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.8861 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.5355 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"fluphenazine" 1212 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.5391 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.7934 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 7.8873 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"fluphenazine" 1212 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.0872 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.4644 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"fluphenazine" 1212 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.6488 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 6.2676 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"fluphenazine" 1212 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 6.8386 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"fluphenazine" 1212 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 6.4763 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.4763 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.4473 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.2518 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.8376 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.503 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"fluphenazine" 1212 "Trypanothione reductase" "Enzyme" "P28593" "TPR" "TYTR_TRYCR" 4.67 "Ki" "Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase (linear competitive type)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL726" "Trypanosoma cruzi" +"fluphenazine" 1212 "Pleiotropic ABC efflux transporter of multiple drugs" "Transporter" "P33302" "PDR5" "PDR5_YEAST" 5.77 "IC50" "Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL726" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"fluphenazine" 1212 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.43 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL726" "Tclin|Tclin|Tclin" "Homo sapiens" +"fluphenazine" 1212 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 6.1 "Ki" "Displacement of [3H]mibolerone from rat androgen receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL726" "Rattus norvegicus" +"fluphenazine" 1212 "Adenylate cyclase" "Enzyme" "D4A3N4|P21932|P26769|P26770|P40146|Q03343|Q04400|Q8CFM9" "Adcy1|Adcy2|Adcy3|Adcy4|Adcy5|Adcy6|Adcy8" "ADCY2_RAT|ADCY3_RAT|ADCY4_RAT|ADCY5_RAT|ADCY6_RAT|ADCY8_RAT|D4A3N4_RAT|Q8CFM9_RAT" 7.1 "IC50" "The compound was tested for adenylate cyclase activity in rat corpus striatum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL726" "Rattus norvegicus" +"fluphenazine" 1212 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.78 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL726" "Rattus norvegicus" +"fluphenazine" 1212 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.62 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL726" "Rattus norvegicus" +"fluphenazine" 1212 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 7.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=204" "ANTAGONIST" "Rattus norvegicus" +"fluphenazine" 1212 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 8.1 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=204" "ANTAGONIST" "Rattus norvegicus" +"fluphenazine decanoate" 1213 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" "Mechanism of Action; CHEMBL217; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200854" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200854" "ANTAGONIST" "Tclin" "Homo sapiens" +"fluphenazine enanthate" 1214 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.19045352935791 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"fluphenazine enanthate" 1214 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.42021656036377 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"fluphenazine enanthate" 1214 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 6.83863210678101 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"fluphenazine enanthate" 1214 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.61092472076416 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"fluphenazine enanthate" 1214 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.88605642318726 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"fluphenazine enanthate" 1214 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.67954587936401 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"fluphenazine enanthate" 1214 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 8.09691047668457 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"fluphenazine enanthate" 1214 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.22548294067383 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"fluphenazine enanthate" 1214 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 6.26760625839233 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"fluphenazine enanthate" 1214 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.04777908325195 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"fluphenazine enanthate" 1214 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.97890901565552 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"fluphenazine enanthate" 1214 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.47625350952148 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"fluphenazine enanthate" 1214 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 6.47625350952148 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"fluphenazine enanthate" 1214 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.25181198120117 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"fluphenazine enanthate" 1214 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 7.88734531402588 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"fluphenazine enanthate" 1214 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.44369745254517 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"fluphenazine enanthate" 1214 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.67778062820435 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"fluphenazine enanthate" 1214 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.84133625030518 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"fluphenazine enanthate" 1214 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.53910493850708 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"fluphenazine enanthate" 1214 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.08724784851074 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"fluphenazine enanthate" 1214 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.26760578155518 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200951" "ANTAGONIST" "Tclin" "Homo sapiens" +"fluphenazine enanthate" 1214 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.9605860710144 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"fluphenazine enanthate" 1214 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.50300121307373 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"fluphenazine enanthate" 1214 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.44733190536499 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"fluphenazine enanthate" 1214 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.83654022216797 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"fluphenazine enanthate" 1214 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.2740068435669 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"fluphenazine enanthate" 1214 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.14490509033203 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"flupirtine" 1215 "Potassium voltage-gated channel subfamily KQT member 2" "Ion channel" "O43526" "KCNQ2" "KCNQ2_HUMAN" 5 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2598" "ACTIVATOR" "Tclin" "Homo sapiens" +"flupirtine" 1215 "Potassium voltage-gated channel subfamily KQT member 3" "Ion channel" "O43525" "KCNQ3" "KCNQ3_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"fluprednisolone" 1216 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action; CHEMBL2034; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200774" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200774" "AGONIST" "Tclin" "Homo sapiens" +"fludroxycortide" 1217 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.694648631 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201012" "AGONIST" "Tclin" "Homo sapiens" +"fludroxycortide" 1217 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 7.657577319 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"flurazepam" 1218 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.2218 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"flurazepam" 1218 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 8.1 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL968" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"flurbiprofen" 1219 "Aldo-keto reductase family 1 member C3" "Enzyme" "P42330" "AKR1C3" "AK1C3_HUMAN" 5.81 "IC50" "Inhibition of human recombinant N-terminal His6-tagged AKR1C3 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL563" "Tchem" "Homo sapiens" +"flurbiprofen" 1219 "Prostaglandin G/H synthase 2" "Enzyme" "Q05769" "Ptgs2" "PGH2_MOUSE" 6.3 "IC50" "Inhibition of mouse COX2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL563" "Mus musculus" +"flurbiprofen" 1219 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 5.93 "Ki" "Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP high binding affinity site expressed in Escherichia coli BL21 by competitive fluorescence displacement assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL563" "Rattus norvegicus" +"flurbiprofen" 1219 "Fatty acid-binding protein, intestinal" "Cytosolic other" "P12104" "FABP2" "FABPI_HUMAN" 4.59 "Ki" "Displacement of 1-anilinonaphthalene-8-sulphonic acid from I-FABP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL563" "Tchem" "Homo sapiens" +"flurbiprofen" 1219 "Aldo-keto reductase family 1 member C2" "Enzyme" "P52895" "AKR1C2" "AK1C2_HUMAN" 4.49 "IC50" "Inhibition of human recombinant N-terminal His6-tagged AKR1C2 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL563" "Tchem" "Homo sapiens" +"flurbiprofen" 1219 "Prostaglandin G/H synthase 1" "Enzyme" "Q63921" "Ptgs1" "PGH1_RAT" 6.77 "IC50" "Concentration required to inhibit cyclooxygenase-1 in rat blood" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL563" "Rattus norvegicus" +"flurbiprofen" 1219 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 6 "Ki" "Binding affinity of compound towards prostaglandin G/H synthase 1 was evaluated" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL563" "Ovis aries" +"flurbiprofen" 1219 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 8.74 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL563" "INHIBITOR" "Tclin" "Homo sapiens" +"flurbiprofen" 1219 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 8.39 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL563" "INHIBITOR" "Tclin" "Homo sapiens" +"fluspirilene" 1222 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.29242992401123 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"fluspirilene" 1222 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.408935546875 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"fluspirilene" 1222 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 5.95078182220459 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"fluspirilene" 1222 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.05551719665527 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"fluspirilene" 1222 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.20760822296143 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"fluspirilene" 1222 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.31875896453857 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"fluspirilene" 1222 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.43644714355469 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"fluspirilene" 1222 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.24412536621094 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"fluspirilene" 1222 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.22914791107178 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"fluspirilene" 1222 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=85" "ANTAGONIST" "Tclin" "Homo sapiens" +"fluspirilene" 1222 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=85" "ANTAGONIST" "Tclin" "Homo sapiens" +"fluspirilene" 1222 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=85" "ANTAGONIST" "Tclin" "Homo sapiens" +"fluspirilene" 1222 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=85" "ANTAGONIST" "Tclin" "Homo sapiens" +"fluspirilene" 1222 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 5.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=85" "ANTAGONIST" "Tchem" "Homo sapiens" +"fluspirilene" 1222 "Nociceptin receptor" "GPCR" "P41146" "OPRL1" "OPRX_HUMAN" 6.3 "Ki" "Displacement of [125I]nociceptin from human NOP expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46516" "Tchem" "Homo sapiens" +"fluspirilene" 1222 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.64 "IC50" "Inhibitory concentration against IKr potassium channel" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46516" "Tclin" "Homo sapiens" +"fluspirilene" 1222 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.82 "Ki" "Displacement of [3H]LSD from human cloned 5HT2B receptor expressed in CHO cells by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46516" "Tclin" "Homo sapiens" +"fluspirilene" 1222 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.93 "Ki" "Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells after 1.5 hrs by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46516" "Tchem" "Homo sapiens" +"fluspirilene" 1222 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 5.92000007629395 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46516" "Tclin" "Homo sapiens" +"flutamide" 1223 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.082441979 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"flutamide" 1223 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.049294465 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"flutamide" 1223 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 5.646276062 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808)" "DRUG MATRIX" "=" "Cavia porcellus" +"flutamide" 1223 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 5.89 "Ki" "Binding affinity against GST-hARLBD was measured in SC-3 cell by using [3H]testosterone as radioligand" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL806" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL806" "ANTAGONIST" "Tclin" "Homo sapiens" +"flutamide" 1223 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 5.3565 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"flutamide" 1223 "Bile salt export pump" "Unclassified" "O70127" "Abcb11" "ABCBB_RAT" 4.1 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL806" "Rattus norvegicus" +"fluticasone propionate" 1225 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 9.77 "EC50" "WOMBAT-PK" "=" "AGONIST" "Tclin" "Homo sapiens" +"fluticasone propionate" 1225 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 10.74 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1473" "AGONIST" "Tclin" "Homo sapiens" +"fluticasone propionate" 1225 "Cytosolic phospholipase A2" "Enzyme" "P47712" "PLA2G4A" "PA24A_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"fluticasone propionate" 1225 "Glucocorticoid receptor" "Transcription factor" "P06536" "Nr3c1" "GCR_RAT" 9.12 "EC50" "Transactivation activity at glucocorticoid receptor in rat H4II-E cells assessed as induction of tyrosine amino transferase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1473" "Rattus norvegicus" +"fluticasone propionate" 1225 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 6.83 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7080" "AGONIST" "Tclin" "Homo sapiens" +"flutrimazole" 1227 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" 5.21 "EC50" "Agonist activity at PXR (unknown origin) expressed in human HepG2 cells assessed as induction of CYP3A4 transactivation after 16 hrs by luciferase reporter gene assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2107430" "Tchem" "Homo sapiens" +"flutrimazole" 1227 "Bile acid receptor" "Nuclear hormone receptor" "Q96RI1" "NR1H4" "NR1H4_HUMAN" 4.86 "IC50" "Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2107430" "Tclin" "Homo sapiens" +"fluvastatin" 1229 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 6.397940009 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"fluvastatin" 1229 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P04035" "HMGCR" "HMDH_HUMAN" 7.55 "IC50" "Inhibitory concentration against 3-hydroxy-3-methylglutaryl-CoA reductase" "CHEMBL" "=" 1 "DRUG LABEL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2218894" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/020261s048,021192s021lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"fluvastatin" 1229 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P51639" "Hmgcr" "HMDH_RAT" 8.6 "IC50" "Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 0.0015-0.0040" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2218894" "Rattus norvegicus" +"fluvastatin" 1229 "Nuclear receptor subfamily 1 group I member 3" "Nuclear hormone receptor" "Q14994" "NR1I3" "NR1I3_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"fluvoxamine" 1230 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.44 "Ki" "Binding affinity to sigma 1 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL814" "Tclin" "Homo sapiens" +"fluvoxamine" 1230 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 8.84 "Ki" "In vitro competitive binding versus [N-methyl-3H]WIN-35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL814" "Tclin" "Homo sapiens" +"fluvoxamine" 1230 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q9R0C9" "Sigmar1" "SGMR1_RAT" 7.44 "Ki" "Displacement of [3H]-(+)pentazocine from rat brain sigma 1-type opioid receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL814" "Rattus norvegicus" +"fluvoxamine" 1230 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 8.51 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL814" "INHIBITOR" "Tclin" "Homo sapiens" +"fluvoxamine" 1230 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 5.07 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"fluvoxamine" 1230 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.951169913 "Ki" "PDSP" "Tclin" "Homo sapiens" +"fluvoxamine" 1230 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 8.19 "Ki" "Inhibition of [3]5-HT uptake into rat astrocyte cultures." "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7189" "INHIBITOR" "Rattus norvegicus" +"folic acid" 1231 "Thymidylate synthase" "Enzyme" "P04818" "TYMS" "TYSY_HUMAN" 4.4 "Ki" "Inhibitory constant of thymidylate synthase was determined in human AML cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1622" "Tclin" "Homo sapiens" +"folic acid" 1231 "Dihydrofolate reductase" "Unclassified" "B0BL08" "dfrA17" "B0BL08_ECOLX" 6.09 "Kd" "Thermodynamic Dissociation Constant for compound-Phe31-dihydrofolate reductase (DHFR) complex at pH 7" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1622" "Escherichia coli" +"leucovorin" 1232 "Thymidylate synthase" "Enzyme" "P04818" "TYMS" "TYSY_HUMAN" 4.0706 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"leucovorin" 1232 "Dihydrofolate reductase" "Enzyme" "P00374" "DHFR" "DYR_HUMAN" 5.63 "Ki" "Tested for the inhibition of [14C]-DDATHF influx in CCRF-CEM cells of human leukemic lymphoblast" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1679" "Tclin" "Homo sapiens" +"fomepizole" 1233 "Alcohol dehydrogenase" "Enzyme" "P00327|P00328" "ADH1E_HORSE|ADH1S_HORSE" 7.89 "Kd" "Inhibition of horse liver alcohol dehydrogenase using ethanol as substrate assessed as dissociation constant by spectrophotometric titration in presence of 1 mM NAD+" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1308" "Equus caballus" +"fomepizole" 1233 "Alcohol dehydrogenase" "Enzyme" "P00325|P00326|P07327" "ADH1A|ADH1B|ADH1C" "ADH1A_HUMAN|ADH1B_HUMAN|ADH1G_HUMAN" "Mechanism of Action; CHEMBL2363044; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1308" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1308" "INHIBITOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"fondaparinux" 1236 "Antithrombin-III" "Secreted" "P01008" "SERPINC1" "ANT3_HUMAN" 7.49 "Kd" "Catalyses the inactivation of coagulation proteases by activated antithrombin-III" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6819" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200644" "ACTIVATOR" "Tclin" "Homo sapiens" +"formestane" 1238 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 7.5686 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"formoterol" 1239 "Heat shock protein HSP 90-alpha" "Cytosolic other" "P07900" "HSP90AA1" "HS90A_HUMAN" 8.5229 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"formoterol" 1239 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 8.6 "Kd" "Binding affinity to beta-2 adrenergic receptor (unknown origin) at 1 to 10000 nM" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1256786" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1256786" "AGONIST" "Tclin" "Homo sapiens" +"formoterol" 1239 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.5 "Ki" "Displacement of [3H]CGP12177 from human beta-1 adrenoceptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1256786" "Tclin" "Homo sapiens" +"formoterol" 1239 "Beta-2 adrenergic receptor" "GPCR" "Q8K4Z4" "Adrb2" "ADRB2_CAVPO" 8.8 "EC50" "Agonist activity at beta2 receptor in guinea pig trachea assessed as fast onset of inhibition of electrically stimulated contraction" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1256786" "Cavia porcellus" +"formoterol" 1239 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 7.6 "EC50" "Agonist activity at human recombinant beta3 receptor assessed as cAMP accumulation by radioimmunoassay and cell based assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1256786" "Tclin" "Homo sapiens" +"formoterol" 1239 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.78999996185303 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1256786" "Tclin" "Homo sapiens" +"fosamprenavir" 1240 "Gag-Pol polyprotein" "Polyprotein" "P03367" "gag-pol" "POL_HV1BR" "WOMBAT-PK" "Human immunodeficiency virus type 1 group M subtype B (isolate BRU/LAI)" +"fosamprenavir" 1240 "Pol polyprotein" "Enzyme" "Q72874" "pol" "Q72874_9HIV1" "Mechanism of Action; CHEMBL243; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1664" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1664" "INHIBITOR" "Human immunodeficiency virus 1" +"foscarnet" 1241 "DNA polymerase catalytic subunit" "Enzyme" "P04293" "DPOL_HHV11" 4.13 "IC50" "Inhibition of HSV-1 DNA polymerase in HSV-1 C42 plaque reduction assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL666" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL666" "INHIBITOR" "Human herpesvirus 1 (strain 17)" +"foscarnet" 1241 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" 5.69 "IC50" "Inhibitory activity against HIV-1 reverse transcriptase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL666" "Human immunodeficiency virus 1" +"foscarnet" 1241 "DNA polymerase catalytic subunit" "Enzyme" "P08546" "UL54" "DPOL_HCMVA" 5.6 "IC50" "Inhibition of human cytomegalovirus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 degrees C" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL666" "Human cytomegalovirus (strain AD169)" +"foscarnet" 1241 "Reverse transcriptase" "Enzyme" "Q9WKE8" "reverse transcriptas" "Q9WKE8_9HIV1" 5.6 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL666" "Human immunodeficiency virus 1" +"fosfluconazole" 1242 "Lanosterol 14-alpha demethylase" "Enzyme" "P10613" "ERG11" "CP51_CANAL" "WOMBAT-PK" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"fosfomycin" 1243 "UDP-N-acetylglucosamine 1-carboxyvinyltransferase 1" "Enzyme" "Q836E5" "murA1" "MURA1_ENTFA" "WOMBAT-PK" "Enterococcus faecalis (strain ATCC 700802 / V583)" +"fosfomycin" 1243 "UDP-N-acetylglucosamine 1-carboxyvinyltransferase 2" "Enzyme" "Q831A8" "murA2" "MURA2_ENTFA" "WOMBAT-PK" "Enterococcus faecalis (strain ATCC 700802 / V583)" +"fosfomycin" 1243 "UDP-N-acetylglucosamine 1-carboxyvinyltransferase" "Enzyme" "P0A749" "murA" "MURA_ECOLI" 7 "IC50" "Inhibition of Escherichia coli MurA expressed in Escherichia coli BL21(lambdaDE3) using UNAG and PEP as substrate incubated for 10 mins prior to PEP addition measured after 60 mins by spectrophotometric analysis" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1757" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1757" "INHIBITOR" "Escherichia coli (strain K12)" +"fosfomycin" 1243 "UDP-N-acetylglucosamine 1-carboxyvinyltransferase" "Unclassified" "Q9HVW7" "murA" "MURA_PSEAE" 4.98 "IC50" "Inhibition of Pseudomonas aeruginosa PAO1293 MurA in presence of UNAG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1757" "Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)" +"fosinopril" 1245 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 9 "IC50" "Inhibitory activity against angiotensin I converting enzyme (ACE)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL581" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL581" "INHIBITOR" "Tclin" "Homo sapiens" +"fosinopril" 1245 "Angiotensin-converting enzyme" "Enzyme" "P12822" "ACE" "ACE_RABIT" 8.82 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL581" "Oryctolagus cuniculus" +"fosphenytoin" 1247 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00252" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL919" "BLOCKER" "Tclin" "Homo sapiens" +"frovatriptan" 1251 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.99 "Ki" "In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1279" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1279" "AGONIST" "Tclin" "Homo sapiens" +"frovatriptan" 1251 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 8.36 "Ki" "In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1279" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1279" "AGONIST" "Tclin" "Homo sapiens" +"frovatriptan" 1251 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.21 "Ki" "In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1A receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1279" "Tclin" "Homo sapiens" +"fulvestrant" 1255 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 8.74 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1358" "ANTAGONIST" "Tclin" "Homo sapiens" +"fulvestrant" 1255 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 9.62 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1358" "ANTAGONIST" "Tclin" "Homo sapiens" +"fulvestrant" 1255 "G-protein coupled estrogen receptor 1" "GPCR" "Q99527" "GPER1" "GPER1_HUMAN" 7 "EC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"fulvestrant" 1255 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" 5.71 "EC50" "Agonist activity at PXR (unknown origin) expressed in human HepG2 cells assessed as induction of CYP3A4 transactivation after 16 hrs by luciferase reporter gene assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1358" "Tchem" "Homo sapiens" +"fulvestrant" 1255 "Estrogen receptor" "Transcription factor" "P06211" "Esr1" "ESR1_RAT" 8.23 "IC50" "Displacement of [3H]estradiol from rat uterine cytosolic estrogen receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1358" "Rattus norvegicus" +"fulvestrant" 1255 "Bile acid receptor" "Nuclear hormone receptor" "Q96RI1" "NR1H4" "NR1H4_HUMAN" 6.1 "IC50" "Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1358" "Tclin" "Homo sapiens" +"fulvestrant" 1255 "Bifunctional epoxide hydrolase 2" "Enzyme" "P34913" "EPHX2" "HYES_HUMAN" 7.59 "Ki" "Competitive inhibition of human recombinant soluble epoxide hydrolase using [3H]-tDPPO as substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1358" "Tchem" "Homo sapiens" +"fulvestrant" 1255 "Steroid hormone receptor ERR1" "Nuclear hormone receptor" "P11474" "ESRRA" "ERR1_HUMAN" 8.7 "IC50" "Antagonist activity at ERalpha receptor in human MCF7 cells assessed as inhibition of cell growth after 6 days by crystal violet staining method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1358" "Tchem" "Homo sapiens" +"fulvestrant" 1255 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 9.68 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1358" "Tclin" "Homo sapiens" +"furaltadone" 1256 "Mitogen-activated protein kinase 9" "Kinase" "P45984" "MAPK9" "MK09_HUMAN" 4.87 "IC50" "Inhibition of human JNK2alpha2 using GST-c-jun (1 to 221) as substrate preincubated for 30 mins before [gamma-32P]-ATP addition measured after 10 mins by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1189513" "Tchem" "Homo sapiens" +"furosemide" 1258 "Solute carrier family 12 member 1" "Transporter" "Q13621" "SLC12A1" "S12A1_HUMAN" 6.2 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL35" "INHIBITOR" "Tclin" "Homo sapiens" +"furosemide" 1258 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 7.19 "Ki" "Inhibition of human recombinant full length CA2 by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL35" "Tclin" "Homo sapiens" +"furosemide" 1258 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 6.26 "Ki" "Inhibition of mouse recombinant full length CA13 by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL35" "Mus musculus" +"furosemide" 1258 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 6.58 "Ki" "Inhibition of human recombinant CA12 catalytic domain by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL35" "Tclin" "Homo sapiens" +"furosemide" 1258 "Holo-[acyl-carrieir-protein] synthase" "Unclassified" "P96618" "acpS" "ACPS_BACSU" 4.9 "IC50" "Inhibitory activity against Bacillus subtilis AcpS by HTRF assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL35" "Bacillus subtilis (strain 168)" +"furosemide" 1258 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 6.25 "Ki" "Inhibition of human recombinant full length CA4 by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL35" "Tclin" "Homo sapiens" +"furosemide" 1258 "Corticosteroid 11-beta-dehydrogenase isozyme 1" "Enzyme" "P28845" "HSD11B1" "DHI1_HUMAN" 5.42 "IC50" "Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in presence of NADPH" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL35" "Tclin" "Homo sapiens" +"furosemide" 1258 "G-protein coupled receptor 35" "GPCR" "Q9HC97" "GPR35" "GPR35_HUMAN" 5.49 "Ki" "Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL35" "Tchem" "Homo sapiens" +"furosemide" 1258 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 6.3 "Ki" "Inhibition of human recombinant full length CA5A by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL35" "Tclin" "Homo sapiens" +"furosemide" 1258 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 7.28 "Ki" "Inhibition of human recombinant full length CA14 by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL35" "Tclin" "Homo sapiens" +"furosemide" 1258 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 6.29 "Ki" "Inhibition of human recombinant full length CA7 by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL35" "Tclin" "Homo sapiens" +"furosemide" 1258 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 6.38 "Ki" "Inhibition of human recombinant CA9 catalytic domain by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL35" "Tclin" "Homo sapiens" +"furosemide" 1258 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 7.21 "Ki" "Inhibition of human recombinant full length CA1 by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL35" "Tclin" "Homo sapiens" +"furosemide" 1258 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 6.49 "Ki" "Inhibition of human recombinant full length CA5B by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL35" "Tclin" "Homo sapiens" +"furosemide" 1258 "Corticosteroid 11-beta-dehydrogenase isozyme 1" "Enzyme" "P50172" "Hsd11b1" "DHI1_MOUSE" 5.42 "IC50" "Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in presence of NADPH" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL35" "Mus musculus" +"furosemide" 1258 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 6.61 "Ki" "Inhibition of human recombinant full length CA6 by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL35" "Tclin" "Homo sapiens" +"furosemide" 1258 "Sodium/potassium-transporting ATPase subunit alpha-1" "Transporter" "P05023" "ATP1A1" "AT1A1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"furosemide" 1258 "Solute carrier family 12 member 2" "Transporter" "P55011" "SLC12A2" "S12A2_HUMAN" 5.13 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4839" "INHIBITOR" "Tclin" "Homo sapiens" +"fusidic acid" 1261 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 4.94000005722046 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL374975" "Tchem" "Homo sapiens" +"fusidic acid" 1261 "Bile salt export pump" "Unclassified" "O70127" "Abcb11" "ABCBB_RAT" 4.76 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL374975" "Rattus norvegicus" +"aminobutyric acid" 1262 "Gamma-aminobutyric acid receptor subunit rho-1" "Ion channel" "P24046" "GABRR1" "GBRR1_HUMAN" 6.57000017166138 "EC50" "Agonist activity at human GABAA rho1 receptor expressed in TSA201 cells after 1 min by FLIPR assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL96" "Tchem" "Homo sapiens" +"aminobutyric acid" 1262 "Sodium- and chloride-dependent GABA transporter 1" "Transporter" "P30531" "SLC6A1" "SC6A1_HUMAN" 5.30000019073486 "IC50" "Inhibitory activity against human GABA transporter-1 (hGAT1)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL96" "Tclin" "Homo sapiens" +"aminobutyric acid" 1262 "Sodium- and chloride-dependent GABA transporter 3" "Transporter" "P48066" "SLC6A11" "S6A11_HUMAN" 5.15000009536743 "IC50" "Inhibitory activity against human sodium and chloride dependent GABA transporter 3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL96" "Tbio" "Homo sapiens" +"aminobutyric acid" 1262 "Sodium- and chloride-dependent betaine transporter" "Transporter" "P48065" "SLC6A12" "S6A12_HUMAN" 4.44000005722046 "IC50" "Inhibition of human GABA transporter (hBGT-1) activity." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL96" "Tchem" "Homo sapiens" +"aminobutyric acid" 1262 "Gamma-aminobutyric acid receptor subunit gamma-1" "Ion channel" "P23574" "Gabrg1" "GBRG1_RAT" 7.48 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL96" "Rattus norvegicus" +"aminobutyric acid" 1262 "Gamma-aminobutyric acid receptor subunit alpha-2" "Ion channel" "P23576" "Gabra2" "GBRA2_RAT" 7.66 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL96" "Rattus norvegicus" +"aminobutyric acid" 1262 "Sodium- and chloride-dependent GABA transporter 1" "Transporter" "P23978" "Slc6a1" "SC6A1_RAT" 5.59 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL96" "Rattus norvegicus" +"aminobutyric acid" 1262 "Sodium- and chloride-dependent GABA transporter 2" "Unclassified" "P31646" "Slc6a13" "S6A13_RAT" 5.3 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL96" "Rattus norvegicus" +"aminobutyric acid" 1262 "Sodium- and chloride-dependent GABA transporter 1" "Transporter" "P31648" "Slc6a1" "SC6A1_MOUSE" 5.14 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL96" "Mus musculus" +"aminobutyric acid" 1262 "Sodium- and chloride-dependent GABA transporter 2" "Unclassified" "P31649" "Slc6a13" "S6A13_MOUSE" 4.56 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL96" "Mus musculus" +"aminobutyric acid" 1262 "Sodium- and chloride-dependent GABA transporter 3" "Unclassified" "P31650" "Slc6a11" "S6A11_MOUSE" 5.09 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL96" "Mus musculus" +"aminobutyric acid" 1262 "Gamma-aminobutyric acid receptor subunit alpha-1" "Ion channel" "P62813" "Gabra1" "GBRA1_RAT" 5 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL96" "Rattus norvegicus" +"gabapentin" 1264 "Voltage-dependent calcium channel subunit alpha-2/delta-1" "Ion channel" "P54289" "CACNA2D1" "CA2D1_HUMAN" 7.26 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL940" "MODULATOR" "Tclin" "Homo sapiens" +"gabapentin" 1264 "Uncharacterized protein; Voltage-dependent calcium channel alpha-2 delta subunit" "Ion channel" "O77773" "CACNA2D1" "O77773_PIG" 7.15 "IC50" "Displacement of [3H]gabapentin from alpha-2delta calcium channel in pig brain membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL940" "Sus scrofa" +"gabapentin" 1264 "Voltage-dependent calcium channel subunit alpha-2/delta-1" "Ion channel" "O08532" "Cacna2d1" "CA2D1_MOUSE" 6.92 "Ki" "Displacement of [3H]L-leucine from alpha-2delta containing calcium channel in murine brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL940" "Mus musculus" +"gabapentin" 1264 "Large neutral amino acids transporter small subunit 1" "Transporter" "Q01650" "SLC7A5" "LAT1_HUMAN" 4.5229 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"gabapentin" 1264 "Glutamate receptor ionotropic, NMDA 3A" "Ion channel" "Q8TCU5" "GRIN3A" "NMD3A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"gabapentin" 1264 "Gamma-aminobutyric acid type B receptor subunit 2" "GPCR" "O75899" "GABBR2" "GABR2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"gabapentin" 1264 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"gabapentin" 1264 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"gabapentin" 1264 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"gabapentin" 1264 "Voltage-dependent calcium channel subunit alpha-2/delta-2" "Ion channel" "Q9NY47" "CACNA2D2" "CA2D2_HUMAN" 6.92811822891235 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/21651903" "http://www.ncbi.nlm.nih.gov/pubmed/21651903" "MODULATOR" "Tclin" "Homo sapiens" +"galantamine" 1272 "Acetylcholinesterase" "Enzyme" "P23795" "ACHE" "ACES_BOVIN" 5.06 "IC50" "Inhibition of bovine AChE by Elman's method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL659" "Bos taurus" +"galantamine" 1272 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 7.21 "Ki" "Inhibition of human recombinant AChE using acetylthiocholine as substrate" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL659" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL659" "INHIBITOR" "Tclin" "Homo sapiens" +"galantamine" 1272 "Acetylcholinesterase" "Enzyme" "P04058" "ache" "ACES_TORCA" 6.44 "IC50" "Inhibitory activity against acetylcholinesterase (AChE) from Torpedo californica (Reversible type of inhibition)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL659" "Torpedo californica" +"galantamine" 1272 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 6.37 "Ki" "Competitive inhibition of Electrophorus electricus AChE by Lineweaver-Burke plot analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL659" "Electrophorus electricus" +"galantamine" 1272 "Acetylcholinesterase" "Enzyme" "P37136" "Ache" "ACES_RAT" 6.27 "IC50" "In vitro inhibitory effect on rat Acetylcholinesterase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL659" "Rattus norvegicus" +"galantamine" 1272 "Acetylcholinesterase" "Enzyme" "P21836" "Ache" "ACES_MOUSE" 5.6 "IC50" "Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate incubated 10 mins prior to substrate addition measured after 10 mins by Ellman's method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL659" "Mus musculus" +"galantamine" 1272 "Butyrylcholinesterase; Protein Bche" "Enzyme" "Q9JKC1" "Bche" "Q9JKC1_RAT" 5.23 "IC50" "Inhibition of BChE from rat serum by Ellmans method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL659" "Rattus norvegicus" +"galantamine" 1272 "Cholinesterase" "Enzyme" "P06276" "BCHE" "CHLE_HUMAN" 6.72 "Ki" "Inhibition of human recombinant BChE using acetylthiocholine as substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL659" "Tclin" "Homo sapiens" +"galantamine" 1272 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 5.03 "Ki" "Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate after 20 mins measured for 1 min interval for 30 mins by Ellman's method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL659" "Equus caballus" +"galantamine" 1272 "Butyrylcholinesterase" "Enzyme" "Q9N1N9" "BCHE" "Q9N1N9_HORSE" 5.1 "Ki" "Inhibitory activity against BuChE from horse serum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL659" "Equus caballus" +"gallamine" 1273 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.148130399 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/18305010" "NEGATIVE ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"gallamine" 1273 "Muscarinic acetylcholine receptor M2" "GPCR" "P06199" "CHRM2" "ACM2_PIG" 6.89 "EC50" "Inhibition of [3H]NMS dissociation from porcine muscarinic M2 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL360055" "Sus scrofa" +"gallamine" 1273 "Acetylcholinesterase" "Enzyme" "P04058" "ache" "ACES_TORCA" 4.82 "Ki" "Inhibition of Torpedo californica AChE" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL360055" "Torpedo californica" +"gallamine" 1273 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.07 "Ki" "Competitive inhibition of EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells after 4 hrs by FRET assay in presence of para-LRB-AC42" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL360055" "Tclin" "Homo sapiens" +"gallamine" 1273 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 4.43 "Ki" "Inhibition of human AChE" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL360055" "Tclin" "Homo sapiens" +"gallamine" 1273 "Acetylcholine receptor subunit alpha" "Ion channel" "P02708" "CHRNA1" "ACHA_HUMAN" 6 "IC50" "IUPHAR" "~" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=356" "BLOCKER" "Tclin" "Homo sapiens" +"gallamine" 1273 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 5.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=356" "ALLOSTERIC MODULATOR" "Rattus norvegicus" +"gallopamil" 1275 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.44 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL51149" "Tclin|Tclin|Tclin" "Homo sapiens" +"gamolenic acid" 1276 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 5.66 "IC50" "Displacement of [3H]BRL49653 from Homo sapiens (human) PPARgamma receptor by scintillation proximity assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL464982" "Tclin" "Homo sapiens" +"gamolenic acid" 1276 "Peroxisome proliferator-activated receptor delta" "Nuclear hormone receptor" "Q03181" "PPARD" "PPARD_HUMAN" 6.12 "IC50" "Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scintillation proximity assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL464982" "Tchem" "Homo sapiens" +"gamolenic acid" 1276 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 6.57 "IC50" "Inhibition of PPAR-alpha (unknown origin) by SPA assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL464982" "Tclin" "Homo sapiens" +"gamolenic acid" 1276 "Tissue factor" "Membrane receptor" "P13726" "F3" "TF_HUMAN" 4.52 "IC50" "Inhibition of amidolytic activity of human tissue factor/human factor 7a" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL464982" "Tchem" "Homo sapiens" +"gamolenic acid" 1276 "3-oxo-5-alpha-steroid 4-dehydrogenase 2" "Enzyme" "P31213" "SRD5A2" "S5A2_HUMAN" 4.85 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL464982" "Tclin" "Homo sapiens" +"ganciclovir" 1277 "DNA polymerase catalytic subunit" "Enzyme" "P04293" "DPOL_HHV11" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL182" "INHIBITOR" "Human herpesvirus 1 (strain 17)" +"ganciclovir" 1277 "Thymidine kinase" "Kinase" "Q9QNF7" "TK" "KITH_HHV1" "WOMBAT-PK" "Human herpesvirus 1" +"ganciclovir" 1277 "Purine nucleoside phosphorylase" "Unclassified" "P9WP01" "punA" "PUNA_MYCTU" 4.8 "Kd" "Binding affinity to Mycobacterium tuberculosis purine nucleoside phosphorylase by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL182" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"ganciclovir" 1277 "Capsid scaffolding protein" "Enzyme" "P10210" "UL26" "SCAF_HHV11" 6.07 "EC50" "WOMBAT-PK" "=" "Human herpesvirus 1 (strain 17)" +"ganciclovir" 1277 "Metabotropic glutamate receptor 5" "GPCR" "P41594" "GRM5" "GRM5_HUMAN" 5.41 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"ganciclovir" 1277 "Metabotropic glutamate receptor 1" "GPCR" "Q13255" "GRM1" "GRM1_HUMAN" 6.05 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"ganirelix" 1279 "Gonadotropin-releasing hormone receptor" "GPCR" "P30968" "GNRHR" "GNRHR_HUMAN" "Mechanism of Action; CHEMBL1855; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1251" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1251" "ANTAGONIST" "Tclin" "Homo sapiens" +"gatifloxacin" 1280 "DNA gyrase subunit A" "Enzyme" "P9WG47" "gyrA" "GYRA_MYCTU" 5.03 "IC50" "Inhibition of DNA supercoiling activity of wild type Mycobacterium tuberculosis DNA gyrase A" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL31" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"gatifloxacin" 1280 "DNA gyrase" "Enzyme" "P0AES4|P0AES6" "gyrA|gyrB" "GYRA_ECOLI|GYRB_ECOLI" 6.3 "IC50" "Inhibitory activity against wild type Escherichia coli gyrase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL31" "Escherichia coli (strain K12)" +"gatifloxacin" 1280 "DNA topoisomerase 4 subunit A" "Enzyme" "P0C1U9" "parC" "PARC_STAAU" 5.92 "IC50" "Inhibitory activity against wild type Staphylococcus aureus topoisomerase 4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL31" "Staphylococcus aureus" +"gatifloxacin" 1280 "DNA gyrase" "Enzyme" "P0A4L9|P72524" "gyrA|gyrB" "GYRA_STRPN|GYRB_STRPN" "Mechanism of Action; CHEMBL2311225; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL31" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL31" "INHIBITOR" "Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)" +"gatifloxacin" 1280 "DNA topoisomerase 4" "Enzyme" "P72525|Q59961" "parC|parE" "PARC_STRPN|PARE_STRPN" "Mechanism of Action; CHEMBL2363033; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL31" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL31" "INHIBITOR" "Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)" +"gefitinib" 1282 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 5.420216403 "Kd" "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/22037378" "Tclin" "Homo sapiens" +"gefitinib" 1282 "Mitogen-activated protein kinase 10" "Kinase" "P53779" "MAPK10" "MK10_HUMAN" 5.64 "Kd" "Average Binding Constant for JNK3; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 6.64 "Kd" "Binding constant for ABL1(Q252H)-phosphorylated kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tclin" "Homo sapiens" +"gefitinib" 1282 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 6 "Kd" "Binding constant for FLT3(D835Y) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tclin" "Homo sapiens" +"gefitinib" 1282 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 9.4 "Ki" "Inhibition of EGFR" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "INHIBITOR" "Tclin" "Homo sapiens" +"gefitinib" 1282 "Cruzipain" "Enzyme" "P25779" "CYSP_TRYCR" 4.06 "IC50" "Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in absence of Triton X-100" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Trypanosoma cruzi" +"gefitinib" 1282 "Tubulin alpha-1A chain" "Structural" "P68370" "Tuba1a" "TBA1A_RAT" 6.39 "Kd" "Binding constant for ERBB4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Rattus norvegicus" +"gefitinib" 1282 "Mitogen-activated protein kinase 9" "Kinase" "P45984" "MAPK9" "MK09_HUMAN" 5.85 "Kd" "Average Binding Constant for JNK2; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 5.72 "IC50" "Inhibition of recombinant VEGFR2 by radioactive phosphotransfer assay in presence of 10 uM ATP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tclin" "Homo sapiens" +"gefitinib" 1282 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 5.46 "Kd" "Binding constant for MET(Y1235D) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tclin" "Homo sapiens" +"gefitinib" 1282 "Casein kinase I isoform epsilon" "Kinase" "P49674" "CSNK1E" "KC1E_HUMAN" 6.37 "Kd" "Binding constant for full-length CSNK1E" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Receptor-interacting serine/threonine-protein kinase 2" "Kinase" "O43353" "RIPK2" "RIPK2_HUMAN" 6.28 "Kd" "Binding constant for RIPK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Ephrin type-B receptor 4" "Kinase" "P54760" "EPHB4" "EPHB4_HUMAN" 5.6 "Kd" "Binding constant for EPHB4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Cyclin-G-associated kinase" "Kinase" "O14976" "GAK" "GAK_HUMAN" 8.15 "Kd" "Average Binding Constant for GAK; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Serine/threonine-protein kinase SBK1" "Kinase" "Q52WX2" "SBK1" "SBK1_HUMAN" 6.25 "Kd" "Binding constant for SBK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tdark" "Homo sapiens" +"gefitinib" 1282 "Dual specificity mitogen-activated protein kinase kinase 5" "Kinase" "Q13163" "MAP2K5" "MP2K5_HUMAN" 6.22 "Kd" "Binding constant for MEK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Casein kinase I isoform delta" "Kinase" "P48730" "CSNK1D" "KC1D_HUMAN" 5.49 "Kd" "Binding constant for CSNK1D kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Serine/threonine-protein kinase pim-3" "Kinase" "Q86V86" "PIM3" "PIM3_HUMAN" 5.24 "Kd" "Binding constant for PIM3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Serine/threonine-protein kinase D1" "Kinase" "Q15139" "PRKD1" "KPCD1_HUMAN" 5.46 "Kd" "Binding constant for PRKD1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Ephrin type-A receptor 1" "Kinase" "P21709" "EPHA1" "EPHA1_HUMAN" 5.4 "Kd" "Binding constant for EPHA1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "MAP kinase-interacting serine/threonine-protein kinase 1" "Kinase" "Q9BUB5" "MKNK1" "MKNK1_HUMAN" 6.54 "Kd" "Binding constant for full-length MKNK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Tyrosine-protein kinase Fgr" "Kinase" "P09769" "FGR" "FGR_HUMAN" 5.59 "Kd" "Binding constant for FGR kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Tyrosine-protein kinase FRK" "Kinase" "P42685" "FRK" "FRK_HUMAN" 5.7 "Kd" "Binding constant for FRK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Ephrin type-A receptor 8" "Kinase" "P29322" "EPHA8" "EPHA8_HUMAN" 5.74 "Kd" "Binding constant for EPHA8 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Ephrin type-A receptor 3" "Kinase" "P29320" "EPHA3" "EPHA3_HUMAN" 5.26 "Kd" "Binding constant for EPHA3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 6.33 "Kd" "Binding constant for LOK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Serine/threonine-protein kinase 17B" "Kinase" "O94768" "STK17B" "ST17B_HUMAN" 5.42 "Kd" "Binding constant for full-length DRAK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.96 "Kd" "Average Binding Constant for ERBB2; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tclin" "Homo sapiens" +"gefitinib" 1282 "Tyrosine-protein kinase HCK" "Kinase" "P08631" "HCK" "HCK_HUMAN" 5.36 "Kd" "Binding constant for HCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tclin" "Homo sapiens" +"gefitinib" 1282 "Phosphorylase b kinase gamma catalytic chain, liver/testis isoform" "Kinase" "P15735" "PHKG2" "PHKG2_HUMAN" 5.57 "Kd" "Binding constant for PHKG2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Citron Rho-interacting kinase" "Kinase" "O14578" "CIT" "CTRO_HUMAN" 5.89 "Kd" "Binding constant for CIT kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tbio" "Homo sapiens" +"gefitinib" 1282 "Homeodomain-interacting protein kinase 4" "Kinase" "Q8NE63" "HIPK4" "HIPK4_HUMAN" 6.51 "Kd" "Binding constant for HIPK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Serine/threonine-protein kinase ULK3" "Kinase" "Q3U3Q1" "Ulk3" "ULK3_MOUSE" 5.85 "Kd" "Average Binding Constant for ULK3 m; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Mus musculus" +"gefitinib" 1282 "Misshapen-like kinase 1" "Kinase" "Q8N4C8" "MINK1" "MINK1_HUMAN" 5.74 "Kd" "Binding constant for MINK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma" "Kinase" "Q8TBX8" "PIP4K2C" "PI42C_HUMAN" 5.12 "Kd" "Binding constant for PIP5K2C kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tbio" "Homo sapiens" +"gefitinib" 1282 "Interleukin-1 receptor-associated kinase 4" "Kinase" "Q9NWZ3" "IRAK4" "IRAK4_HUMAN" 6.27 "Kd" "Binding constant for IRAK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Serine/threonine-protein kinase 36" "Kinase" "Q9NRP7" "STK36" "STK36_HUMAN" 5.24 "Kd" "Binding constant for STK36 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tbio" "Homo sapiens" +"gefitinib" 1282 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 5.74 "Kd" "Binding constant for KIT(A829P) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tclin" "Homo sapiens" +"gefitinib" 1282 "Receptor tyrosine-protein kinase erbB-4" "Kinase" "Q15303" "ERBB4" "ERBB4_HUMAN" 6.39 "Kd" "Binding constant for ERBB4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tclin" "Homo sapiens" +"gefitinib" 1282 "Serine/threonine-protein kinase 17A" "Kinase" "Q9UEE5" "STK17A" "ST17A_HUMAN" 5.7 "Kd" "Binding constant for DRAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Ephrin type-A receptor 6" "Kinase" "Q9UF33" "EPHA6" "EPHA6_HUMAN" 6.23 "Kd" "Binding constant for EPHA6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "TRAF2 and NCK-interacting protein kinase" "Kinase" "Q9UKE5" "TNIK" "TNIK_HUMAN" 5.16 "Kd" "Binding constant for TNIK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Ribosomal protein S6 kinase alpha-4" "Kinase" "O75676" "RPS6KA4" "KS6A4_HUMAN" 5.92 "Kd" "Binding constant for RPS6KA4(Kin.Dom.2-C-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "STE20-like serine/threonine-protein kinase" "Kinase" "Q9H2G2" "SLK" "SLK_HUMAN" 6.04 "Kd" "Binding constant for SLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "MAP kinase-interacting serine/threonine-protein kinase 2" "Kinase" "Q9HBH9" "MKNK2" "MKNK2_HUMAN" 6.44 "Kd" "Average Binding Constant for MKNK2; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Interleukin-1 receptor-associated kinase 1" "Kinase" "P51617" "IRAK1" "IRAK1_HUMAN" 7.16 "Kd" "Binding constant for IRAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 6 "Kd" "Binding constant for LYN kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tclin" "Homo sapiens" +"gefitinib" 1282 "Ephrin type-A receptor 5" "Kinase" "P54756" "EPHA5" "EPHA5_HUMAN" 5.82 "Kd" "Binding constant for EPHA5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform" "Kinase" "Q16816" "PHKG1" "PHKG1_HUMAN" 5.43 "Kd" "Binding constant for full-length PHKG1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Ephrin type-B receptor 1" "Kinase" "P54762" "EPHB1" "EPHB1_HUMAN" 5.89 "Kd" "Binding constant for EPHB1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Interleukin-1 receptor-associated kinase 3" "Kinase" "Q9Y616" "IRAK3" "IRAK3_HUMAN" 5.82 "Kd" "Binding constant for IRAK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Mitogen-activated protein kinase kinase kinase 2" "Kinase" "Q9Y2U5" "MAP3K2" "M3K2_HUMAN" 5.48 "Kd" "Binding constant for MAP3K2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Abelson tyrosine-protein kinase 2" "Kinase" "P42684" "ABL2" "ABL2_HUMAN" 5.8 "Kd" "Binding constant for ABL2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Tyrosine-protein kinase Blk" "Kinase" "P51451" "BLK" "BLK_HUMAN" 5.92 "Kd" "Binding constant for BLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Receptor tyrosine-protein kinase erbB-3" "Kinase" "P21860" "ERBB3" "ERBB3_HUMAN" 6.1 "Kd" "Binding constant for ERBB3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Ephrin type-B receptor 6" "Kinase" "O15197" "EPHB6" "EPHB6_HUMAN" 5.49 "Kd" "Binding constant for EPHB6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Serine/threonine-protein kinase SIK2" "Kinase" "Q9H0K1" "SIK2" "SIK2_HUMAN" 5.68 "Kd" "Binding constant for full-length SNF1LK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Cyclin-dependent kinase 7" "Kinase" "P50613" "CDK7" "CDK7_HUMAN" 6.21 "Kd" "Binding constant for CDK7 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Mitogen-activated protein kinase 4" "Kinase" "P31152" "MAPK4" "MK04_HUMAN" 5.51 "Kd" "Binding constant for ERK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tbio" "Homo sapiens" +"gefitinib" 1282 "Mitogen-activated protein kinase 6" "Kinase" "Q16659" "MAPK6" "MK06_HUMAN" 5.8 "Kd" "Binding constant for ERK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tbio" "Homo sapiens" +"gefitinib" 1282 "Death-associated protein kinase 3" "Kinase" "O43293" "DAPK3" "DAPK3_HUMAN" 5.24 "Kd" "Binding constant for DAPK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Serine/threonine-protein kinase DCLK3" "Kinase" "Q9C098" "DCLK3" "DCLK3_HUMAN" 5.54 "Kd" "Binding constant for DCAMKL3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 5.77 "IC50" "Inhibition of recombinant Ret by radioactive phosphotransfer assay in presence of 10 uM ATP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tclin" "Homo sapiens" +"gefitinib" 1282 "Myotonin-protein kinase" "Kinase" "Q09013" "DMPK" "DMPK_HUMAN" 5.16 "Kd" "Binding constant for DMPK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 6.2 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tclin" "Homo sapiens" +"gefitinib" 1282 "Myosin light chain kinase 2, skeletal/cardiac muscle" "Kinase" "Q9H1R3" "MYLK2" "MYLK2_HUMAN" 5.72 "Kd" "Binding constant for MYLK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tbio" "Homo sapiens" +"gefitinib" 1282 "Leukocyte tyrosine kinase receptor" "Kinase" "P29376" "LTK" "LTK_HUMAN" 5.26 "Kd" "Binding constant for LTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tclin" "Homo sapiens" +"gefitinib" 1282 "Mitogen-activated protein kinase kinase kinase 19" "Kinase" "Q56UN5" "MAP3K19" "M3K19_HUMAN" 6.62 "Kd" "Binding constant for YSK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Tyrosine-protein kinase receptor UFO" "Kinase" "P30530" "AXL" "UFO_HUMAN" 5.74 "Kd" "Binding constant for AXL kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "NUAK family SNF1-like kinase 2" "Kinase" "Q9H093" "NUAK2" "NUAK2_HUMAN" 5.34 "Kd" "Binding constant for SNARK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" 5.96 "IC50" "Inhibition of BCRP expressed in MCF7 MX cells by Hoechst 33342 staining" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Tyrosine-protein kinase TXK" "Kinase" "P42681" "TXK" "TXK_HUMAN" 5.22 "Kd" "Binding constant for TXK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Mitogen-activated protein kinase kinase kinase 3" "Kinase" "Q99759" "MAP3K3" "M3K3_HUMAN" 5.68 "Kd" "Binding constant for MAP3K3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Serine/threonine-protein kinase Chk2" "Kinase" "O96017" "CHEK2" "CHK2_HUMAN" 6.1 "Kd" "Binding constant for CHEK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gefitinib" 1282 "Serine/threonine-protein kinase NLK" "Kinase" "Q9UBE8" "NLK" "NLK_HUMAN" 5.38 "Kd" "Binding constant for NLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "Tchem" "Homo sapiens" +"gemcitabine" 1283 "UMP-CMP kinase" "Kinase" "P30085" "CMPK1" "KCY_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"gemcitabine" 1283 "Thymidylate synthase" "Enzyme" "P04818" "TYMS" "TYSY_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"gemcitabine" 1283 "DNA polymerase (alpha/delta/epsilon)" "Enzyme" "P09884|P28340|Q07864" "POLA1|POLD1|POLE" "DPOD1_HUMAN|DPOE1_HUMAN|DPOLA_HUMAN" "Mechanism of Action; CHEMBL2363042; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL888" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL888" "INHIBITOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"gemcitabine" 1283 "Ribonucleoside-diphosphate reductase subunit M2" "Enzyme" "P31350" "RRM2" "RIR2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL888" "INHIBITOR" "Tclin" "Homo sapiens" +"gemcitabine" 1283 "Ribonucleoside-diphosphate reductase large subunit" "Enzyme" "P23921" "RRM1" "RIR1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL888" "INHIBITOR" "Tclin" "Homo sapiens" +"gemcitabine" 1283 "Deoxycytidine kinase" "Kinase" "P27707" "DCK" "DCK_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"gemfibrozil" 1285 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 5.73 "Ki" "Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP high binding affinity site expressed in Escherichia coli BL21 by competitive fluorescence displacement assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL457" "Rattus norvegicus" +"gemfibrozil" 1285 "Cytochrome P450 2C8" "Enzyme" "P10632" "CYP2C8" "CP2C8_HUMAN" 5.74 "Ki" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"gemfibrozil" 1285 "Lipoprotein lipase" "Enzyme" "P06858" "LPL" "LIPL_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"gemfibrozil" 1285 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 4.23 "EC50" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3439" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL457" "AGONIST" "Tclin" "Homo sapiens" +"gemfibrozil" 1285 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 4.5229 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"gemfibrozil" 1285 "Transthyretin" "Secreted" "P02766" "TTR" "TTHY_HUMAN" 7 "Kd" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL457" "Tclin" "Homo sapiens" +"gemifloxacin" 1286 "DNA gyrase subunit B" "Enzyme" "P0AES7" "gyrB" "GYRB_ECO57" "WOMBAT-PK" "Escherichia coli O157:H7" +"gemifloxacin" 1286 "DNA topoisomerase 4 subunit A" "Enzyme" "P72525" "parC" "PARC_STRPN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL430" "INHIBITOR" "Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)" +"gemifloxacin" 1286 "DNA topoisomerase 4 subunit A" "Enzyme" "P0C1U9" "parC" "PARC_STAAU" 6.52 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL430" "Staphylococcus aureus" +"gestodene" 1291 "Cytochrome P450 3A5" "Enzyme" "P20815" "CYP3A5" "CP3A5_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"gestodene" 1291 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"gestrinone" 1292 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 8.11 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1868702" "Tchem" "Homo sapiens" +"gimeracil" 1293 "Dihydropyrimidine dehydrogenase [NADP(+)]" "Enzyme" "Q12882" "DPYD" "DPYD_HUMAN" 6.63827228546143 "Ki" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/3114201" "http://www.ncbi.nlm.nih.gov/pubmed/21668582" "INHIBITOR" "Tclin" "Homo sapiens" +"glafenine" 1297 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 4.65000009536743 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL146095" "Tchem" "Homo sapiens" +"glafenine" 1297 "Bile salt export pump" "Unclassified" "O70127" "Abcb11" "ABCBB_RAT" 4.49 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL146095" "Rattus norvegicus" +"glibornuride" 1298 "Sulfonylurea receptor 1, Kir6.2" "Ion channel" "Q09428|Q14654" "ABCC8|KCNJ11" "ABCC8_HUMAN|KCJ11_HUMAN" 7.04575729370117 "Kd" "[86]Rb+ efflux in RINm5F insulinoma cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/2445740" "http://www.ncbi.nlm.nih.gov/pubmed/2445740" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"glibornuride" 1298 "Sulfonylurea receptor 2, Kir6.2" "Ion channel" "O60706|Q14654" "ABCC9|KCNJ11" "ABCC9_HUMAN|KCJ11_HUMAN" 5.17000007629395 "Ki" "WOMBAT-PK" "=" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"gliclazide" 1299 "Sulfonylurea receptor 1, Kir6.2" "Ion channel" "Q09428|Q14654" "ABCC8|KCNJ11" "ABCC8_HUMAN|KCJ11_HUMAN" 6.22184896469116 "Kd" "[86]Rb+ efflux in RINm5F insulinoma cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/2445740" "http://www.ncbi.nlm.nih.gov/pubmed/2445740" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"gliclazide" 1299 "Sulfonylurea receptor 2, Kir6.2" "Ion channel" "O60706|Q14654" "ABCC9|KCNJ11" "ABCC9_HUMAN|KCJ11_HUMAN" 5.13000011444092 "Ki" "WOMBAT-PK" "=" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"glimepiride" 1300 "Sulfonylurea receptor 2, Kir6.2" "Ion channel" "O60706|Q14654" "ABCC9|KCNJ11" "ABCC9_HUMAN|KCJ11_HUMAN" 7.98000001907349 "Ki" "WOMBAT-PK" "=" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"glimepiride" 1300 "Sulfonylurea receptor 1, Kir6.2" "Ion channel" "Q09428|Q14654" "ABCC8|KCNJ11" "ABCC8_HUMAN|KCJ11_HUMAN" 9.23999977111816 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1481" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"glipizide" 1301 "Sulfonylurea receptor 1, Kir6.2" "Ion channel" "Q09428|Q14654" "ABCC8|KCNJ11" "ABCC8_HUMAN|KCJ11_HUMAN" 9.09691047668457 "Kd" "[86]Rb+ efflux in RINm5F insulinoma cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/2445740" "http://www.ncbi.nlm.nih.gov/pubmed/2445740" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"gliquidone" 1302 "Sulfonylurea receptor 1, Kir6.2" "Ion channel" "Q09428|Q14654" "ABCC8|KCNJ11" "ABCC8_HUMAN|KCJ11_HUMAN" 9 "Kd" "[86]Rb+ efflux in RINm5F insulinoma cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/2445740" "http://www.ncbi.nlm.nih.gov/pubmed/2445740" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"glisoxepide" 1305 "Sulfonylurea receptor 1, Kir6.2" "Ion channel" "Q09428|Q14654" "ABCC8|KCNJ11" "ABCC8_HUMAN|KCJ11_HUMAN" 7.95860719680786 "Kd" "[86]Rb+ efflux in RINm5F insulinoma cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/2445740" "http://www.ncbi.nlm.nih.gov/pubmed/2445740" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"glutamic acid" 1310 "Metabotropic glutamate receptor 8" "GPCR" "O00222" "GRM8" "GRM8_HUMAN" 5.7 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1369" "AGONIST" "Tchem" "Homo sapiens" +"glutamic acid" 1310 "Metabotropic glutamate receptor 3" "GPCR" "Q14832" "GRM3" "GRM3_HUMAN" 7.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1369" "AGONIST" "Tchem" "Homo sapiens" +"glutamic acid" 1310 "Glutamate dehydrogenase 2, mitochondrial" "Enzyme" "P49448" "GLUD2" "DHE4_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"glutamic acid" 1310 "Glutamate dehydrogenase 1, mitochondrial" "Enzyme" "P00367" "GLUD1" "DHE3_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"glutamic acid" 1310 "Glutamate receptor ionotropic, kainate 4" "Ion channel" "Q16099" "GRIK4" "GRIK4_HUMAN" 7.73754891 "Ki" "PDSP" "Tclin" "Homo sapiens" +"glutamic acid" 1310 "Glutamate receptor 3" "Ion channel" "P42263" "GRIA3" "GRIA3_HUMAN" 6.595166283 "Ki" "PDSP" "Tclin" "Homo sapiens" +"glutamic acid" 1310 "Metabotropic glutamate receptor 7" "GPCR" "Q14831" "GRM7" "GRM7_HUMAN" 5.93 "EC50" "Agonist activity at human mGlu7 receptor expressed in HEK293 assessed as inhibition of forskolin stimulated cAMP production" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Tbio" "Homo sapiens" +"glutamic acid" 1310 "Excitatory amino acid transporter 3" "Transporter" "P43005" "SLC1A1" "EAA3_HUMAN" 7.28999996185303 "Ki" "Inhibition of [3H]D-Asp uptake at human EAAT3 in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Tchem" "Homo sapiens" +"glutamic acid" 1310 "Metabotropic glutamate receptor 1" "GPCR" "Q13255" "GRM1" "GRM1_HUMAN" 6.59999990463257 "Ki" "Displacement of [3H]quisqualate from mGluR1 receptor expressed in BHK cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Tchem" "Homo sapiens" +"glutamic acid" 1310 "Metabotropic glutamate receptor 2" "GPCR" "Q14416" "GRM2" "GRM2_HUMAN" 6.53999996185303 "EC50" "Compound was tested for the inhibition of metabotropic glutamate receptor 2 (mGluR2)." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Tchem" "Homo sapiens" +"glutamic acid" 1310 "Metabotropic glutamate receptor 5" "GPCR" "P41594" "GRM5" "GRM5_HUMAN" 6.40999984741211 "Ki" "Binding affinity to mGluR5 receptor expressed in BHK cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Tchem" "Homo sapiens" +"glutamic acid" 1310 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 6.21000003814697 "IC50" "Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Tchem" "Homo sapiens" +"glutamic acid" 1310 "Glutamate receptor ionotropic, kainate 1" "Ion channel" "P39086" "GRIK1" "GRIK1_HUMAN" 6.15000009536743 "Ki" "Binding affinity against human ionotropic glutamate receptor kainate 1 in HK293 cells using [3H]kainate as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Tclin" "Homo sapiens" +"glutamic acid" 1310 "Glutamate receptor ionotropic, kainate 5" "Ion channel" "Q16478" "GRIK5" "GRIK5_HUMAN" 6.15000009536743 "Ki" "Displacement of [3H]kainate from human Ionotropic glutamate receptor ionotropic kainate 1 expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Tclin" "Homo sapiens" +"glutamic acid" 1310 "Glutamate receptor ionotropic, kainate 3" "Ion channel" "Q13003" "GRIK3" "GRIK3_HUMAN" 6.09999990463257 "Ki" "Ability to bind to Ionotropic glutamate receptor ionotropic kainate 3 was evaluated" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Tclin" "Homo sapiens" +"glutamic acid" 1310 "Glutamate receptor 4" "Ion channel" "P48058" "GRIA4" "GRIA4_HUMAN" 6.05999994277954 "Ki" "Compound was tested for binding affinity against human Ionotropic glutamate receptor AMPA 4 in HEK293 cells using [3H]AMPA as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Tclin" "Homo sapiens" +"glutamic acid" 1310 "Glutamate receptor 2" "Ion channel" "P42262" "GRIA2" "GRIA2_HUMAN" 6.03000020980835 "Ki" "Compound was tested for binding affinity against human Ionotropic glutamate receptor AMPA 2 in HK293 cells using [3H]AMPA as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Tclin" "Homo sapiens" +"glutamic acid" 1310 "Glutamate receptor ionotropic, kainate 2" "Ion channel" "Q13002" "GRIK2" "GRIK2_HUMAN" 5.96000003814697 "Ki" "Binding affinity against human GluR6" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Tclin" "Homo sapiens" +"glutamic acid" 1310 "Glutamate receptor 1" "Ion channel" "P42261" "GRIA1" "GRIA1_HUMAN" 5.86999988555908 "Ki" "Compound was tested for binding affinity against human Ionotropic glutamate receptor AMPA 1 in HEK293 cells using [3H]-AMPA as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Tclin" "Homo sapiens" +"glutamic acid" 1310 "Metabotropic glutamate receptor 4" "GPCR" "Q14833" "GRM4" "GRM4_HUMAN" 5.84999990463257 "Ki" "Displacement of [3H]Quisqualate from human mGluR4 receptor expressed in BHK cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Tchem" "Homo sapiens" +"glutamic acid" 1310 "Metabotropic glutamate receptor 6" "GPCR" "O15303" "GRM6" "GRM6_HUMAN" 5.30999994277954 "EC50" "Compound was tested for the inhibition of Metabotropic glutamate receptor 6" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Tbio" "Homo sapiens" +"glutamic acid" 1310 "Excitatory amino acid transporter 1" "Transporter" "P43003" "SLC1A3" "EAA1_HUMAN" 4.46000003814697 "Ki" "Inhibition of [3H]D-Asp uptake at EAAT1 in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Tchem" "Homo sapiens" +"glutamic acid" 1310 "Glutathione reductase, mitochondrial" "Enzyme" "P00390" "GSR" "GSHR_HUMAN" 4.36999988555908 "Ki" "Competitive inhibition of human erythrocyte Glutathione reductase using GSSG substrate by Lineweaver-Burk plot analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Tclin" "Homo sapiens" +"glutamic acid" 1310 "Excitatory amino acid transporter 2" "Transporter" "P43004" "SLC1A2" "EAA2_HUMAN" 4.21000003814697 "Ki" "Inhibition of [3H]D-Asp uptake at human EAAT2 in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Tchem" "Homo sapiens" +"glutamic acid" 1310 "Glutamate receptor 1" "Ion channel" "P19490" "Gria1" "GRIA1_RAT" 4.46 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Rattus norvegicus" +"glutamic acid" 1310 "Glutamate receptor 2" "Ion channel" "P19491" "Gria2" "GRIA2_RAT" 6.55 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Rattus norvegicus" +"glutamic acid" 1310 "Glutamate receptor 3" "Ion channel" "P19492" "Gria3" "GRIA3_RAT" 4 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Rattus norvegicus" +"glutamic acid" 1310 "Glutamate receptor 4" "Ion channel" "P19493" "Gria4" "GRIA4_RAT" 4.77 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Rattus norvegicus" +"glutamic acid" 1310 "Glutamate receptor ionotropic, kainate 1" "Ion channel" "P22756" "Grik1" "GRIK1_RAT" 6.85 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Rattus norvegicus" +"glutamic acid" 1310 "Metabotropic glutamate receptor 1" "Unclassified" "P23385" "Grm1" "GRM1_RAT" 5 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Rattus norvegicus" +"glutamic acid" 1310 "Metabotropic glutamate receptor 2" "Unclassified" "P31421" "Grm2" "GRM2_RAT" 5.4 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Rattus norvegicus" +"glutamic acid" 1310 "Metabotropic glutamate receptor 3" "Unclassified" "P31422" "Grm3" "GRM3_RAT" 5.52 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Rattus norvegicus" +"glutamic acid" 1310 "Metabotropic glutamate receptor 4" "GPCR" "P31423" "Grm4" "GRM4_RAT" 4.92 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Rattus norvegicus" +"glutamic acid" 1310 "Metabotropic glutamate receptor 5" "Unclassified" "P31424" "Grm5" "GRM5_RAT" 5.36 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Rattus norvegicus" +"glutamic acid" 1310 "Metabotropic glutamate receptor 6" "GPCR" "P35349" "Grm6" "GRM6_RAT" 4.8 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Rattus norvegicus" +"glutamic acid" 1310 "Glutamate receptor ionotropic, NMDA 1" "Ion channel" "P35439" "Grin1" "NMDZ1_RAT" 5.54 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Rattus norvegicus" +"glutamic acid" 1310 "Glutamate receptor ionotropic, kainate 2" "Ion channel" "P42260" "Grik2" "GRIK2_RAT" 5.48 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Rattus norvegicus" +"glutamic acid" 1310 "Glutamate receptor ionotropic, kainate 3" "Ion channel" "P42264" "Grik3" "GRIK3_RAT" 6.31 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Rattus norvegicus" +"glutamic acid" 1310 "Metabotropic glutamate receptor 8" "Unclassified" "P47743" "Grm8" "GRM8_MOUSE" 7.66 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Mus musculus" +"glutamic acid" 1310 "Metabotropic glutamate receptor 8" "Unclassified" "P70579" "Grm8" "GRM8_RAT" 5.47 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Rattus norvegicus" +"glutamic acid" 1310 "Glutamate racemase" "Unclassified" "Q03469" "murI" "MURI_LACFE" 4.55 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Lactobacillus fermentum" +"glutamic acid" 1310 "Glutamate racemase" "Unclassified" "P56068" "murI" "MURI_HELPY" 5.24 "Ki" "Inhibition of Helicobacter pylori glutamate racemase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76232" "Helicobacter pylori (strain ATCC 700392 / 26695)" +"glutathione" 1312 "Glutathione S-transferase kappa 1" "Enzyme" "Q9Y2Q3" "GSTK1" "GSTK1_HUMAN" 7.7 "IC50" "Affinity towards recombinant Glutathione S-transferase (GST) Enzyme." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1543" "Tchem" "Homo sapiens" +"glutethimide" 1313 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRB3|GABRG2" "GBRA1_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1102" "POSITIVE MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"glibenclamide" 1314 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.795337488 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "INHIBITOR" "Tchem" "Homo sapiens" +"glibenclamide" 1314 "Cystic fibrosis transmembrane conductance regulator" "Ion channel" "P13569" "CFTR" "CFTR_HUMAN" 4.66 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2414" "BLOCKER" "Tclin" "Homo sapiens" +"glibenclamide" 1314 "Sulfonylurea receptor 1, Kir6.2" "Ion channel" "Q09428|Q14654" "ABCC8|KCNJ11" "ABCC8_HUMAN|KCJ11_HUMAN" 9.52287864685059 "Kd" "[86]Rb+ efflux in RINm5F insulinoma cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/2445740" "http://www.ncbi.nlm.nih.gov/pubmed/2445740" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"glibenclamide" 1314 "Sulfonylurea receptor 2, Kir6.2" "Ion channel" "O60706|Q14654" "ABCC9|KCNJ11" "ABCC9_HUMAN|KCJ11_HUMAN" 8.21000003814697 "Ki" "WOMBAT-PK" "=" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"glibenclamide" 1314 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.13 "IC50" "Inhibition of human ERG potassium channel" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL472" "Tclin" "Homo sapiens" +"glibenclamide" 1314 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 5.28000020980835 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL472" "Tchem" "Homo sapiens" +"glibenclamide" 1314 "Bile salt export pump" "Unclassified" "O70127" "Abcb11" "ABCBB_RAT" 5.55 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL472" "Rattus norvegicus" +"glibenclamide" 1314 "ATP-sensitive inward rectifier potassium channel 11" "Unclassified" "Q61743" "Kcnj11" "KCJ11_MOUSE" 5.7 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2414" "BLOCKER" "Mus musculus" +"glycine" 1319 "Sodium- and chloride-dependent glycine transporter 1" "Transporter" "P48067" "SLC6A9" "SC6A9_HUMAN" 4.5 "IC50" "Inhibition of GlyT1 (unknown origin) assessed as inhibition of [14C]glycine uptake" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL773" "Tchem" "Homo sapiens" +"glycine" 1319 "Glutamate receptor ionotropic, NMDA 1" "Ion channel" "P35439" "Grin1" "NMDZ1_RAT" 6.6 "IC50" "In vitro inhibitory activity to inhibit [3H]glycine binding to NMDA receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL773" "Rattus norvegicus" +"glycine" 1319 "Glutamate NMDA receptor" "Ion channel" "P35439|Q00959|Q00960|Q00961|Q62645|Q8VHN2|Q9R1M7" "Grin1|Grin2a|Grin2b|Grin2c|Grin2d|Grin3a|Grin3b" "NMD3A_RAT|NMD3B_RAT|NMDE1_RAT|NMDE2_RAT|NMDE3_RAT|NMDE4_RAT|NMDZ1_RAT" 6.77 "Ki" "Affinity for the glycine binding site of NMDA receptor by inhibition of [3H]5,7-dichlorokynurenic acid ([3H]DCKA) binding to rat brain synaptic membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL773" "Rattus norvegicus" +"glycyrrhizic acid" 1325 "Corticosteroid 11-beta-dehydrogenase isozyme 1" "Enzyme" "P28845" "HSD11B1" "DHI1_HUMAN" 8.22 "IC50" "Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone into [3H]cortisol by scintillation proximity assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL441687" "Tclin" "Homo sapiens" +"glycyrrhizic acid" 1325 "Corticosteroid 11-beta-dehydrogenase isozyme 1" "Enzyme" "P50172" "Hsd11b1" "DHI1_MOUSE" 8.52 "IC50" "Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone into [3H]cortisol by scintillation proximity assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL441687" "Mus musculus" +"glycyrrhizic acid" 1325 "Corticosteroid 11-beta-dehydrogenase isozyme 2" "Enzyme" "P80365" "HSD11B2" "DHI2_HUMAN" 9.4 "IC50" "Inhibition of human 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [3H]cortisone into [3H]cortisol by scintillation proximity assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL441687" "Tchem" "Homo sapiens" +"goserelin" 1327 "Lutropin-choriogonadotropic hormone receptor" "GPCR" "P22888" "LHCGR" "LSHR_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"goserelin" 1327 "Gonadotropin-releasing hormone receptor" "GPCR" "P30968" "GNRHR" "GNRHR_HUMAN" "Mechanism of Action; CHEMBL1855; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200501" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200501" "AGONIST" "Tclin" "Homo sapiens" +"gossypol" 1328 "Bcl-2-like protein 1" "Cytosolic other" "Q07817" "BCL2L1" "B2CL1_HUMAN" 6.32 "Ki" "Displacement of FAM-Bak from human Bcl-xL by FP assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL51483" "Tchem" "Homo sapiens" +"gossypol" 1328 "Kinesin-like protein 1" "Unclassified" "P52732" "KIF11" "KIF11_HUMAN" 4.97 "IC50" "Inhibition of human recombinant Eg5 ATPase activity expressed in Escherichia coli after 30 mins by malachite green-based spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL51483" "Tchem" "Homo sapiens" +"gossypol" 1328 "Malate dehydrogenase, mitochondrial" "Enzyme" "P00346" "MDH2" "MDHM_PIG" 5.55 "IC50" "Inhibition of pig heart mitochondrial MDH" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL51483" "Sus scrofa" +"gossypol" 1328 "Apoptosis regulator Bcl-2" "Cytosolic other" "P10415" "BCL2" "BCL2_HUMAN" 6.77 "Ki" "Displacement of FAM-Bim peptide from human Bcl2 by fluorescence polarization assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL51483" "Tclin" "Homo sapiens" +"gossypol" 1328 "Aldose reductase" "Enzyme" "P15121" "AKR1B1" "ALDR_HUMAN" 6.3 "Ki" "The compound was tested for inhibitory activity against Aldose reductase from human placenta" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL51483" "Tclin" "Homo sapiens" +"gossypol" 1328 "Beta-lactamase" "Enzyme" "P00811" "ampC" "AMPC_ECOLI" 4.34 "IC50" "Inhibition of Escherichia coli AmpC beta lactamase using relaxed assay conditions in presence of 0.00001% Triton X-100 detergent" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL51483" "Escherichia coli (strain K12)" +"gossypol" 1328 "Malate dehydrogenase, cytoplasmic" "Enzyme" "P11708" "MDH1" "MDHC_PIG" 5.24 "IC50" "Inhibition of pig cytosolic MDH" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL51483" "Sus scrofa" +"gossypol" 1328 "Malate dehydrogenase" "Enzyme" "Q6VVP7" "Q6VVP7_PLAFA" 5.69 "IC50" "Inhibition of Plasmodium falciparum MDH" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL51483" "Plasmodium falciparum" +"gossypol" 1328 "Lactate dehydrogenase" "Enzyme" "Q0PJ46" "LDH" "Q0PJ46_PLAFA" 5.58 "IC50" "Inhibition of Plasmodium falciparum LDH" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL51483" "Plasmodium falciparum" +"gossypol" 1328 "Apoptosis regulator Bcl-W" "Cytosolic other" "Q92843" "BCL2L2" "B2CL2_HUMAN" 4.75 "Ki" "Displacement of Flu-Bak peptide from recombinant antiapoptotic Bcl-w protein by fluorescence polarization assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL51483" "Tchem" "Homo sapiens" +"gossypol" 1328 "Induced myeloid leukemia cell differentiation protein Mcl-1" "Cytosolic other" "Q07820" "MCL1" "MCL1_HUMAN" 6.74 "Ki" "Displacement of FAM-Bid from human Mcl1 by FP assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL51483" "Tchem" "Homo sapiens" +"gossypol" 1328 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 5.59000015258789 "IC50" "PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays: 629 (Primary screen preceding this dose response confirmation assay.)]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL51483" "Tclin" "Homo sapiens" +"gossypol" 1328 "DNA-3-methyladenine glycosylase" "Enzyme" "P29372" "MPG" "3MG_HUMAN" 5.51999998092651 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL51483" "Tchem" "Homo sapiens" +"granisetron" 1329 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 8.7 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL289469" "ANTAGONIST" "Tclin" "Homo sapiens" +"granisetron" 1329 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P17787|P43681" "CHRNA4|CHRNB2" "ACHA4_HUMAN|ACHB2_HUMAN" 4.42 "Ki" "In vitro Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 was determined" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL289469" "Tclin|Tclin" "Homo sapiens" +"granisetron" 1329 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.37 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL289469" "Tchem" "Homo sapiens" +"granisetron" 1329 "Serotonin 3 (5-HT3) receptor" "Ion channel" "P35563|Q9JJ16" "Htr3a|Htr3b" "5HT3A_RAT|5HT3B_RAT" 9.46 "Ki" "Ability to displace [3H]granisetron specifically bound to 5-hydroxytryptamine 3 receptor in rat cortical membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL289469" "Rattus norvegicus" +"granisetron" 1329 "Neuronal acetylcholine receptor subunit alpha-3" "Ion channel" "P32297" "CHRNA3" "ACHA3_HUMAN" 4.17 "Ki" "In vitro Binding affinity towards alpha-3 (PC12) nAChR was determined" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL289469" "Tclin" "Homo sapiens" +"granisetron" 1329 "5-hydroxytryptamine receptor 3B" "Ion channel" "O95264" "HTR3B" "5HT3B_HUMAN" 8.8 "Ki" "GRAC: human 5-HT3B selective antagonist" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL289469" "Tchem" "Homo sapiens" +"granisetron" 1329 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.3 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL289469" "Tchem" "Homo sapiens" +"granisetron" 1329 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.4283 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"grepafloxacin" 1330 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.3 "IC50" "Inhibitory activity against Potassium channel HERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL583" "Tclin" "Homo sapiens" +"grepafloxacin" 1330 "DNA gyrase" "Enzyme" "P0A4L9|P72524" "gyrA|gyrB" "GYRA_STRPN|GYRB_STRPN" "Mechanism of Action; CHEMBL2311225; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL583" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL583" "INHIBITOR" "Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)" +"grepafloxacin" 1330 "DNA topoisomerase 4" "Enzyme" "P72525|Q59961" "parC|parE" "PARC_STRPN|PARE_STRPN" "Mechanism of Action; CHEMBL2363033; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL583" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL583" "INHIBITOR" "Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)" +"griseofulvin" 1331 "Tubulin beta chain" "Structural" "P10875" "TUB2" "TBB_CANAX" "WOMBAT-PK" "Candida albicans" +"griseofulvin" 1331 "Lanosterol 14-alpha demethylase" "Enzyme" "Q16850" "CYP51A1" "CP51A_HUMAN" 4.3 "IC50" "Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL562" "Tchem" "Homo sapiens" +"griseofulvin" 1331 "Tubulin" "Structural" "F2SG63|F2SZ02|F2SZD3" "F2SG63_TRIRC|F2SZ02_TRIRC|F2SZD3_TRIRC" "Mechanism of Action; CHEMBL2364703; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL562" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL562" "INHIBITOR" "Trichophyton rubrum (strain ATCC MYA-4607 / CBS 118892)" +"guaiacol" 1334 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 4.22 "Ki" "Inhibition of human erythrocyte CA1 esterase activity using 4-nitrophenyl acetate substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL13766" "Tclin" "Homo sapiens" +"guaiacol" 1334 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.53 "Ki" "Inhibition of human erythrocyte CA2 esterase activity using 4-nitrophenyl acetate substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL13766" "Tclin" "Homo sapiens" +"guanadrel" 1339 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00226" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1037" "SUBSTRATE" "Tclin" "Homo sapiens" +"guanadrel" 1339 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"guanethidine" 1342 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL765" "SUBSTRATE" "Tclin" "Homo sapiens" +"guanethidine" 1342 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"guanethidine" 1342 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"guanethidine" 1342 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"guanethidine" 1342 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"guanethidine" 1342 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"guanethidine" 1342 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"guanfacine" 1343 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 5.68 "EC50" "WOMBAT-PK" "=" "AGONIST" "Tclin" "Homo sapiens" +"guanfacine" 1343 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.064996849 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"guanfacine" 1343 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.874518734 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"guanfacine" 1343 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.118615343 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"guanfacine" 1343 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.262807357 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"guanfacine" 1343 "Nischarin" "Membrane receptor" "Q9Y2I1" "NISCH" "NISCH_HUMAN" 7.72 "Ki" "Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL862" "Tclin" "Homo sapiens" +"guanfacine" 1343 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.9257 "EC50" "WOMBAT-PK" "=" "AGONIST" "Tclin" "Homo sapiens" +"guanfacine" 1343 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.1642 "EC50" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/022037s011lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"guanfacine" 1343 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 5.87 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL862" "Rattus norvegicus" +"guanidine" 1344 "Voltage-gated potassium channel" "Ion channel" "O43525|O43526|O95259|P16389|P17658|P22001|P22459|P22460|P48547|P51787|P56696|Q03721|Q09470|Q12809|Q14003|Q14721|Q16322|Q6PIU1|Q8NCM2|Q8TAE7|Q8TDN1|Q8TDN2|Q92953|Q96KK3|Q96L42|Q96PR1|Q96RP8|Q9BQ31|Q9H252|Q9H3M0|Q9NR82|Q9NS40|Q9NSA2|Q9NZV8|Q9UIX4|Q9UJ96|Q9UK17|Q9ULD8|Q9ULS6|Q9UQ05" "KCNA1|KCNA10|KCNA2|KCNA3|KCNA4|KCNA5|KCNA6|KCNA7|KCNB1|KCNB2|KCNC1|KCNC2|KCNC3|KCNC4|KCND1|KCND2|KCND3|KCNF1|KCNG1|KCNG2|KCNG3|KCNG4|KCNH1|KCNH2|KCNH3|KCNH4|KCNH5|KCNH6|KCNH7|KCNH8|KCNQ1|KCNQ2|KCNQ3|KCNQ4|KCNQ5|KCNS1|KCNS2|KCNS3|KCNV1|KCNV2" "KCA10_HUMAN|KCNA1_HUMAN|KCNA2_HUMAN|KCNA3_HUMAN|KCNA4_HUMAN|KCNA5_HUMAN|KCNA6_HUMAN|KCNA7_HUMAN|KCNB1_HUMAN|KCNB2_HUMAN|KCNC1_HUMAN|KCNC2_HUMAN|KCNC3_HUMAN|KCNC4_HUMAN|KCND1_HUMAN|KCND2_HUMAN|KCND3_HUMAN|KCNF1_HUMAN|KCNG1_HUMAN|KCNG2_HUMAN|KCNG3_HUMAN|KCNG4_HUMAN|KCNH1_HUMAN|KCNH2_HUMAN|KCNH3_HUMAN|KCNH4_HUMAN|KCNH5_HUMAN|KCNH6_HUMAN|KCNH7_HUMAN|KCNH8_HUMAN|KCNQ1_HUMAN|KCNQ2_HUMAN|KCNQ3_HUMAN|KCNQ4_HUMAN|KCNQ5_HUMAN|KCNS1_HUMAN|KCNS2_HUMAN|KCNS3_HUMAN|KCNV1_HUMAN|KCNV2_HUMAN" "Mechanism of Action; CHEMBL2362996; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL821" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL821" "BLOCKER" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"halazepam" 1348 "GABA-A receptor; anion channel" "Ion channel" "O00591|O14764|P14867|P18505|P18507|P28472|P31644|P34903|P47869|P47870|P48169|P78334|Q16445|Q8N1C3|Q99928|Q9UN88" "GABRA1|GABRA2|GABRA3|GABRA4|GABRA5|GABRA6|GABRB1|GABRB2|GABRB3|GABRD|GABRE|GABRG1|GABRG2|GABRG3|GABRP|GABRQ" "GBRA1_HUMAN|GBRA2_HUMAN|GBRA3_HUMAN|GBRA4_HUMAN|GBRA5_HUMAN|GBRA6_HUMAN|GBRB1_HUMAN|GBRB2_HUMAN|GBRB3_HUMAN|GBRD_HUMAN|GBRE_HUMAN|GBRG1_HUMAN|GBRG2_HUMAN|GBRG3_HUMAN|GBRP_HUMAN|GBRT_HUMAN" "Mechanism of Action; CHEMBL2093872; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL970" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL970" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"ulobetasol propionate" 1349 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action; CHEMBL2034; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200908" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200908" "AGONIST" "Tclin" "Homo sapiens" +"halofantrine" 1350 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.12 "Ki" "Inhibition of human ERG expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1107" "Tclin" "Homo sapiens" +"haloperidol" 1353 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 5.64839696884155 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"haloperidol" 1353 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 8.09691047668457 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"haloperidol" 1353 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.56863641738892 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"haloperidol" 1353 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.99869918823242 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"haloperidol" 1353 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"haloperidol" 1353 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.25963735580444 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"haloperidol" 1353 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.31875896453857 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"haloperidol" 1353 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.94692134857178 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"haloperidol" 1353 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.18243455886841 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"haloperidol" 1353 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 6.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=86" "ANTAGONIST" "Tclin" "Homo sapiens" +"haloperidol" 1353 "Potassium voltage-gated channel subfamily H member 1" "Ion channel" "O95259" "KCNH1" "KCNH1_HUMAN" 6.2 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=86" "BLOCKER" "Tclin" "Homo sapiens" +"haloperidol" 1353 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 6.003488328 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"haloperidol" 1353 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.739928612 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"haloperidol" 1353 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.552841969 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"haloperidol" 1353 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.305394801 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"haloperidol" 1353 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 7.443697499 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"haloperidol" 1353 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.52 "Ki" "WOMBAT-PK" "=" "INVERSE AGONIST" "Tclin" "Homo sapiens" +"haloperidol" 1353 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"haloperidol" 1353 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.15 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "INVERSE AGONIST" "Tclin" "Homo sapiens" +"haloperidol" 1353 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 8.92 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"haloperidol" 1353 "Calmodulin" "Cytosolic other" "P0DP23|P0DP24|P0DP25" "CALM1|CALM2|CALM3" "CALM1_HUMAN|CALM2_HUMAN|CALM3_HUMAN" 6.3 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"haloperidol" 1353 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 7.52 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"haloperidol" 1353 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.9 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"haloperidol" 1353 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 6.45 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"haloperidol" 1353 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.1 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"haloperidol" 1353 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 6.7 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"haloperidol" 1353 "3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase" "Enzyme" "Q15125" "EBP" "EBP_HUMAN" 6.72 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"haloperidol" 1353 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 7.5 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"haloperidol" 1353 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.82 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"haloperidol" 1353 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 5.26 "Ki" "Binding affinity to rat NET" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Rattus norvegicus" +"haloperidol" 1353 "Dopamine receptor" "GPCR" "P20288|Q95136" "DRD1|DRD2" "DRD1_BOVIN|DRD2_BOVIN" 8.74 "IC50" "Inhibition of [3H]haloperidol binding to Dopamine receptor in calf caudate nuclei." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Bos taurus" +"haloperidol" 1353 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 6.58 "Ki" "Binding affinity towards rat 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Rattus norvegicus" +"haloperidol" 1353 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm2|Chrm3|Chrm4|Chrm5" "ACM1_RAT|ACM2_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT" 5.13 "Ki" "In vitro binding affinity against Muscarinic acetylcholine receptors in rat brain." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Rattus norvegicus" +"haloperidol" 1353 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.55 "Ki" "Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]8-OH-DPAT as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Tclin" "Homo sapiens" +"haloperidol" 1353 "D(2) dopamine receptor" "GPCR" "P20288" "DRD2" "DRD2_BOVIN" 9.52 "Ki" "Evaluated for binding towards Dopamine receptor D2 using [3H]-spiperone as radioligand, in cloned mammalian receptors expressed in CHO-K1 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Bos taurus" +"haloperidol" 1353 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.92 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Tclin|Tclin|Tclin" "Homo sapiens" +"haloperidol" 1353 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 8.52 "Ki" "Binding affinity towards baculovirus expressed rat dopamine D3 receptors" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Rattus norvegicus" +"haloperidol" 1353 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.8 "Ki" "Binding affinity to human cloned muscarinic M1 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Tclin" "Homo sapiens" +"haloperidol" 1353 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2a|Htr2b|Htr2c" "5HT2A_RAT|5HT2B_RAT|5HT2C_RAT" 8.38 "Ki" "Binding affinity towards 5-hydroxytryptamine 2 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Rattus norvegicus" +"haloperidol" 1353 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.22 "Ki" "Binding affinity to human cloned 5HT6 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Tchem" "Homo sapiens" +"haloperidol" 1353 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd2|Drd3|Drd4|Drd5" "DRD1_RAT|DRD2_RAT|DRD3_RAT|DRD4_RAT|DRD5_RAT" 8.7 "Ki" "In vitro ability to displace [3H]spiroperidol from rat dopamine receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Rattus norvegicus" +"haloperidol" 1353 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 5.57 "Ki" "Half-maximal inhibition of [3H]clonidine binding to Alpha-2 adrenergic receptor in rat frontal cortex homogenate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Rattus norvegicus" +"haloperidol" 1353 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 7.7 "IC50" "Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]prazosin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Bos taurus" +"haloperidol" 1353 "AP-2 complex subunit sigma" "Unclassified" "P62744" "Ap2s1" "AP2S1_RAT" 7.62 "Ki" "Displacement of [3H]-DTG from rat sigma2 receptor by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Rattus norvegicus" +"haloperidol" 1353 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 5.74 "Ki" "Compound was tested for the binding affinity against rat cortical Muscarinic acetylcholine receptor M1 by Radio ligand [3H]pirenzepine binding assay." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Rattus norvegicus" +"haloperidol" 1353 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.33 "Ki" "Binding affinity to human cloned 5HT2C receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Tclin" "Homo sapiens" +"haloperidol" 1353 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.36 "Ki" "Binding affinity to human cloned histamine H1 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Tclin" "Homo sapiens" +"haloperidol" 1353 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.74 "Ki" "Binding affinity to human SERT" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Tclin" "Homo sapiens" +"haloperidol" 1353 "Adenylate cyclase" "Enzyme" "D4A3N4|P21932|P26769|P26770|P40146|Q03343|Q04400|Q8CFM9" "Adcy1|Adcy2|Adcy3|Adcy4|Adcy5|Adcy6|Adcy8" "ADCY2_RAT|ADCY3_RAT|ADCY4_RAT|ADCY5_RAT|ADCY6_RAT|ADCY8_RAT|D4A3N4_RAT|Q8CFM9_RAT" 5.64 "IC50" "Inhibition of dopamine-sensitive rat brain adenylyl cyclase activity assessed as cAMP level" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Rattus norvegicus" +"haloperidol" 1353 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 6.62 "Ki" "Inhibition of [3H]N-methylscopolamine binding to Muscarinic acetylcholine receptor M2 of rat heart membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Rattus norvegicus" +"haloperidol" 1353 "D(3) dopamine receptor" "GPCR" "P52703" "DRD3" "DRD3_CHLAE" 8.52 "Ki" "Displacement of [3H]-YM 09151 from african monkey Dopamine receptor D3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Chlorocebus aethiops" +"haloperidol" 1353 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.76 "Kd" "Binding affinity towards Alpha-1A adrenergic receptor in rat denuded thoracic aorta" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Rattus norvegicus" +"haloperidol" 1353 "Serotonin 1 (5-HT1) receptor" "GPCR" "P19327|P28564|P28565|P30940" "Htr1a|Htr1b|Htr1d|Htr1f" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT" 4.7 "IC50" "Binding affinity against serotonin-1 receptor in rat brain using [3H]5-HT" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Rattus norvegicus" +"haloperidol" 1353 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.4 "Ki" "The compound was tested for its binding affinity towards 5-hydroxytryptamine 1A receptor by displacing [3H]WB-4101 radioligand in rat hippocampus" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Rattus norvegicus" +"haloperidol" 1353 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 7.7 "Ki" "Affinity for Dopamine receptor D1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Rattus norvegicus" +"haloperidol" 1353 "Pol polyprotein" "Enzyme" "Q72874" "pol" "Q72874_9HIV1" 7 "Ki" "Binding affinity for HIV-1 protease" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Human immunodeficiency virus 1" +"haloperidol" 1353 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 6.42 "Ki" "Half-maximal inhibition of [3H]pyrilamine binding to Histamine H1 receptor in rat frontal cortex homogenate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Rattus norvegicus" +"haloperidol" 1353 "5-hydroxytryptamine receptor 2A" "GPCR" "P50129" "HTR2A" "5HT2A_PIG" 7.52 "Ki" "Displacement of [3H]Ketanserin from 5-HT2 receptor in pig cortex membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Sus scrofa" +"haloperidol" 1353 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprk1|Oprm1|Sigmar1" "OPRD_RAT|OPRK_RAT|OPRM_RAT|SGMR1_RAT" 5.92 "Ki" "Binding affinity was measured against opioid receptor in rat using [3H]naloxone as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Rattus norvegicus" +"haloperidol" 1353 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q9R0C9" "Sigmar1" "SGMR1_RAT" 9.05 "Ki" "Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat brain homogenate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Rattus norvegicus" +"haloperidol" 1353 "D(2) dopamine receptor" "GPCR" "P52702" "DRD2" "DRD2_CHLAE" 8.32 "Ki" "Displacement of [3H]YM-09151 from recombinant African green monkey Dopamine receptor D2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Chlorocebus aethiops" +"haloperidol" 1353 "Serotonin 2 (5-HT2) receptor" "GPCR" "P34968|P35363|Q02152" "Htr2a|Htr2b|Htr2c" "5HT2A_MOUSE|5HT2B_MOUSE|5HT2C_MOUSE" 7.58 "Ki" "Binding affinity against 5-hydroxytryptamine 2 receptor from rat cortical synaptosomal membrane using radioligand [3H]ketanserin." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Mus musculus" +"haloperidol" 1353 "5-hydroxytryptamine receptor 2A" "GPCR" "Q75Z89" "HTR2A" "5HT2A_BOVIN" 7.52 "IC50" "Affinity towards 5-hydroxytryptamine 2A receptor in membranes from bovine frontal cortex using [3H]ketanserin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Bos taurus" +"haloperidol" 1353 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 9.7 "Ki" "Binding towards Dopamine receptor D2 using [3H]spiperone from rat striatal membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Rattus norvegicus" +"haloperidol" 1353 "Protease" "Enzyme" "Q4U254" "protease" "Q4U254_9ENTO" 7 "Ki" "The compound was tested for its affinity against HIV-2 protease" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Human rhinovirus sp" +"haloperidol" 1353 "D(1A) dopamine receptor" "GPCR" "P50130" "DRD1" "DRD1_PIG" 7.03 "Ki" "Displacement of [3H]SCH23390 from D1 receptor from porcine cerebral cortex homogenates" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Sus scrofa" +"haloperidol" 1353 "Sigma non-opioid intracellular receptor 1" "Membrane other" "Q60492" "SIGMAR1" "SGMR1_CAVPO" 9.08 "Ki" "Displacement of [3H](+)-PTZ from sigma1 receptor in Hartley guinea pig brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Cavia porcellus" +"haloperidol" 1353 "C-8 sterol isomerase" "Enzyme" "P32352" "ERG2" "ERG2_YEAST" 9.3 "Ki" "Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"haloperidol" 1353 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 7.35 "Ki" "In vitro ability to displace [3H]ketanserin from 5-hydroxytryptamine 2A receptor in rat brain." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Rattus norvegicus" +"haloperidol" 1353 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 5.301029996 "Ki" "PDSP" "Tchem" "Homo sapiens" +"haloperidol" 1353 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 5.301029996 "Ki" "PDSP" "Tclin" "Homo sapiens" +"haloperidol" 1353 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.301029996 "Ki" "PDSP" "Tclin" "Homo sapiens" +"haloperidol" 1353 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 9.42021656036377 "Kd" "radioligand [3H]spiperone 0.5nM competition binding; human recombinant dopaminereceptors in CHO cells" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/12388666" "INVERSE AGONIST" "Tchem" "Homo sapiens" +"haloperidol" 1353 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 6.4 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "Cavia porcellus" +"haloperidol" 1353 "5-hydroxytryptamine receptor 7" "GPCR" "P32304" "Htr7" "5HT7R_MOUSE" 6.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=86" "ANTAGONIST" "Mus musculus" +"haloperidol" 1353 "G protein-activated inward rectifier potassium channel 2" "Ion channel" "P48542" "Kcnj6" "KCNJ6_MOUSE" 4.1 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=86" "GATING INHIBITOR" "Mus musculus" +"halopredone acetate" 1354 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01743" "http://www.kegg.jp/entry/D01743" "AGONIST" "Tclin" "Homo sapiens" +"haloprogin" 1355 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.549750892 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"haloprogin" 1355 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.339134522 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"haloprogin" 1355 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.36552273 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"haloprogin" 1355 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.561141341 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"haloprogin" 1355 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.159893906 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"haloprogin" 1355 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.865504144 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"haloprogin" 1355 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.730020323 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"haloprogin" 1355 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.600326279 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"haloprogin" 1355 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.779891912 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"haloprogin" 1355 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.230622674 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"haloprogin" 1355 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.805485658 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"haloprogin" 1355 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 6.899629455 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"haloprogin" 1355 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 6.338187314 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"haloprogin" 1355 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 6.308918508 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"haloprogin" 1355 "UDP-glucose 4-epimerase" "Enzyme" "Q14376" "GALE" "GALE_HUMAN" 6.3 "IC50" "Inhibition of human GalE by HPAEC assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289" "Tchem" "Homo sapiens" +"halothane" 1356 "Glycine receptor (alpha-1/beta)" "Ion channel" "P23415|P48167" "GLRA1|GLRB" "GLRA1_HUMAN|GLRB_HUMAN" "Mechanism of Action; CHEMBL2363052; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL931" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL931" "POSITIVE MODULATOR" "Tclin|Tclin" "Homo sapiens" +"halothane" 1356 "GABA-A receptor; anion channel" "Ion channel" "O00591|O14764|P14867|P18505|P18507|P28472|P31644|P34903|P47869|P47870|P48169|P78334|Q16445|Q8N1C3|Q99928|Q9UN88" "GABRA1|GABRA2|GABRA3|GABRA4|GABRA5|GABRA6|GABRB1|GABRB2|GABRB3|GABRD|GABRE|GABRG1|GABRG2|GABRG3|GABRP|GABRQ" "GBRA1_HUMAN|GBRA2_HUMAN|GBRA3_HUMAN|GBRA4_HUMAN|GBRA5_HUMAN|GBRA6_HUMAN|GBRB1_HUMAN|GBRB2_HUMAN|GBRB3_HUMAN|GBRD_HUMAN|GBRE_HUMAN|GBRG1_HUMAN|GBRG2_HUMAN|GBRG3_HUMAN|GBRP_HUMAN|GBRT_HUMAN" "Mechanism of Action; CHEMBL2093872; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL931" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL931" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"halothane" 1356 "Potassium channel subfamily K member 10" "Ion channel" "P57789" "KCNK10" "KCNKA_HUMAN" "Mechanism of Action; CHEMBL2331041; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL931" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL931" "OPENER" "Tclin" "Homo sapiens" +"halothane" 1356 "Potassium channel subfamily K member 18" "Ion channel" "Q7Z418" "KCNK18" "KCNKI_HUMAN" "Mechanism of Action; CHEMBL2331042; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL931" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL931" "OPENER" "Tclin" "Homo sapiens" +"halothane" 1356 "Potassium channel subfamily K member 3" "Ion channel" "O14649" "KCNK3" "KCNK3_HUMAN" "Mechanism of Action; CHEMBL2321613; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL931" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL931" "OPENER" "Tclin" "Homo sapiens" +"halothane" 1356 "Potassium channel subfamily K member 9" "Ion channel" "Q9NPC2" "KCNK9" "KCNK9_HUMAN" "Mechanism of Action; CHEMBL2321614; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL931" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL931" "OPENER" "Tclin" "Homo sapiens" +"halothane" 1356 "Potassium channel subfamily K member 2" "Ion channel" "O95069" "KCNK2" "KCNK2_HUMAN" "Mechanism of Action; CHEMBL2321615; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL931" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL931" "OPENER" "Tclin" "Homo sapiens" +"heparin" 1358 "Antithrombin-III" "Secreted" "P01008" "SERPINC1" "ANT3_HUMAN" 7.85 "Kd" "Catalyses the inactivation of coagulation proteases by activatted antithrombin-III" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4214" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL526514" "ACTIVATOR" "Tclin" "Homo sapiens" +"hesperetin" 1362 "Cytochrome P450 1B1" "Enzyme" "Q16678" "CYP1B1" "CP1B1_HUMAN" 6.29 "IC50" "Inhibition of human CYP1B1 by EROD assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL399121" "Tchem" "Homo sapiens" +"hesperetin" 1362 "Glycogen synthase kinase-3 beta" "Kinase" "P49841" "GSK3B" "GSK3B_HUMAN" 4.57 "IC50" "Inhibition of Homo sapiens (human) recombinant GSK3beta after 30 min by Kinase-Glo assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL399121" "Tclin" "Homo sapiens" +"hesperetin" 1362 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 6.34 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL399121" "Tclin" "Homo sapiens" +"hesperetin" 1362 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 6.99 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL399121" "Tclin" "Homo sapiens" +"hesperetin" 1362 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 8.48 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL399121" "Tclin" "Homo sapiens" +"hetacillin" 1363 "Penicillin-binding protein" "Enzyme" "Q54618|Q75Y37|Q75Y54|Q75YD8|Q75YK0|Q9RET4" "PBP2X|pbp1a|pbp1b|pbp2a|pbp2b|pbp3" "Q54618_STREE|Q75Y37_STREE|Q75Y54_STREE|Q75YD8_STREE|Q75YK0_STREE|Q9RET4_STREE" "Mechanism of Action; CHEMBL2362973; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201116" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201116" "INHIBITOR" "Streptococcus pneumoniae" +"hexachlorophene" 1364 "D-lactate dehydrogenase" "Enzyme" "P06149" "dld" "DLD_ECOLI" "WOMBAT-PK" "Escherichia coli (strain K12)" +"hexachlorophene" 1364 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.190911869 "IC50" "DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"hexachlorophene" 1364 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 6.042871802 "Ki" "DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"hexachlorophene" 1364 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.685879866 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"hexachlorophene" 1364 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.636275231 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"hexachlorophene" 1364 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.440823795 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"hexachlorophene" 1364 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.617676717 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"hexachlorophene" 1364 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 5.994176247 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"hexachlorophene" 1364 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 6.442372512 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"hexachlorophene" 1364 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 5.520727088 "IC50" "DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"hexachlorophene" 1364 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 5.881636056 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"hexachlorophene" 1364 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 6.125750177 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"hexachlorophene" 1364 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 5.911332447 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"hexachlorophene" 1364 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 5.613947151 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"hexachlorophene" 1364 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.458670422 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"hexachlorophene" 1364 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.479018919 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"hexachlorophene" 1364 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.510463371 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"hexachlorophene" 1364 "Mitogen-activated protein kinase 3" "Kinase" "P27361" "MAPK3" "MK03_HUMAN" 5.604778479 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"hexachlorophene" 1364 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 7.057495894 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"hexachlorophene" 1364 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.860215336 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"hexachlorophene" 1364 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.479267622 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"hexachlorophene" 1364 "Sodium/potassium-transporting ATPase subunit alpha-2" "Ion channel" "D2WKD8" "ATP1A2" "AT1A2_PIG" 5.212404936 "IC50" "DRUGMATRIX: ATPase, Na+/K+ enzyme inhibition (substrate: ATP)" "DRUG MATRIX" "=" "Sus scrofa" +"hexachlorophene" 1364 "Mitogen-activated protein kinase 1" "Kinase" "P28482" "MAPK1" "MK01_HUMAN" 6.707743929 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"hexachlorophene" 1364 "Enoyl-[acyl-carrier-protein] reductase [NADH] FabI" "Enzyme" "P0AEK4" "fabI" "FABI_ECOLI" "Mechanism of Action; CHEMBL2364678; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL496" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL496" "INHIBITOR" "Escherichia coli (strain K12)" +"hexachlorophene" 1364 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 7.01000022888184 "IC50" "PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Secondary Assay. (Class of assay: confirmatory) [Related pubchem assays: 633 (Primary screen preceding this ELISA dose response confirmation assay.), 733 (Primary dose response assay preceding this ELISA dose response confirmation assay.)]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL496" "Tclin" "Homo sapiens" +"hexachlorophene" 1364 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 5.67000007629395 "IC50" "PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays: 629 (Primary screen preceding this dose response confirmation assay.)]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL496" "Tclin" "Homo sapiens" +"hexachlorophene" 1364 "Transitional endoplasmic reticulum ATPase" "Enzyme" "P55072" "VCP" "TERA_HUMAN" 5.26000022888184 "IC50" "PUBCHEM_BIOASSAY: Dose response biochemical high throughput screening assay for inhibitors of the p97 ATPase. (Class of assay: confirmatory) [Related pubchem assays: 1481, 1517 ]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL496" "Tchem" "Homo sapiens" +"hexachlorophene" 1364 "Heat shock cognate 71 kDa protein" "Unclassified" "P11142" "HSPA8" "HSP7C_HUMAN" 4.55999994277954 "IC50" "PUBCHEM_BIOASSAY: High Throughput Screening Assay for Hsc70 Inhibitors. (Class of assay: confirmatory) " "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL496" "Tchem" "Homo sapiens" +"hexachlorophene" 1364 "Heat shock 70 kDa protein 1A" "Unclassified" "P0DMV8" "HSPA1A" "HS71A_HUMAN" 4.71999979019165 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL496" "Tchem" "Homo sapiens" +"hexachlorophene" 1364 "Cytoplasmic zinc-finger protein" "Unclassified" "G5EF15" "pos-1" "G5EF15_CAEEL" 4.34 "EC50" "Inconclusive" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL496" "Caenorhabditis elegans" +"hexachlorophene" 1364 "Envelope glycoprotein gp160" "Unclassified" "Q6QLK5" "env" "Q6QLK5_9HIV1" 5.14 "IC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL496" "Human immunodeficiency virus 1" +"hexachlorophene" 1364 "M1-family alanyl aminopeptidase" "Unclassified" "Q8IEK1" "Q8IEK1_PLAF7" 4.24 "IC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL496" "Plasmodium falciparum (isolate 3D7)" +"hexachlorophene" 1364 "Zinc finger protein mex-5" "Cytosolic other" "Q9XUB2" "mex-5" "MEX5_CAEEL" 4.72 "EC50" "Inconclusive" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL496" "Caenorhabditis elegans" +"hexafluronium" 1365 "Butyrylcholinesterase" "Enzyme" "Q9N1N9" "BCHE" "Q9N1N9_HORSE" 6.47 "Ki" "Reversible mixed-type inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor complex by Lineweaver-Burk plot analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200933" "Equus caballus" +"hexafluronium" 1365 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 5.89 "Ki" "Reversible mixed-type inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor complex by Lineweaver-Burk plot analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200933" "Electrophorus electricus" +"hexafluronium" 1365 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" "Mechanism of Action; CHEMBL220; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200933" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200933" "INHIBITOR" "Tclin" "Homo sapiens" +"hexamethonium" 1366 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P09483|P12390" "Chrna4|Chrnb2" "ACHA4_RAT|ACHB2_RAT" 4.66 "Ki" "Binding affinity for nicotinic acetylcholine receptor alpha4-beta2 was evaluated by its ability to inhibit [3H]NIC binding to rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL100622" "Rattus norvegicus" +"hexamethonium" 1366 "Acetylcholine receptor" "Ion channel" "P02710|P02712|P02714|P02718" "CHRNA1|CHRNB1|CHRNG|chrnd" "ACHA_TORCA|ACHB_TORCA|ACHD_TORCA|ACHG_TORCA" 5.74 "Kd" "Compound was evaluated for the binding constant for association with nicotinic acetylcholine receptor (nAChR)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL100622" "Torpedo californica" +"hexamethonium" 1366 "Neuronal acetylcholine receptor subunit alpha-4" "Ion channel" "P43681" "CHRNA4" "ACHA4_HUMAN" 5.17 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3963" "BLOCKER" "Tclin" "Homo sapiens" +"hexamethonium" 1366 "Neuronal acetylcholine receptor subunit alpha-6" "Ion channel" "Q15825" "CHRNA6" "ACHA6_HUMAN" 4.04 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3963" "BLOCKER" "Tchem" "Homo sapiens" +"hexamethonium" 1366 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P17787|P43681" "CHRNA4|CHRNB2" "ACHA4_HUMAN|ACHB2_HUMAN" 4.53999996185303 "IC50" "GRAC: human AChR-alpha4-beta2 channel blocker" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL100622" "Tclin|Tclin" "Homo sapiens" +"hexamethonium" 1366 "Neuronal acetylcholine receptor; alpha4/beta4" "Ion channel" "P30926|P43681" "CHRNA4|CHRNB4" "ACHA4_HUMAN|ACHB4_HUMAN" 4.03999996185303 "IC50" "GRAC: human AChR-alpha4-beta4 channel blocker" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL100622" "Tclin|Tclin" "Homo sapiens" +"hexestrol" 1368 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 10.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2823" "ANTAGONIST" "Tclin" "Homo sapiens" +"hexobarbital" 1369 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRB3|GABRG2" "GBRA1_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" "Tclin|Tclin|Tclin" "Homo sapiens" +"hexobarbital" 1369 "GABA-A receptor alpha-2/beta-3/gamma-2" "Ion channel" "P18507|P28472|P47869" "GABRA2|GABRB3|GABRG2" "GBRA2_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" "Tclin|Tclin|Tclin" "Homo sapiens" +"hexobarbital" 1369 "GABA-A receptor alpha-3/beta-3/gamma-2" "Ion channel" "P18507|P28472|P34903" "GABRA3|GABRB3|GABRG2" "GBRA3_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" "Tclin|Tclin|Tclin" "Homo sapiens" +"hexobarbital" 1369 "GABA-A receptor alpha-5/beta-3/gamma-2" "Ion channel" "P18507|P28472|P31644" "GABRA5|GABRB3|GABRG2" "GBRA5_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" "Tclin|Tclin|Tclin" "Homo sapiens" +"hexobendine" 1370 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.85 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL127300" "Tclin|Tclin|Tclin" "Homo sapiens" +"hexocyclium" 1371 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 8.9 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=323" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201325" "ANTAGONIST" "Tclin" "Homo sapiens" +"hexocyclium" 1371 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "UNKNOWN" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201325" "ANTAGONIST" "Tclin" "Homo sapiens" +"hexocyclium" 1371 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 8.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=323" "ANTAGONIST" "Tclin" "Homo sapiens" +"hexocyclium" 1371 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=323" "ANTAGONIST" "Tclin" "Homo sapiens" +"hexocyclium" 1371 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=323" "ANTAGONIST" "Tclin" "Homo sapiens" +"hexocyclium" 1371 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 8.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=323" "ANTAGONIST" "Rattus norvegicus" +"hexylcaine" 1373 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.15 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1197" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1197" "BLOCKER" "Tclin|Tclin|Tclin" "Homo sapiens" +"hexylresorcinol" 1374 "Polyphenol oxidase 2" "Enzyme" "O42713" "PPO2" "PPO2_AGABI" 6.01 "IC50" "Inhibition of mushroom tyrosine kinase assessed as oxidation of 0.25 mM L-3,4-dihydroxyphenylalanine" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL443605" "Agaricus bisporus" +"hexylresorcinol" 1374 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" 5.55 "IC50" "Inhibition of 5-LO in human PMNL using arachidonic acid as substrate preincubated for 15 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL443605" "Tclin" "Homo sapiens" +"hexylresorcinol" 1374 "Tyrosinase" "Enzyme" "P14679" "TYR" "TYRO_HUMAN" 6.25 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL443605" "Tclin" "Homo sapiens" +"histamine" 1375 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 4.3 "Ki" "Displacement of [125I]iodoaminopotentidine from human histamine H2 receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL90" "Tclin" "Homo sapiens" +"histamine" 1375 "Histamine H2 receptor" "GPCR" "P47747" "HRH2" "HRH2_CAVPO" 6 "EC50" "Agonist activity at guinea pig atrium histamine H2 receptor assessed as potentiation of histamine-induced response after 30 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL90" "Cavia porcellus" +"histamine" 1375 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 8.1 "Ki" "Displacement of [3H]-histamine from human histamine H4 receptor expressed in Sf9 cells coexpressing RGS19, Galphai2, Gbeta1gamma2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL90" "Tchem" "Homo sapiens" +"histamine" 1375 "Histamine H3 receptor" "GPCR" "Q9Y5N1" "HRH3" "HRH3_HUMAN" 8.28 "Ki" "Displacement of [3H[N-alpha-methylhistamine form human recombinant histamine H3 receptor expressed in CHO cells after 1 hr by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL90" "Tclin" "Homo sapiens" +"histamine" 1375 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 4.1 "Ki" "Displacement of [3H]mepyramine from human wild-type histamine H1 receptor expressed in COS-7 cells by liquid scintillation counting" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL90" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL90" "AGONIST" "Tclin" "Homo sapiens" +"histamine" 1375 "Histamine H4 receptor" "GPCR" "Q91ZY2" "Hrh4" "HRH4_MOUSE" 7.1 "Ki" "Binding affinity to mouse histamine H4 receptor expressed in human SK-N-MC cells by radioligand displacement assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL90" "Mus musculus" +"histamine" 1375 "Histamine H3 receptor" "GPCR" "P58406" "Hrh3" "HRH3_MOUSE" 7.17 "Ki" "Displacement of 3-([1,1,1-3H]methyl)-2-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone from mouse histamine H3 receptor expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL90" "Mus musculus" +"histamine" 1375 "Histamine H4 receptor" "GPCR" "Q91ZY1" "Hrh4" "HRH4_RAT" 7.2 "Ki" "Binding affinity to rat histamine H4 receptor expressed in human SK-N-MC cells by radioligand displacement assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL90" "Rattus norvegicus" +"histamine" 1375 "Trace amine-associated receptor 1" "GPCR" "Q96RJ0" "TAAR1" "TAAR1_HUMAN" 5.507658747 "Ki" "PDSP" "Tclin" "Homo sapiens" +"histamine" 1375 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 6.7 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL90" "Cavia porcellus" +"histamine" 1375 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 5.35 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL90" "Rattus norvegicus" +"histamine" 1375 "Histamine H4 receptor" "Unclassified" "Q91ZY3" "HRH4" "Q91ZY3_CAVPO" 8.22 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL90" "Cavia porcellus" +"histamine" 1375 "Histamine H3 receptor" "Unclassified" "Q9JI35" "HRH3" "HRH3_CAVPO" 9.84 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL90" "Cavia porcellus" +"histamine" 1375 "Histamine H3 receptor" "GPCR" "Q9QYN8" "Hrh3" "HRH3_RAT" 8.2 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL90" "Rattus norvegicus" +"homatropine" 1379 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.494850022 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"homatropine" 1379 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.124938737 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"homatropine" 1379 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.795880017 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"homatropine" 1379 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.853871964 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"homatropine" 1379 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.408935393 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"hydralazine" 1384 "Ryanodine receptor 2" "Ion channel" "Q92736" "RYR2" "RYR2_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/23319593" "http://www.ncbi.nlm.nih.gov/pubmed/23319593" "BLOCKER" "Tclin" "Homo sapiens" +"hydralazine" 1384 "Ryanodine receptor 2" "Ion channel" "B0LPN4" "Ryr2" "RYR2_RAT" 7.15181064605713 "IC50" "sarcoplasmic reticulum diastolic Ca2+ leakage" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/23319593" "Rattus norvegicus" +"hydralazine" 1384 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 5.72 "Ki" "Inhibition of Equus caballus (horse) serum butyrylcholinesterase (BChE) assessed as inhibition of BTCh hydrolysis by Ellman method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL276832" "Equus caballus" +"hydralazine" 1384 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 5.15 "Ki" "Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) assessed as inhibition of ATCh hydrolysis by Ellman method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL276832" "Electrophorus electricus" +"hydralazine" 1384 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.437826137 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" +"hydralazine" 1384 "DNA (cytosine-5)-methyltransferase 3B" "Enzyme" "Q9UBC3" "DNMT3B" "DNM3B_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"hydralazine" 1384 "DNA (cytosine-5)-methyltransferase 3A" "Enzyme" "Q9Y6K1" "DNMT3A" "DNM3A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"hydralazine" 1384 "DNA (cytosine-5)-methyltransferase 1" "Enzyme" "P26358" "DNMT1" "DNMT1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"hydralazine" 1384 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"hydralazine" 1384 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"hydrochlorothiazide" 1385 "Solute carrier family 12 member 3" "Transporter" "P55017" "SLC12A3" "S12A3_HUMAN" 7.01 "A2" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL435" "INHIBITOR" "Tclin" "Homo sapiens" +"hydrochlorothiazide" 1385 "Delta carbonic anhydrase" "Unclassified" "Q5U9J1" "ca1" "Q5U9J1_THAWE" 5.37 "Ki" "Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL435" "Thalassiosira weissflogii" +"hydrochlorothiazide" 1385 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 6.48 "Ki" "Inhibition of human carbonic anhydrase 1 after 15 mins by CO2 hydrase assay at pH 7.5" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL435" "Tclin" "Homo sapiens" +"hydrochlorothiazide" 1385 "Astrosclerin-3" "Unclassified" "A6YCJ1" "A6YCJ1_9METZ" 6.4 "Ki" "Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL435" "Astrosclera willeyana" +"hydrochlorothiazide" 1385 "Calcium-activated potassium channel subunit alpha-1" "Ion channel" "Q12791" "KCNMA1" "KCMA1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"hydrochlorothiazide" 1385 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"hydrochlorothiazide" 1385 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.9 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"hydrochlorothiazide" 1385 "Carbonic anhydrase" "Unclassified" "Q5TU56" "Q5TU56_ANOGA" 7.5 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL435" "Anopheles gambiae" +"hydrocodone" 1386 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 6.59 "Ki" "Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1457" "AGONIST" "Tclin" "Homo sapiens" +"hydrocodone" 1386 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 8.02 "Ki" "Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1457" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1457" "AGONIST" "Tclin" "Homo sapiens" +"hydrocortamate" 1387 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action; CHEMBL2034; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200635" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200635" "AGONIST" "Tclin" "Homo sapiens" +"hydrocortisone" 1388 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.5 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL389621" "AGONIST" "Tclin" "Homo sapiens" +"hydrocortisone" 1388 "Nitric oxide synthase, inducible" "Enzyme" "P35228" "NOS2" "NOS2_HUMAN" 8 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"hydrocortisone" 1388 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 7.881 "Ki" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"hydrocortisone" 1388 "Annexin A1" "Cytosolic other" "P04083" "ANXA1" "ANXA1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"hydrocortisone" 1388 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 6.2 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL389621" "Tchem" "Homo sapiens" +"hydrocortisone" 1388 "Glucocorticoid receptor" "Transcription factor" "P06537" "Nr3c1" "GCR_MOUSE" 7.37 "Kd" "Displacement of 1 x 10'-8 M of [1,2,3-3H]-triamcinolone acetonide from glucocorticoid receptor in soluble fraction of mouse L929 cells after 20 hrs" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL389621" "Mus musculus" +"hydrocortisone" 1388 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 9.95 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2868" "AGONIST" "Tclin" "Homo sapiens" +"hydrocortisone cypionate" 1390 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action; CHEMBL2034; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1549" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1549" "AGONIST" "Tclin" "Homo sapiens" +"hydroflumethiazide" 1392 "Solute carrier family 12 member 3" "Transporter" "P55017" "SLC12A3" "S12A3_HUMAN" 7.37 "A2" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1763" "INHIBITOR" "Tclin" "Homo sapiens" +"hydromorphone" 1393 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 8.55 "Ki" "Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL398707" "Tclin" "Homo sapiens" +"hydromorphone" 1393 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 7.42 "Ki" "Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL398707" "Tclin" "Homo sapiens" +"hydromorphone" 1393 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 9.55 "Ki" "Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL398707" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL398707" "AGONIST" "Tclin" "Homo sapiens" +"hydromorphone" 1393 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprk1|Oprm1|Sigmar1" "OPRD_RAT|OPRK_RAT|OPRM_RAT|SGMR1_RAT" 9 "EC50" "Binding affinity to opioid receptor in rat brain homogenates" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL398707" "Rattus norvegicus" +"hydroxyamfetamine" 1394 "Trace amine-associated receptor 1" "GPCR" "Q96RJ0" "TAAR1" "TAAR1_HUMAN" 5.52870845794678 "EC50" "(S) enantiomer activation of hTAAR1 in RD-HGA16 cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/22037049" "http://www.ncbi.nlm.nih.gov/pubmed/22037049" "AGONIST" "Tclin" "Homo sapiens" +"hydroxyamfetamine" 1394 "Trace amine-associated receptor 1" "GPCR" "Q923Y9" "Taar1" "TAAR1_RAT" 7.3 "EC50" "Activation of rat TAAR1 expressed in HEK293 cells assessed as accumulation of [3H]cAMP after 1 hr by competitive binding assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1546" "Rattus norvegicus" +"hydroxyamfetamine" 1394 "Beta-secretase 1" "Enzyme" "P56817" "BACE1" "BACE1_HUMAN" 3.1 "Kd" "Binding affinity to BACE1 by surface plasmon resonance method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1546" "Tchem" "Homo sapiens" +"hydroxychloroquine" 1395 "SARS-CoV-2" "Virus" 5.35 "EC50" "Activity determined against Vero E6 cells" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/32194981" "INHIBITOR" +"hydroxychloroquine" 1395 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.979224512 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"hydroxychloroquine" 1395 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.629671992 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"hydroxychloroquine" 1395 "Hemoglobin subunit alpha" "Secreted" "P69905" "HBA1" "HBA_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"hydroxychloroquine" 1395 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"hydroxychloroquine" 1395 "Toll-like receptor 7" "Membrane receptor" "Q9NYK1" "TLR7" "TLR7_HUMAN" 5.56 "IC50" "Inhibition of hTLR7 R848-induced luciferase reporter gene activation." "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7198" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1535" "ANTAGONIST" "Tclin" "Homo sapiens" +"hydroxychloroquine" 1395 "Toll-like receptor 9" "Membrane receptor" "Q9NR96" "TLR9" "TLR9_HUMAN" 7.1 "IC50" "Inhibition of hTLR9 CpG2006-induced luciferase reporter gene activation." "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7198" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1535" "ANTAGONIST" "Tclin" "Homo sapiens" +"hydroxystilbamidine" 1398 "Trypsin" "Unclassified" "P00761" "TRYP_PIG" 5.5 "AC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1301" "Sus scrofa" +"hydroxycarbamide" 1399 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 4.51 "Ki" "Inhibition of human CA5a" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL467" "Tclin" "Homo sapiens" +"hydroxycarbamide" 1399 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 4.64 "Ki" "Inhibition of human CA9" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL467" "Tclin" "Homo sapiens" +"hydroxycarbamide" 1399 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 4.55 "Ki" "Inhibition of human CA2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL467" "Tclin" "Homo sapiens" +"hydroxycarbamide" 1399 "Ribonucleoside-diphosphate reductase subunit M2" "Enzyme" "P31350" "RRM2" "RIR2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL467" "INHIBITOR" "Tclin" "Homo sapiens" +"hydroxycarbamide" 1399 "Ribonucleoside-diphosphate reductase large subunit" "Enzyme" "P23921" "RRM1" "RIR1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL467" "INHIBITOR" "Tclin" "Homo sapiens" +"hydroxyzine" 1400 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.699 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL896" "ANTAGONIST" "Tclin" "Homo sapiens" +"hydroxyzine" 1400 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.4089 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"hydroxyzine" 1400 "Envelope glycoprotein gp160" "Unclassified" "Q6QLK5" "env" "Q6QLK5_9HIV1" 5.2 "IC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL896" "Human immunodeficiency virus 1" +"hymecromone" 1401 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 4.21 "IC50" "Compound was tested for inhibitory concentration against rat lens aldose reductase (noncompetitive inhibition type)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12208" "Rattus norvegicus" +"hymecromone" 1401 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.09 "Ki" "Inhibition of human recombinant CA12 after 6 hrs by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12208" "Tclin" "Homo sapiens" +"hymecromone" 1401 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 6.25 "Ki" "Inhibition of human recombinant CA9 after 6 hrs by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12208" "Tclin" "Homo sapiens" +"hymecromone" 1401 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 4.09 "IC50" "Inhibition of human recombinant MAOB by fluorimetric method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12208" "Tclin" "Homo sapiens" +"hymecromone" 1401 "Testosterone 17-beta-dehydrogenase 3" "Enzyme" "P37058" "HSD17B3" "DHB3_HUMAN" 6 "IC50" "Inhibition of human 17beta-HSD3 expressed in HeLa cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12208" "Tchem" "Homo sapiens" +"hymecromone" 1401 "Aldose reductase" "Enzyme" "P15121" "AKR1B1" "ALDR_HUMAN" 4.61 "IC50" "Inhibition human recombinant aldose reductase 1 by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12208" "Tclin" "Homo sapiens" +"hyoscyamine" 1402 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 9.8 "Ki" "WOMBAT-PK" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D00147" "ANTAGONIST" "Tclin" "Homo sapiens" +"hyoscyamine" 1402 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 9.3 "Ki" "WOMBAT-PK" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D00147" "ANTAGONIST" "Tclin" "Homo sapiens" +"hyoscyamine" 1402 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 9 "Ki" "WOMBAT-PK" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D00147" "ANTAGONIST" "Tclin" "Homo sapiens" +"hyoscyamine" 1402 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 9.2 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"hyoscyamine" 1402 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 9.9 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ibandronic acid" 1404 "Farnesyl pyrophosphate synthase" "Enzyme" "P14324" "FDPS" "FPPS_HUMAN" 8.44 "Ki" "Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL997" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL997" "INHIBITOR" "Tclin" "Homo sapiens" +"ibandronic acid" 1404 "Geranylgeranyl pyrophosphate synthase" "Enzyme" "O95749" "GGPS1" "GGPPS_HUMAN" 4.1 "IC50" "Inhibition of human recombinant geranylgeranyl diphosphate synthase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL997" "Tchem" "Homo sapiens" +"ibandronic acid" 1404 "Squalene synthase" "Enzyme" "Q02769" "Fdft1" "FDFT_RAT" 6.19 "IC50" "Inhibition of squalene synthase in rat liver microsomes assessed as conversion of [1-3H]FPP to [3H]squalene level after 60 mins by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL997" "Rattus norvegicus" +"ibandronic acid" 1404 "Farnesyl pyrophosphate synthase" "Unclassified" "P05369" "Fdps" "FPPS_RAT" 5.13 "IC50" "in vitro using kidney cell lines" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3059" "INHIBITOR" "Rattus norvegicus" +"ibudilast" 1406 "cAMP-specific 3',5'-cyclic phosphodiesterase 4D" "Enzyme" "Q08499" "PDE4D" "PDE4D_HUMAN" 6.78 "IC50" "Inhibition of human PDE4D" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19449" "Tclin" "Homo sapiens" +"ibudilast" 1406 "cAMP-specific 3',5'-cyclic phosphodiesterase 4A" "Enzyme" "P27815" "PDE4A" "PDE4A_HUMAN" 7.27 "IC50" "Inhibition of human PDE4A" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19449" "Tclin" "Homo sapiens" +"ibudilast" 1406 "cAMP-specific 3',5'-cyclic phosphodiesterase 4C" "Enzyme" "Q08493" "PDE4C" "PDE4C_HUMAN" 6.62 "IC50" "Inhibition of human PDE4C" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19449" "Tclin" "Homo sapiens" +"ibudilast" 1406 "cAMP-specific 3',5'-cyclic phosphodiesterase 4B" "Enzyme" "Q07343" "PDE4B" "PDE4B_HUMAN" 7.19 "IC50" "Inhibition of human PDE4B" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19449" "Tclin" "Homo sapiens" +"ibuprofen" 1407 "Acid-sensing ion channel 1" "Ion channel" "P78348" "ASIC1" "ASIC1_HUMAN" 3.53 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/28949138" "BLOCKER" "Tchem" "Homo sapiens" +"ibuprofen" 1407 "Prostaglandin-H2 D-isomerase" "Enzyme" "O09114" "Ptgds" "PTGDS_MOUSE" 4.89 "IC50" "Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175" "Mus musculus" +"ibuprofen" 1407 "Aldo-keto reductase family 1 member C3" "Enzyme" "P42330" "AKR1C3" "AK1C3_HUMAN" 4.48 "IC50" "Inhibition of recombinant human AKR1C3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175" "Tchem" "Homo sapiens" +"ibuprofen" 1407 "Prostaglandin G/H synthase 2" "Enzyme" "O62698" "PTGS2" "PGH2_BOVIN" 5.96 "IC50" "Inhibition of bovine COX2 by enzyme immunoassay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175" "Bos taurus" +"ibuprofen" 1407 "Prostaglandin G/H synthase 2" "Enzyme" "Q05769" "Ptgs2" "PGH2_MOUSE" 6.07 "IC50" "Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production treated prior to LPS challenge by enzyme immunoassay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175" "Mus musculus" +"ibuprofen" 1407 "Serum albumin" "Secreted" "P02769" "ALB" "ALBU_BOVIN" 5.52 "IC50" "Binding affinity to bovine serum albumin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175" "Bos taurus" +"ibuprofen" 1407 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 4.32 "Ki" "Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP high binding affinity site expressed in Escherichia coli BL21 by competitive fluorescence displacement assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175" "Rattus norvegicus" +"ibuprofen" 1407 "Dehydrogenase/reductase SDR family member 9" "Unclassified" "Q8VD48" "Dhrs9" "DHRS9_RAT" 4 "IC50" "Inhibition of rat liver 3-alpha-HSD assessed as 5-beta-dihydrocortisone reduction" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175" "Rattus norvegicus" +"ibuprofen" 1407 "Prostaglandin G/H synthase 1" "Enzyme" "O62664" "PTGS1" "PGH1_BOVIN" 5.54 "IC50" "Inhibition of bovine COX1 by enzyme immunoassay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175" "Bos taurus" +"ibuprofen" 1407 "Cyclooxygenase" "Enzyme" "P35355|Q63921" "Ptgs1|Ptgs2" "PGH1_RAT|PGH2_RAT" 5.7 "IC50" "Inhibition of Prostaglandin G/H synthase in intact RBL-1 cell line" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175" "Rattus norvegicus" +"ibuprofen" 1407 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 5.05 "Ki" "Inhibition of sheep placental cotyledons COX2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175" "Ovis aries" +"ibuprofen" 1407 "Solute carrier family 22 member 20" "Transporter" "Q80UJ1" "Slc22a20" "S22AK_MOUSE" 5.96 "Ki" "Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175" "Mus musculus" +"ibuprofen" 1407 "Solute carrier family 22 member 6" "Transporter" "Q8VC69" "Slc22a6" "S22A6_MOUSE" 5.33 "Ki" "Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175" "Mus musculus" +"ibuprofen" 1407 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 5.05 "Ki" "Inhibition of sheep placental cotyledons COX1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175" "Ovis aries" +"ibuprofen" 1407 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.12 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175" "INHIBITOR" "Tclin" "Homo sapiens" +"ibuprofen" 1407 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 5.14 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175" "INHIBITOR" "Tclin" "Homo sapiens" +"ibuprofen" 1407 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 4.3 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"ibuprofen" 1407 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"ibuprofen" 1407 "Sodium-coupled monocarboxylate transporter 1" "Transporter" "Q8N695" "SLC5A8" "SC5A8_HUMAN" 4.2 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2713" "INHIBITOR" "Tbio" "Homo sapiens" +"ibuprofen" 1407 "Interleukin-8" "Cytokine" "P10145" "CXCL8" "IL8_HUMAN" 7.30000019073486 "IC50" "Inhibition of CXCL8-induced chemotaxis in human polymorphonuclear leukocyte pretreated for 15 mins measured after 4 hrs by cell migration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175" "Tchem" "Homo sapiens" +"ibuprofen" 1407 "Aldo-keto reductase family 1 member C2" "Enzyme" "P52895" "AKR1C2" "AK1C2_HUMAN" 4.37 "IC50" "Inhibition of human recombinant N-terminal His6-tagged AKR1C2 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175" "Tchem" "Homo sapiens" +"ibuproxam" 1411 "Cyclooxygenase" "Enzyme" "P35355|Q63921" "Ptgs1|Ptgs2" "PGH1_RAT|PGH2_RAT" 5 "IC50" "Inhibition of Prostaglandin G/H synthase in intact RBL-1 cell line" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL292707" "Rattus norvegicus" +"ibuproxam" 1411 "Arachidonate 5-lipoxygenase" "Enzyme" "P12527" "Alox5" "LOX5_RAT" 5.32 "IC50" "In vitro inhibitory activity against 5-lipoxygenase in rat RBL-1 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL292707" "Rattus norvegicus" +"ibutilide" 1412 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 8 "IC50" "Inhibition of human Potassium channel HERG expressed in mammalian cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL533" "BLOCKER" "Tclin" "Homo sapiens" +"icosapent ethyl" 1413 "Diacylglycerol O-acyltransferase 1" "Enzyme" "O75907" "DGAT1" "DGAT1_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/202057s009lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/202057s009lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"idarubicin" 1414 "DNA topoisomerase 2-alpha" "Enzyme" "P11388" "TOP2A" "TOP2A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1117" "INHIBITOR" "Tclin" "Homo sapiens" +"idarubicin" 1414 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"idarubicin" 1414 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"idebenone" 1416 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.15490196 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"idebenone" 1416 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.522878745 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"idebenone" 1416 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.301029996 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"idebenone" 1416 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 6.096910013 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"idoxuridine" 1417 "Thymidine kinase" "Kinase" "A3RLP8" "UL23" "A3RLP8_CHV1" 5.82 "IC50" "Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL788" "Cercopithecine herpesvirus 1" +"idoxuridine" 1417 "Thymidine kinase, cytosolic" "Kinase" "P04183" "TK1" "KITH_HUMAN" 7.05 "Ki" "Binding affinity constant against HSV-1 thymidine kinase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL788" "Tchem" "Homo sapiens" +"ifenprodil" 1419 "Glutamate receptor ionotropic, NMDA 1" "Ion channel" "P35439" "Grin1" "NMDZ1_RAT" 7.14 "IC50" "Inhibition of rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes assessed as inhibition of glutamate and glycine-induced evoked current by two electrode voltage clamp method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL305187" "Rattus norvegicus" +"ifenprodil" 1419 "Glutamate NMDA receptor; GRIN1/GRIN2B" "Ion channel" "Q05586|Q13224" "GRIN1|GRIN2B" "NMDE2_HUMAN|NMDZ1_HUMAN" 8 "Ki" "Displacement of [3H]ifenprodil from human recombinant NR1-1a/NR2B receptor expressed in mouse L(tk-) cells after 120 mins by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL305187" "Tclin|Tclin" "Homo sapiens" +"ifenprodil" 1419 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 7 "IC50" "Compound was tested for the binding affinity against Alpha-1 adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL305187" "Rattus norvegicus" +"ifenprodil" 1419 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6 "IC50" "Compound was tested for the binding affinity against histamine H1 receptor by using [3H]mepyramine as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL305187" "Tclin" "Homo sapiens" +"ifenprodil" 1419 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 8.41 "IC50" "Compound was tested for the binding affinity against sigma receptor by using [3H]-+3PPP as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL305187" "Tclin" "Homo sapiens" +"ifenprodil" 1419 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 7 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL305187" "Tclin" "Homo sapiens" +"ifenprodil" 1419 "Alpha-2A adrenergic receptor" "GPCR" "P22909" "Adra2a" "ADA2A_RAT" 6.96 "IC50" "Compound was tested for the binding affinity against Alpha-1 adrenergic receptor by using [3H]prazosin as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL305187" "Rattus norvegicus" +"ifenprodil" 1419 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q9R0C9" "Sigmar1" "SGMR1_RAT" 8.7 "Ki" "Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL305187" "Rattus norvegicus" +"ifenprodil" 1419 "5-hydroxytryptamine receptor 2A" "GPCR" "Q75Z89" "HTR2A" "5HT2A_BOVIN" 6.21 "IC50" "Compound was tested for the binding affinity against 5-hydroxytryptamine 2 receptor by using [3H]ketanserin as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL305187" "Bos taurus" +"ifenprodil" 1419 "Glutamate receptor ionotropic, NMDA 2B" "Ion channel" "Q13224" "GRIN2B" "NMDE2_HUMAN" 7.7 "IC50" "Inhibition of NMDA receptor GluN2B subunit (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL305187" "Tclin" "Homo sapiens" +"ifenprodil" 1419 "3-beta-hydroxysteroid-delta(8),delta(7)-isomerase" "Unclassified" "Q60490" "EBP" "EBP_CAVPO" 8.57 "Ki" "Inhibition of [3H]-emopamil binding to Sterol delta 8-delta 7 isomerase in guinea pig liver membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL305187" "Cavia porcellus" +"ifenprodil" 1419 "Sigma non-opioid intracellular receptor 1" "Membrane other" "Q60492" "SIGMAR1" "SGMR1_CAVPO" 8.99 "Ki" "Displacement of [3H]-(+)-pentazocine from guinea pig brain sigma1 receptor after 150 mins by scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL305187" "Cavia porcellus" +"ifenprodil" 1419 "5-hydroxytryptamine receptor 1A" "GPCR" "Q64264" "Htr1a" "5HT1A_MOUSE" 6.62 "IC50" "Compound was tested for the binding affinity against 5-hydroxytryptamine 1A receptor by using [3H]DPAT as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL305187" "Mus musculus" +"ifenprodil" 1419 "Glutamate [NMDA] receptor subunit epsilon 2" "Ion channel" "Q00960" "Grin2b" "NMDE2_RAT" 7.96 "Ki" "Displacement of [3H]ifenprodil from rat brain membrane NR2B receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL305187" "Rattus norvegicus" +"iloprost" 1422 "Prostacyclin receptor" "GPCR" "P43119" "PTGIR" "PI2R_HUMAN" 7.75 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL494" "AGONIST" "Tclin" "Homo sapiens" +"iloprost" 1422 "Prostaglandin D2 receptor" "GPCR" "Q13258" "PTGDR" "PD2R_HUMAN" 6.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1895" "AGONIST" "Tclin" "Homo sapiens" +"iloprost" 1422 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P35408" "PTGER4" "PE2R4_HUMAN" 6.68 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1895" "AGONIST" "Tclin" "Homo sapiens" +"iloprost" 1422 "Prostaglandin F2-alpha receptor" "GPCR" "P43088" "PTGFR" "PF2R_HUMAN" 6.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1895" "AGONIST" "Tclin" "Homo sapiens" +"iloprost" 1422 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "P43116" "PTGER2" "PE2R2_HUMAN" 5.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1895" "AGONIST" "Tclin" "Homo sapiens" +"iloprost" 1422 "Thromboxane A2 receptor" "GPCR" "P21731" "TBXA2R" "TA2R_HUMAN" 5.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1895" "AGONIST" "Tclin" "Homo sapiens" +"iloprost" 1422 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P43115" "PTGER3" "PE2R3_HUMAN" 7.3 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"iloprost" 1422 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P34995" "PTGER1" "PE2R1_HUMAN" 7.7 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"iloprost" 1422 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P30557" "Ptger3" "PE2R3_MOUSE" 7.66 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1895" "AGONIST" "Mus musculus" +"iloprost" 1422 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P32240" "Ptger4" "PE2R4_MOUSE" 5.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1895" "AGONIST" "Mus musculus" +"iloprost" 1422 "Prostaglandin E2 receptor EP3 subtype" "Unclassified" "P34980" "Ptger3" "PE2R3_RAT" 9.2 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1895" "AGONIST" "Rattus norvegicus" +"iloprost" 1422 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P35375" "Ptger1" "PE2R1_MOUSE" 7.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1895" "AGONIST" "Mus musculus" +"iloprost" 1422 "Prostacyclin receptor" "Unclassified" "P43252" "Ptgir" "PI2R_MOUSE" 8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1895" "AGONIST" "Mus musculus" +"iloprost" 1422 "Prostaglandin E2 receptor EP1 subtype" "Unclassified" "P70597" "Ptger1" "PE2R1_RAT" 7.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1895" "AGONIST" "Rattus norvegicus" +"iloprost" 1422 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "Q62053" "Ptger2" "PE2R2_MOUSE" 5.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1895" "AGONIST" "Mus musculus" +"iloprost" 1422 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "Q62928" "Ptger2" "PE2R2_RAT" 5.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1895" "AGONIST" "Rattus norvegicus" +"imatinib" 1423 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" 5 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"imatinib" 1423 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 5 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"imatinib" 1423 "Ephrin type-B receptor 1" "Kinase" "P54762" "EPHB1" "EPHB1_HUMAN" 5 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"imatinib" 1423 "Ephrin type-B receptor 4" "Kinase" "P54760" "EPHB4" "EPHB4_HUMAN" 5 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"imatinib" 1423 "Cytoplasmic tyrosine-protein kinase BMX" "Kinase" "P51813" "BMX" "BMX_HUMAN" 5 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"imatinib" 1423 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" 5 "Ki" "PDSP" "=" "AGONIST" "Tclin" "Homo sapiens" +"imatinib" 1423 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 5 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"imatinib" 1423 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.127843727 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"imatinib" 1423 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.26760624 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"imatinib" 1423 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.714442691 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"imatinib" 1423 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 6.70333481 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"imatinib" 1423 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"imatinib" 1423 "Mitogen-activated protein kinase 10" "Kinase" "P53779" "MAPK10" "MK10_HUMAN" 5.51 "Kd" "Binding constant for JNK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tchem" "Homo sapiens" +"imatinib" 1423 "Solute carrier family 22 member 3" "Transporter" "O75751" "SLC22A3" "S22A3_HUMAN" 4.59 "IC50" "Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tchem" "Homo sapiens" +"imatinib" 1423 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 5.2 "Kd" "Binding constant for FLT3(ITD) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tclin" "Homo sapiens" +"imatinib" 1423 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 8.96 "Kd" "Binding constant for ABL1-non phosphorylated kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "INHIBITOR" "Tclin" "Homo sapiens" +"imatinib" 1423 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.12 "Kd" "Binding constant for EGFR(L747-E749del, A750P) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tclin" "Homo sapiens" +"imatinib" 1423 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 7.52 "Ki" "Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tclin" "Homo sapiens" +"imatinib" 1423 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 5.13 "Ki" "Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Mus musculus" +"imatinib" 1423 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.14 "IC50" "Inhibition of P-glycoprotein expressed in A2780/ADR cells by calcein AM assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tchem" "Homo sapiens" +"imatinib" 1423 "Mitogen-activated protein kinase 9" "Kinase" "P45984" "MAPK9" "MK09_HUMAN" 5.28 "Kd" "Average Binding Constant for JNK2; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tchem" "Homo sapiens" +"imatinib" 1423 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 4.59 "IC50" "Inhibition of VEGFR2 by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tclin" "Homo sapiens" +"imatinib" 1423 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 4.51 "Ki" "Inhibition of recombinant human c-Src" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tclin" "Homo sapiens" +"imatinib" 1423 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P00523" "SRC" "SRC_CHICK" 5.56 "IC50" "Inhibition of chicken wild-type cSRC (251 to 533)-mediated phosphorylation of biotinylated poly-Glu-Tyr expressed in Escherichia coli BL21(DE3) preincubated for 30 to 60 mins prior to substrate addition by TR-FRET assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Gallus gallus" +"imatinib" 1423 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 7.51 "Kd" "Binding constant for PDGFRA kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tclin" "Homo sapiens" +"imatinib" 1423 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.38 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tchem" "Homo sapiens" +"imatinib" 1423 "Cyclin-G-associated kinase" "Kinase" "O14976" "GAK" "GAK_HUMAN" 6 "Kd" "Binding constant for GAK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tchem" "Homo sapiens" +"imatinib" 1423 "Mitogen-activated protein kinase kinase kinase MLT" "Kinase" "Q9NYL2" "ZAK" "MLTK_HUMAN" 5.59 "Kd" "Binding constant for ZAK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tchem" "Homo sapiens" +"imatinib" 1423 "Maternal embryonic leucine zipper kinase" "Kinase" "Q14680" "MELK" "MELK_HUMAN" 5.72 "Kd" "Binding constant for full-length MELK" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tchem" "Homo sapiens" +"imatinib" 1423 "Tyrosine-protein kinase SYK" "Kinase" "P43405" "SYK" "KSYK_HUMAN" 5.3 "IC50" "Inhibition of recombinant Syk" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tclin" "Homo sapiens" +"imatinib" 1423 "RAF proto-oncogene serine/threonine-protein kinase" "Kinase" "P04049" "RAF1" "RAF1_HUMAN" 5.77 "Kd" "Binding constant for RAF1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tclin" "Homo sapiens" +"imatinib" 1423 "Serine/threonine-protein kinase B-raf" "Kinase" "P15056" "BRAF" "BRAF_HUMAN" 5.48 "Kd" "Binding constant for BRAF(V600E) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tclin" "Homo sapiens" +"imatinib" 1423 "Tyrosine-protein kinase Fgr" "Kinase" "P09769" "FGR" "FGR_HUMAN" 5.62 "Kd" "Binding constant for FGR kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tchem" "Homo sapiens" +"imatinib" 1423 "Tyrosine-protein kinase FRK" "Kinase" "P42685" "FRK" "FRK_HUMAN" 5.82 "Kd" "Binding constant for FRK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tchem" "Homo sapiens" +"imatinib" 1423 "Dual specificity protein kinase CLK1" "Kinase" "P49759" "CLK1" "CLK1_HUMAN" 5.35 "Kd" "Average Binding Constant for CLK1; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tchem" "Homo sapiens" +"imatinib" 1423 "Ephrin type-A receptor 8" "Kinase" "P29322" "EPHA8" "EPHA8_HUMAN" 5.85 "Kd" "Binding constant for EPHA8 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tchem" "Homo sapiens" +"imatinib" 1423 "Serine/threonine-protein kinase PLK4" "Kinase" "O00444" "PLK4" "PLK4_HUMAN" 5.11 "Kd" "Binding constant for PLK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tchem" "Homo sapiens" +"imatinib" 1423 "Tyrosine-protein kinase ABL1" "Kinase" "P00520" "Abl1" "ABL1_MOUSE" 7.97 "IC50" "Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Mus musculus" +"imatinib" 1423 "Serine/threonine-protein kinase TNNI3K" "Kinase" "Q59H18" "TNNI3K" "TNI3K_HUMAN" 5.37 "Kd" "Binding constant for full-length TNNI3K" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tchem" "Homo sapiens" +"imatinib" 1423 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 7.85 "Kd" "Binding constant for PDGFRB kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "INHIBITOR" "Tclin" "Homo sapiens" +"imatinib" 1423 "Homeodomain-interacting protein kinase 4" "Kinase" "Q8NE63" "HIPK4" "HIPK4_HUMAN" 6.02 "Kd" "Binding constant for HIPK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tchem" "Homo sapiens" +"imatinib" 1423 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 6.46 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells up to 500 uM after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tchem" "Homo sapiens" +"imatinib" 1423 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 7.4 "IC50" "Inhibition of human MATE1-mediated [14]-metformin uptake expressed in polarized MDCK2 cells after 5 mins by liquid scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tchem" "Homo sapiens" +"imatinib" 1423 "Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma" "Kinase" "Q8TBX8" "PIP4K2C" "PI42C_HUMAN" 6.42 "Kd" "Binding constant for PIP5K2C kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tbio" "Homo sapiens" +"imatinib" 1423 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 7.89 "Kd" "Binding constant for KIT kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "INHIBITOR" "Tclin" "Homo sapiens" +"imatinib" 1423 "Serine/threonine-protein kinase 17A" "Kinase" "Q9UEE5" "STK17A" "ST17A_HUMAN" 5.55 "Kd" "Average Binding Constant for STK17A; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tchem" "Homo sapiens" +"imatinib" 1423 "Dual specificity protein kinase CLK4" "Kinase" "Q9HAZ1" "CLK4" "CLK4_HUMAN" 5.68 "Kd" "Binding constant for CLK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tchem" "Homo sapiens" +"imatinib" 1423 "Non-receptor tyrosine-protein kinase TYK2" "Kinase" "P29597" "TYK2" "TYK2_HUMAN" 5.06 "Kd" "Binding constant for TYK2(JH2domain-pseudokinase) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tclin" "Homo sapiens" +"imatinib" 1423 "Interleukin-1 receptor-associated kinase 1" "Kinase" "P51617" "IRAK1" "IRAK1_HUMAN" 5.92 "Kd" "Binding constant for IRAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tchem" "Homo sapiens" +"imatinib" 1423 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 6.05 "Kd" "Binding constant for LYN kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tclin" "Homo sapiens" +"imatinib" 1423 "Lysine--tRNA ligase" "Enzyme" "Q15046" "KARS" "SYK_HUMAN" 5.3 "Ki" "Inhibition of SYK" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tchem" "Homo sapiens" +"imatinib" 1423 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 6.01 "Ki" "Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tclin" "Homo sapiens" +"imatinib" 1423 "Abelson tyrosine-protein kinase 2" "Kinase" "P42684" "ABL2" "ABL2_HUMAN" 8.22 "Kd" "Binding affinity to human active site of N-terminal hexahistidine-tagged ABL2 expressed in Trichoplusia ni infected Sf9 cells by isothermal titration calorimetric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tchem" "Homo sapiens" +"imatinib" 1423 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.34 "Ki" "Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tclin" "Homo sapiens" +"imatinib" 1423 "Tyrosine-protein kinase Blk" "Kinase" "P51451" "BLK" "BLK_HUMAN" 6.28 "Kd" "Binding constant for BLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tchem" "Homo sapiens" +"imatinib" 1423 "Mitogen-activated protein kinase 8" "Kinase" "P45983" "MAPK8" "MK08_HUMAN" 5.49 "Kd" "Average Binding Constant for JNK1; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tchem" "Homo sapiens" +"imatinib" 1423 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.51 "Kd" "Binding constant for FYN kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tclin" "Homo sapiens" +"imatinib" 1423 "Tyrosine-protein kinase ABL" "Kinase" "P00519|P42684" "ABL1|ABL2" "ABL1_HUMAN|ABL2_HUMAN" 7.4 "IC50" "Inhibition of Abl tyrosine kinase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tchem|Tclin" "Homo sapiens" +"imatinib" 1423 "Macrophage colony-stimulating factor 1 receptor" "Kinase" "P07333" "CSF1R" "CSF1R_HUMAN" 7.96 "Kd" "Binding constant for CSF1R kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tclin" "Homo sapiens" +"imatinib" 1423 "Discoidin domain-containing receptor 2" "Kinase" "Q16832" "DDR2" "DDR2_HUMAN" 7.82 "Kd" "Binding constant for DDR2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tchem" "Homo sapiens" +"imatinib" 1423 "Ribosyldihydronicotinamide dehydrogenase [quinone]" "Enzyme" "P16083" "NQO2" "NQO2_HUMAN" 6.4 "IC50" "Competitive inhibition of human recombinant NQO2-mediated mitomycin C metabolism using NADH as cosubstrate incubated for 5 mins prior to NADH addition measured after 30 mins by Michaelis-Menten plot analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tchem" "Homo sapiens" +"imatinib" 1423 "Epithelial discoidin domain-containing receptor 1" "Kinase" "Q08345" "DDR1" "DDR1_HUMAN" 9.15 "Kd" "Binding constant for DDR1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tchem" "Homo sapiens" +"imatinib" 1423 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 7.4 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tclin" "Homo sapiens" +"imatinib" 1423 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 6.28 "Ki" "Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tclin" "Homo sapiens" +"imatinib" 1423 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 4.69 "Ki" "Inhibition of human carbonic anhydrase 5A by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tclin" "Homo sapiens" +"imatinib" 1423 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" 5.47 "IC50" "Inhibition of BCRP expressed in MDCK cells by pheophorbide A assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tchem" "Homo sapiens" +"imatinib" 1423 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 6.33 "Ki" "Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tclin" "Homo sapiens" +"imatinib" 1423 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 6.96 "Ki" "Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tclin" "Homo sapiens" +"imatinib" 1423 "Bcr/Abl fusion protein" "Kinase" "P00519|P11274" "ABL1|BCR" "ABL1_HUMAN|BCR_HUMAN" 7.85 "Ki" "Inhibition of Bcr-Abl" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tclin|Tclin" "Homo sapiens" +"imatinib" 1423 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 7.12 "Ki" "Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tclin" "Homo sapiens" +"imatinib" 1423 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 7.11 "Ki" "Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Mus musculus" +"imatinib" 1423 "Cyclin-dependent kinase 19" "Kinase" "Q9BWU1" "CDK19" "CDK19_HUMAN" 5.26 "Kd" "Binding constant for CDK11 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tchem" "Homo sapiens" +"imatinib" 1423 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 7.5 "Ki" "Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tclin" "Homo sapiens" +"imatinib" 1423 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 4.77 "Ki" "Inhibition of human carbonic anhydrase 5B by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tclin" "Homo sapiens" +"imatinib" 1423 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 6.41 "Ki" "Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tclin" "Homo sapiens" +"imatinib" 1423 "Platelet-derived growth factor receptor" "Kinase" "P09619|P16234" "PDGFRA|PDGFRB" "PGFRA_HUMAN|PGFRB_HUMAN" 7.3 "IC50" "Inhibition of the platelet-derived growth factor receptor." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tclin|Tclin" "Homo sapiens" +"imatinib" 1423 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 4.86 "IC50" "Inhibition of p38alpha" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "Tchem" "Homo sapiens" +"imidapril" 1424 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 5 "IC50" "Inhibitory activity on Angiotensin I converting enzyme (ACE) obtained from pig renal cortex and hippuryl-histidyl-leucine as substrate" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL99701" "http://www.ncbi.nlm.nih.gov/pubmed/1666418" "INHIBITOR" "Tclin" "Homo sapiens" +"imipenem" 1426 "Beta-lactamase GES-13" "Enzyme" "D1MIX9" "blaGES-13" "D1MIX9_PSEAI" 6.82 "IC50" "Inhibition of Pseudomonas aeruginosa GES-13 beta lactamase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL148" "Pseudomonas aeruginosa" +"imipenem" 1426 "Beta-lactamase" "Enzyme" "A2RP81" "blaPER-2" "A2RP81_CITFR" 7.22 "Ki" "Inhibition of Citrobacter freundii PER2 beta lactamase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL148" "Citrobacter freundii" +"imipenem" 1426 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL148" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL148" "INHIBITOR" "Escherichia coli (strain K12)" +"imipenem" 1426 "Penicillin-binding protein 1" "Enzyme" "A1KS91" "ponA" "A1KS91_NEIMF" 7 "IC50" "WOMBAT-PK" "=" "Neisseria meningitidis serogroup C / serotype 2a (strain ATCC 700532 / DSM 15464 / FAM18)" +"imipenem" 1426 "Penicillin-binding protein 4" "Enzyme" "Q5D1E9" "Q5D1E9_STAAU" 7.3 "IC50" "WOMBAT-PK" "=" "Staphylococcus aureus" +"imipramine" 1427 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.07058095932007 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"imipramine" 1427 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.23657178878784 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"imipramine" 1427 "Potassium voltage-gated channel subfamily H member 1" "Ion channel" "O95259" "KCNH1" "KCNH1_HUMAN" 5.7 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=357" "BLOCKER" "Tclin" "Homo sapiens" +"imipramine" 1427 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 7.38 "Ki" "Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11" "Rattus norvegicus" +"imipramine" 1427 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2a|Htr2b|Htr2c" "5HT2A_RAT|5HT2B_RAT|5HT2C_RAT" 7.64 "Ki" "Binding affinity towards 5-hydroxytryptamine 2 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11" "Rattus norvegicus" +"imipramine" 1427 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 8.36 "IC50" "Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11" "Tchem" "Homo sapiens" +"imipramine" 1427 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd2|Drd3|Drd4|Drd5" "DRD1_RAT|DRD2_RAT|DRD3_RAT|DRD4_RAT|DRD5_RAT" 6.19 "IC50" "Concentration of compound for 50% displacement of [3H]spiperone from Dopamine receptor in rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11" "Rattus norvegicus" +"imipramine" 1427 "Muscarinic acetylcholine receptor M5" "GPCR" "P08911" "Chrm5" "ACM5_RAT" 6.52 "IC50" "Binding affinity towards muscarinic acetylcholine receptor by inhibiting specific binding of [3H]quinuclidinyl benzilate (0.8 nM) in vitro to membranes of rat brain without cerebellum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11" "Rattus norvegicus" +"imipramine" 1427 "Sodium-dependent dopamine transporter" "Transporter" "Q61327" "Slc6a3" "SC6A3_MOUSE" 7.38 "Ki" "Tested in vitro for serotonin(5-HT) neuronal uptake inhibition" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11" "Mus musculus" +"imipramine" 1427 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 8.77 "IC50" "Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11" "Rattus norvegicus" +"imipramine" 1427 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 6.59 "Ki" "In vitro binding affinity at Alpha-2 adrenergic receptor in rat cortex by radioligand binding assay using [3H]rauwolscine" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11" "Rattus norvegicus" +"imipramine" 1427 "Sodium-dependent noradrenaline transporter" "Transporter" "O55192" "Slc6a2" "SC6A2_MOUSE" 7.92 "Ki" "Tested in vitro for norepinephrine (NE) neuronal uptake inhibition" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11" "Mus musculus" +"imipramine" 1427 "Pleiotropic ABC efflux transporter of multiple drugs" "Transporter" "P33302" "PDR5" "PDR5_YEAST" 4.66 "IC50" "Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"imipramine" 1427 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.77 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11" "Tchem" "Homo sapiens" +"imipramine" 1427 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 7.92 "Ki" "Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11" "Rattus norvegicus" +"imipramine" 1427 "5-hydroxytryptamine receptor 2C" "GPCR" "P34968" "Htr2c" "5HT2C_MOUSE" 6.8 "Ki" "Binding affinity to 5-hydroxytryptamine 2C receptor using [3H]Mesulergine as radioligand in stably transfected NIH3T3 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11" "Mus musculus" +"imipramine" 1427 "Glutamate NMDA receptor" "Ion channel" "P35439|Q00959|Q00960|Q00961|Q62645|Q8VHN2|Q9R1M7" "Grin1|Grin2a|Grin2b|Grin2c|Grin2d|Grin3a|Grin3b" "NMD3A_RAT|NMD3B_RAT|NMDE1_RAT|NMDE2_RAT|NMDE3_RAT|NMDE4_RAT|NMDZ1_RAT" 4.85 "IC50" "Inhibition of [3H]MK-801 binding to NMDA receptor of rat cerebral cortical synaptic membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11" "Rattus norvegicus" +"imipramine" 1427 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm2|Chrm3|Chrm4|Chrm5" "ACM1_RAT|ACM2_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT" 7.19 "Ki" "Binding affinity against Muscarinic acetylcholine receptor was determined in homogenized rat cortex tissue using [3H]N-methylscopolamine as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11" "Rattus norvegicus" +"imipramine" 1427 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 7.34 "Ki" "In vitro binding affinity at Alpha-1 adrenergic receptor by radioligand binding assay using [3H]prazosin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11" "Rattus norvegicus" +"imipramine" 1427 "D(2) dopamine receptor" "GPCR" "P61168" "Drd2" "DRD2_MOUSE" 6.14 "Ki" "Binding affinity to Dopamine receptor D2 using [3H]spiperone as radioligand in stably transfected NIH3T3 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11" "Mus musculus" +"imipramine" 1427 "Sodium-dependent serotonin transporter" "Transporter" "Q60857" "Slc6a4" "SC6A4_MOUSE" 8.3 "Ki" "Binding affinity to Serotonin transporter using [3H]-paroxetine as radioligand in stably transfected NIH3T3 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11" "Mus musculus" +"imipramine" 1427 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.44 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11" "Tclin|Tclin|Tclin" "Homo sapiens" +"imipramine" 1427 "Major prion protein" "Surface antigen" "P04156" "PRNP" "PRIO_HUMAN" 5 "EC50" "Half maximal inhibition of Prion protein PrPsc formation was assayed in ScN2a cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11" "Tchem" "Homo sapiens" +"imipramine" 1427 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 10.22 "IC50" "Compound tested for its inhibitory activity against Histamine H1 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11" "Rattus norvegicus" +"imipramine" 1427 "Serotonin (5-HT) receptor" "GPCR" "P08909|P14842|P19327|P28564|P28565|P30940|P30994|P31388|P32305|P35364|P35365|P35563|Q62758|Q9JJ16" "Htr1a|Htr1b|Htr1d|Htr1f|Htr2a|Htr2b|Htr2c|Htr3a|Htr3b|Htr4|Htr5a|Htr5b|Htr6|Htr7" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT|5HT2A_RAT|5HT2B_RAT|5HT2C_RAT|5HT3A_RAT|5HT3B_RAT|5HT4R_RAT|5HT5A_RAT|5HT5B_RAT|5HT6R_RAT|5HT7R_RAT" 7.36 "IC50" "Compound was tested for its inhibitory activity against 5-hydroxytryptamine receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11" "Rattus norvegicus" +"imipramine" 1427 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.4318 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11" "INHIBITOR" "Tclin" "Homo sapiens" +"imipramine" 1427 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 8.8539 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11" "INHIBITOR" "Tclin" "Homo sapiens" +"imipramine" 1427 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.284 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"imipramine" 1427 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.0809 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"imipramine" 1427 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.9508 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"imipramine" 1427 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.2218 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"imipramine" 1427 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 8.08 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"imipramine" 1427 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.3768 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"imipramine" 1427 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.6138 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"imipramine" 1427 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.4122 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"imipramine" 1427 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.1 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"imipramine" 1427 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.4949 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"imipramine" 1427 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.7959 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"imipramine" 1427 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.8249 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"imipramine" 1427 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.9 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"imipramine" 1427 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.1733 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"imipramine" 1427 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.2218 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"imipramine" 1427 "G protein-activated inward rectifier potassium channel 2" "Ion channel" "P48542" "Kcnj6" "KCNJ6_MOUSE" 4.3 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=357" "BLOCKER" "Mus musculus" +"imipramine" 1427 "G protein-activated inward rectifier potassium channel 4" "Unclassified" "P48545" "Kcnj5" "KCNJ5_MOUSE" 4.5 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=357" "BLOCKER" "Mus musculus" +"imiquimod" 1429 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 5.524764777 "Ki" "DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"imiquimod" 1429 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.829444941 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"imiquimod" 1429 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.890084137 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"imiquimod" 1429 "Toll-like receptor 7" "Membrane receptor" "Q9NYK1" "TLR7" "TLR7_HUMAN" 4.97 "EC50" "Agonist activity at human TLR-7 expressed in HEK293 cells after 24 hrs by SEAP reporter gene assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1282" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1282" "AGONIST" "Tclin" "Homo sapiens" +"incadronic acid" 1431 "Farnesyl pyrophosphate synthase" "Enzyme" "P14324" "FDPS" "FPPS_HUMAN" 7.52287864685059 "IC50" "inhibition of human recombinant FPP synthase" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/11160603" "http://www.ncbi.nlm.nih.gov/pubmed/11160603" "INHIBITOR" "Tclin" "Homo sapiens" +"incadronic acid" 1431 "Vacuolar-type proton translocating pyrophosphatase 1" "Unclassified" "Q8MTZ4" "PPase1" "Q8MTZ4_9TRYP" 4.35 "IC50" "Inhibition of recombinant Trypanosoma brucei soluble vacuolar pyrophosphatase expressed in Escherichia coli" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53950" "Trypanosoma brucei" +"incadronic acid" 1431 "Farnesyl pyrophosphate synthase" "Enzyme" "Q0GKD7" "Q0GKD7_LEIDO" 6.8 "IC50" "Inhibitory activity against Leishmania major Farnesyl diphosphate synthase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53950" "Leishmania donovani" +"indalpine" 1432 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 8.7 "Ki" "Effect of compound on Serotonin transporter uptake from rat cortex using [3H]citalopram as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL276520" "Rattus norvegicus" +"indapamide" 1433 "Solute carrier family 12 member 3" "Transporter" "P55017" "SLC12A3" "S12A3_HUMAN" 7.54 "A2" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL406" "INHIBITOR" "Tclin" "Homo sapiens" +"indapamide" 1433 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.534914712 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" +"indapamide" 1433 "Potassium voltage-gated channel subfamily KQT member 1" "Ion channel" "P51787" "KCNQ1" "KCNQ1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"indapamide" 1433 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 6.7 "Kd" "Binding affinity to human recombinant carbonic anhydrase 2 by isothermal titration calorimetry assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL406" "Tclin" "Homo sapiens" +"indapamide" 1433 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 7.89 "Ki" "Inhibition of mouse recombinant full length CA13 by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL406" "Mus musculus" +"indapamide" 1433 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 8 "Ki" "Inhibition of human recombinant CA12 catalytic domain by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL406" "Tclin" "Homo sapiens" +"indapamide" 1433 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 6.67 "Ki" "Inhibition of human recombinant full length CA4 by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL406" "Tclin" "Homo sapiens" +"indapamide" 1433 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 7 "Kd" "Binding affinity to human recombinant carbonic anhydrase 13 by thermal shift assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL406" "Tclin" "Homo sapiens" +"indapamide" 1433 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 6.05 "Ki" "Inhibition of human recombinant full length CA5A by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL406" "Tclin" "Homo sapiens" +"indapamide" 1433 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 5.31 "Ki" "Inhibition of human recombinant full length CA14 by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL406" "Tclin" "Homo sapiens" +"indapamide" 1433 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 9.64 "Ki" "Inhibition of human recombinant full length CA7 by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL406" "Tclin" "Homo sapiens" +"indapamide" 1433 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 7.44 "Ki" "Inhibition of human recombinant CA9 catalytic domain by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL406" "Tclin" "Homo sapiens" +"indapamide" 1433 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5 "Kd" "Binding affinity to human recombinant carbonic anhydrase 1 by thermal shift assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL406" "Tclin" "Homo sapiens" +"indapamide" 1433 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 6.56 "Ki" "Inhibition of human recombinant full length CA5B by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL406" "Tclin" "Homo sapiens" +"indapamide" 1433 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 6.6 "Kd" "Binding affinity to human recombinant carbonic anhydrase 6 expressed in Escherichia coli Rosetta2 (DE3) by thermal shift assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL406" "Tclin" "Homo sapiens" +"indecainide" 1434 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00192" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200341" "BLOCKER" "Tclin" "Homo sapiens" +"indenolol" 1436 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"indenolol" 1436 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"indinavir" 1437 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6.397940009 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"indinavir" 1437 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.732593581 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"indinavir" 1437 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.769551079 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"indinavir" 1437 "Gag-Pol polyprotein" "Polyprotein" "P03367" "gag-pol" "POL_HV1BR" 9.2218 "IC50" "WOMBAT-PK" "=" "Human immunodeficiency virus type 1 group M subtype B (isolate BRU/LAI)" +"indinavir" 1437 "Pol polyprotein" "Enzyme" "Q72874" "pol" "Q72874_9HIV1" 10.15 "Ki" "Inhibition of HIV-1 Protease activity" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL115" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL115" "INHIBITOR" "Human immunodeficiency virus 1" +"indinavir" 1437 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 5.11 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells up to 500 uM after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL115" "Tchem" "Homo sapiens" +"indinavir" 1437 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.77 "IC50" "Inhibition of human MATE1-mediated [14]-metformin uptake expressed in HEK293 cells after 1.5 mins by scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL115" "Tchem" "Homo sapiens" +"indinavir" 1437 "Protease" "Enzyme" "Q4U254" "protease" "Q4U254_9ENTO" 8.48 "Ki" "Binding affinity against HIV-2 protease enzyme." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL115" "Human rhinovirus sp" +"indinavir" 1437 "Protease" "Enzyme" "Q9YQ12" "protease" "Q9YQ12_9HIV1" 9.27 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL115" "Human immunodeficiency virus 1" +"indisetron" 1438 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 8.73992824554443 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/19967488" "http://www.ncbi.nlm.nih.gov/pubmed/19967488" "ANTAGONIST" "Tclin" "Homo sapiens" +"indobufen" 1439 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"indobufen" 1439 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"indomethacin" 1440 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "P43116" "PTGER2" "PE2R2_HUMAN" 7.69055795669556 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"indomethacin" 1440 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 7.38 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1909" "AGONIST" "Tclin" "Homo sapiens" +"indomethacin" 1440 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 5.439973751 "IC50" "DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde)" "DRUG MATRIX" "=" "Rattus norvegicus" +"indomethacin" 1440 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 7.21 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6" "INHIBITOR" "Tclin" "Homo sapiens" +"indomethacin" 1440 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.33 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6" "INHIBITOR" "Tclin" "Homo sapiens" +"indomethacin" 1440 "Prostaglandin D2 receptor 2" "GPCR" "Q9Y5Y4" "PTGDR2" "PD2R2_HUMAN" 6.53 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"indomethacin" 1440 "Aldo-keto reductase family 1 member C3" "Enzyme" "P42330" "AKR1C3" "AK1C3_HUMAN" 7 "IC50" "Inhibition of human recombinant AKR1C3-mediated NADP+-dependent oxidation of S-(+)-1,2,3,4-tetrahydro-1-naphthol" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6" "Tchem" "Homo sapiens" +"indomethacin" 1440 "Interleukin-8" "Cytokine" "P10145" "CXCL8" "IL8_HUMAN" 7.3 "IC50" "Inhibition of CXCL8-induced chemotaxis in human polymorphonuclear leukocyte pretreated for 15 mins measured after 4 hrs by cell migration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6" "Tchem" "Homo sapiens" +"indomethacin" 1440 "Aldose reductase" "Enzyme" "P16116" "AKR1B1" "ALDR_BOVIN" 5.3 "IC50" "Inhibition of Aldose reductase (AR)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6" "Bos taurus" +"indomethacin" 1440 "Prostaglandin G/H synthase (cyclooxygenase)" "Enzyme" "P05979|P79208" "PTGS1|PTGS2" "PGH1_SHEEP|PGH2_SHEEP" 6.82 "IC50" "Inhibition of ram seminal vesicle Cyclooxygenase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6" "Ovis aries" +"indomethacin" 1440 "Prostaglandin E synthase" "Enzyme" "O14684" "PTGES" "PTGES_HUMAN" 4.39 "IC50" "Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as inhibition of PGE2 formation from PGH2 after 15 mins by RP-HPLC analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6" "Tchem" "Homo sapiens" +"indomethacin" 1440 "Aldo-keto reductase family 1 member C4" "Enzyme" "P17516" "AKR1C4" "AK1C4_HUMAN" 4.27 "IC50" "Inhibition of human recombinant GST-tagged AKR1C4 expressed in Escherichia coli using S-tetralol as substrate by fluorometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6" "Tbio" "Homo sapiens" +"indomethacin" 1440 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 9.85 "EC50" "Agonist activity at androgen receptor (unknown origin) expressed in HeLa cells co-expressing PSA-(ARE)4-Luc13 assessed as induction of DHT-induced luciferase activity after 20 mins by luciferase reporter gene assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6" "Tclin" "Homo sapiens" +"indomethacin" 1440 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 5.1 "Ki" "Inhibition of ovine COX1 pre-incubated before addition of [1-14C]arachidonic acid" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6" "Ovis aries" +"indomethacin" 1440 "Prostaglandin-H2 D-isomerase" "Enzyme" "O09114" "Ptgds" "PTGDS_MOUSE" 6.3 "IC50" "Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6" "Mus musculus" +"indomethacin" 1440 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" 4.92 "IC50" "Inhibition of human MRP1 in human 2008 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6" "Tchem" "Homo sapiens" +"indomethacin" 1440 "Aldo-keto reductase family 1 member C2" "Enzyme" "P52895" "AKR1C2" "AK1C2_HUMAN" 4.44 "IC50" "Inhibition of human recombinant AKR1C2-mediated NADP+-dependent oxidation of S-(+)-1,2,3,4-tetrahydro-1-naphthol" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6" "Tchem" "Homo sapiens" +"indomethacin" 1440 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 6.47 "IC50" "Inhibition of ovine COX2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6" "Ovis aries" +"indomethacin" 1440 "Prostaglandin G/H synthase 2" "Enzyme" "Q05769" "Ptgs2" "PGH2_MOUSE" 8.19 "IC50" "IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6" "Mus musculus" +"indomethacin" 1440 "Prostaglandin G/H synthase 1" "Enzyme" "P22437" "Ptgs1" "PGH1_MOUSE" 8.7 "IC50" "In vitro inhibitory activity against Prostaglandin G/H synthase 1 in murine J774 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6" "Mus musculus" +"indomethacin" 1440 "Cyclooxygenase" "Enzyme" "P35355|Q63921" "Ptgs1|Ptgs2" "PGH1_RAT|PGH2_RAT" 7 "IC50" "In vitro inhibitory activity against polymorphonuclear leukocyte Prostaglandin G/H synthase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6" "Rattus norvegicus" +"indomethacin" 1440 "Prostaglandin G/H synthase 2" "Enzyme" "P35355" "Ptgs2" "PGH2_RAT" 8 "IC50" "Inhibition of Prostaglandin G/H synthase 2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6" "Rattus norvegicus" +"indomethacin" 1440 "Cyclooxygenase" "Enzyme" "O62664|O62698" "PTGS1|PTGS2" "PGH1_BOVIN|PGH2_BOVIN" 6.37 "IC50" "Inhibitory activity against Prostaglandin G/H synthase (bovine seminal vesicles)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6" "Bos taurus" +"indomethacin" 1440 "Prostaglandin G/H synthase 1" "Enzyme" "Q63921" "Ptgs1" "PGH1_RAT" 8.22 "IC50" "Inhibition of Prostaglandin G/H synthase 1 using whole cell assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6" "Rattus norvegicus" +"indomethacin" 1440 "Dehydrogenase/reductase SDR family member 9" "Enzyme" "Q9BPW9" "DHRS9" "DHRS9_HUMAN" 4.85 "IC50" "Inhibition of 3alphaHSD" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6" "Tbio" "Homo sapiens" +"indomethacin" 1440 "Prostaglandin G/H synthase 1" "Enzyme" "O62664" "PTGS1" "PGH1_BOVIN" 8.39 "IC50" "Inhibition of bovine COX1 assessed as inhibition of calcium ionophore A23187-induced 12-hydroxyheptadecatrienoic acid formation by reverse-phase HPLC analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6" "Bos taurus" +"indomethacin" 1440 "Lactoylglutathione lyase" "Enzyme" "Q04760" "GLO1" "LGUL_HUMAN" 4.74 "Ki" "Inhibition of glyoxalase 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6" "Tchem" "Homo sapiens" +"indomethacin" 1440 "Nitric oxide synthase, inducible" "Enzyme" "P29477" "Nos2" "NOS2_MOUSE" 4.7 "IC50" "Inhibition of iNOS in mouse RAW264.7 cells assessed as inhibition of LPS-induced nitric oxide production for 2 hrs by DAF-FMDA dye based fluorometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6" "Mus musculus" +"indomethacin" 1440 "Aldose reductase" "Enzyme" "P15121" "AKR1B1" "ALDR_HUMAN" 5.22 "IC50" "In vitro inhibition of rabbit lens aldose reductase." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6" "Tclin" "Homo sapiens" +"indomethacin" 1440 "Potassium voltage-gated channel subfamily A member 7" "Ion channel" "Q96RP8" "KCNA7" "KCNA7_HUMAN" 7.5 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"indomethacin" 1440 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 4.49 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6" "Tchem" "Homo sapiens" +"indomethacin" 1440 "Prostaglandin D2 receptor 2" "Unclassified" "Q9Z2J6" "Ptgdr2" "PD2R2_MOUSE" 6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1909" "AGONIST" "Mus musculus" +"indoprofen" 1442 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 5.9 "Ki" "Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP high binding affinity site expressed in Escherichia coli BL21 by competitive fluorescence displacement assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15870" "Rattus norvegicus" +"indoramin" 1443 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.7447 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"indoramin" 1443 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 7.61 "Ki" "Affinity for alpha-1 adrenoceptor of rat cerebral cortex was determined by ligand binding using [3H]prazosin." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL279516" "Rattus norvegicus" +"indoramin" 1443 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.65 "Ki" "The compound was tested for binding affinity against Alpha-2A adrenergic receptor from human clones." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL279516" "Tclin" "Homo sapiens" +"indoramin" 1443 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 4.92 "Ki" "Affinity for alpha-2 adrenergic receptor of rat cerebral cortex was determined by ligand binding using [3H]yohimbine." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL279516" "Rattus norvegicus" +"indoramin" 1443 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 7.92 "Ki" "The compound was tested for binding affinity against Alpha-1A adrenergic receptor from bovine clones." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL279516" "Bos taurus" +"indoramin" 1443 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.96 "Ki" "Binding affinity against Alpha-1D adrenergic receptor, from human clones." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL279516" "Tclin" "Homo sapiens" +"indoramin" 1443 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.43 "Ki" "The compound was tested for binding affinity against Alpha-1A adrenergic receptor from human clones." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL279516" "Tclin" "Homo sapiens" +"indoramin" 1443 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.6 "Ki" "The compound was tested for binding affinity against Alpha-1B adrenergic receptor, from hamster clones." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL279516" "Tclin" "Homo sapiens" +"indoramin" 1443 "Alpha-1D adrenergic receptor" "GPCR" "P23944" "Adra1d" "ADA1D_RAT" 6.21 "Ki" "Binding affinity against Alpha-1D adrenergic receptor, from rat clones." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL279516" "Rattus norvegicus" +"indoramin" 1443 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.28 "Ki" "Binding affinity against Alpha-2B adrenergic receptor from human clones." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL279516" "Tclin" "Homo sapiens" +"indoramin" 1443 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.32 "Ki" "Binding affinity against Alpha-2C adrenergic receptor from human clones." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL279516" "Tclin" "Homo sapiens" +"intoplicine" 1446 "DNA topoisomerase I, mitochondrial" "Enzyme" "Q969P6" "TOP1MT" "TOP1M_HUMAN" 6.52 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"intoplicine" 1446 "DNA topoisomerase 2-alpha" "Enzyme" "P11388" "TOP2A" "TOP2A_HUMAN" 5.82 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"intoplicine" 1446 "DNA topoisomerase 1" "Enzyme" "P11387" "TOP1" "TOP1_HUMAN" 6.52 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"diiodohydroxyquinoline" 1457 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 6.278189385 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"diiodohydroxyquinoline" 1457 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.723768042 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diiodohydroxyquinoline" 1457 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 5.608888386 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diiodohydroxyquinoline" 1457 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.803823815 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diiodohydroxyquinoline" 1457 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.06666459 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"diiodohydroxyquinoline" 1457 "Mitogen-activated protein kinase 3" "Kinase" "P27361" "MAPK3" "MK03_HUMAN" 5.278684119 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"diiodohydroxyquinoline" 1457 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 6.438898616 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"diiodohydroxyquinoline" 1457 "Angiotensin-converting enzyme" "Enzyme" "P12822" "ACE" "ACE_RABIT" 6.042871802 "IC50" "DRUGMATRIX: Peptidase, Angiotensin Converting Enzyme enzyme inhibition (substrate: FAPGG)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" +"diiodohydroxyquinoline" 1457 "Mitogen-activated protein kinase 1" "Kinase" "P28482" "MAPK1" "MK01_HUMAN" 6.53165267 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"diiodohydroxyquinoline" 1457 "Catechol O-methyltransferase" "Enzyme" "P22734" "Comt" "COMT_RAT" 5.25 "IC50" "Inhibition of Sprague-Dawley rat liver COMT after 10 mins using 0.05 uCi [14CH3]-SAM as substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL86754" "Rattus norvegicus" +"ipratropium" 1475 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 9.2924 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1464005" "ANTAGONIST" "Tclin" "Homo sapiens" +"ipratropium" 1475 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.8239 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"ipratropium" 1475 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 8.7696 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ipratropium" 1475 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 9.1805 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ipratropium" 1475 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 8.8239 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ipratropium" 1475 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 9.3098 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ipratropium" 1475 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 9.54 "Ki" "Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1464005" "Rattus norvegicus" +"ipratropium" 1475 "Muscarinic acetylcholine receptor M3" "GPCR" "P08483" "Chrm3" "ACM3_RAT" 9.74 "Ki" "Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1464005" "Rattus norvegicus" +"ipratropium" 1475 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 9.11 "Ki" "Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heart" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1464005" "Rattus norvegicus" +"ipriflavone" 1477 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.531017941 "IC50" "DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ipriflavone" 1477 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.603504248 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"iprindole" 1478 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.18508672714233 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"iprindole" 1478 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.92081880569458 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"iprindole" 1478 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.79048490524292 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"iprindole" 1478 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.898940645 "Ki" "PDSP" "Tclin" "Homo sapiens" +"iproniazid" 1480 "Amine oxidase [flavin-containing] A" "Enzyme" "P21396" "Maoa" "AOFA_RAT" 5.3 "IC50" "Inhibition of MAOA in Sprague-Dawley rat brain mitochondria using kynuramine substrate by fluorimetry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL92401" "Rattus norvegicus" +"iproniazid" 1480 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 5.18 "IC50" "Inhibition of human recombinant MAOA" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL92401" "http://www.ncbi.nlm.nih.gov/pubmed/1101049" "INHIBITOR" "Tclin" "Homo sapiens" +"iproniazid" 1480 "Amine oxidase [flavin-containing] B" "Enzyme" "P19643" "Maob" "AOFB_RAT" 5.12 "IC50" "Inhibition of MAOB in Sprague-Dawley rat brain mitochondria using kynuramine substrate by fluorimetry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL92401" "Rattus norvegicus" +"iproniazid" 1480 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 5.12 "IC50" "Inhibition of human recombinant MAOB" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL92401" "http://www.ncbi.nlm.nih.gov/pubmed/1101049" "INHIBITOR" "Tclin" "Homo sapiens" +"irbesartan" 1481 "Sodium/bile acid cotransporter" "Transporter" "Q14973" "SLC10A1" "NTCP_HUMAN" 4.92 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=589" "INHIBITOR" "Tchem" "Homo sapiens" +"irbesartan" 1481 "Angiotensin II receptor" "GPCR" "P25095|P29089|P35351" "Agtr1|Agtr1b|Agtr2" "AGTR2_RAT|AGTRA_RAT|AGTRB_RAT" 8.89 "IC50" "Inhibition of [125I]-AII binding to Angiotensin II receptor of rat uterine membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1513" "Rattus norvegicus" +"irbesartan" 1481 "Type-1 angiotensin II receptor" "GPCR" "P30556" "AGTR1" "AGTR1_HUMAN" 9.1 "Ki" "Inhibitory concentration against angiotensin II receptor, type 1" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1513" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1513" "ANTAGONIST" "Tclin" "Homo sapiens" +"irbesartan" 1481 "Type-1B angiotensin II receptor" "GPCR" "P29089" "Agtr1b" "AGTRB_RAT" 9.1 "Ki" "Compound was evaluated for its binding affinity towards rat Angiotensin II receptor, type 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1513" "Rattus norvegicus" +"irbesartan" 1481 "Endothelin-1 receptor" "GPCR" "P25101" "EDNRA" "EDNRA_HUMAN" 5 "Ki" "Binding affinity to ETA receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1513" "Tclin" "Homo sapiens" +"irbesartan" 1481 "Angiotensin II receptor (AT-1) type-1" "GPCR" "P25095|P29089" "Agtr1|Agtr1b" "AGTRA_RAT|AGTRB_RAT" 8.89 "IC50" "Binding affinity towards Angiotensin II receptor, type 1 in rat liver membrane using [125I]-angiotensin II (0.1 nM)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1513" "Rattus norvegicus" +"irinotecan" 1482 "DNA topoisomerase 1" "Enzyme" "P11387" "TOP1" "TOP1_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00762" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL481" "INHIBITOR" "Tclin" "Homo sapiens" +"irinotecan" 1482 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.663540266 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"irinotecan" 1482 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.336299075 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"irinotecan" 1482 "Interstitial collagenase" "Enzyme" "P03956" "MMP1" "MMP1_HUMAN" 5.217527376 "IC50" "DRUGMATRIX: Peptidase, Matrix Metalloproteinase-1 (MMP-1) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"irinotecan" 1482 "Multidrug resistance-associated protein 4" "Transporter" "O15439" "ABCC4" "MRP4_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"irinotecan" 1482 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"irinotecan" 1482 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"irinotecan" 1482 "Canalicular multispecific organic anion transporter 1" "Transporter" "Q92887" "ABCC2" "MRP2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"irinotecan" 1482 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"irinotecan" 1482 "Solute carrier family 22 member 3" "Transporter" "O75751" "SLC22A3" "S22A3_HUMAN" 4.13 "IC50" "Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL481" "Tchem" "Homo sapiens" +"irinotecan" 1482 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.68 "IC50" "Inhibition of human OCT1-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL481" "Tchem" "Homo sapiens" +"irinotecan" 1482 "Acetylcholinesterase" "Enzyme" "P04058" "ache" "ACES_TORCA" 7.58 "Ki" "Inhibition of Torpedo californica AChE" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL481" "Torpedo californica" +"irinotecan" 1482 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.57 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL481" "Tchem" "Homo sapiens" +"irinotecan" 1482 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 7.3 "Ki" "Inhibition of human AChE" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL481" "Tclin" "Homo sapiens" +"irinotecan" 1482 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 5.1 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells up to 500 uM after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL481" "Tchem" "Homo sapiens" +"irinotecan" 1482 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.68 "IC50" "Inhibition of human MATE1-mediated [14]-metformin uptake expressed in HEK293 cells after 1.5 mins by scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL481" "Tchem" "Homo sapiens" +"irofulven" 1483 "Serine/threonine-protein kinase Chk2" "Kinase" "O96017" "CHEK2" "CHK2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"isepamicin" 1486 "Macrolide 2'-phosphotransferase II; Macrolide 2'-phosphotransferase II protein MphB; Macrolide 2-phosphotransferase, mph(B)" "Enzyme" "O32553" "mphB" "O32553_ECOLX" 4.8697 "Km" "WOMBAT-PK" "=" "Escherichia coli" +"isocarboxazid" 1490 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB01247" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201168" "INHIBITOR" "Tclin" "Homo sapiens" +"isocarboxazid" 1490 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB01247" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201168" "INHIBITOR" "Tclin" "Homo sapiens" +"isoetarine" 1491 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6 "Kd" "Binding affinity to beta-2 adrenergic receptor (unknown origin) at 1 to 10000 nM" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200920" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200920" "AGONIST" "Tclin" "Homo sapiens" +"isoflurane" 1493 "Glycine receptor (alpha-1/beta)" "Ion channel" "P23415|P48167" "GLRA1|GLRB" "GLRA1_HUMAN|GLRB_HUMAN" "Mechanism of Action; CHEMBL2363052; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1256" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1256" "POSITIVE MODULATOR" "Tclin|Tclin" "Homo sapiens" +"isoflurane" 1493 "GABA-A receptor; anion channel" "Ion channel" "O00591|O14764|P14867|P18505|P18507|P28472|P31644|P34903|P47869|P47870|P48169|P78334|Q16445|Q8N1C3|Q99928|Q9UN88" "GABRA1|GABRA2|GABRA3|GABRA4|GABRA5|GABRA6|GABRB1|GABRB2|GABRB3|GABRD|GABRE|GABRG1|GABRG2|GABRG3|GABRP|GABRQ" "GBRA1_HUMAN|GBRA2_HUMAN|GBRA3_HUMAN|GBRA4_HUMAN|GBRA5_HUMAN|GBRA6_HUMAN|GBRB1_HUMAN|GBRB2_HUMAN|GBRB3_HUMAN|GBRD_HUMAN|GBRE_HUMAN|GBRG1_HUMAN|GBRG2_HUMAN|GBRG3_HUMAN|GBRP_HUMAN|GBRT_HUMAN" "Mechanism of Action; CHEMBL2093872; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1256" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1256" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"isoflurane" 1493 "Potassium channel subfamily K member 10" "Ion channel" "P57789" "KCNK10" "KCNKA_HUMAN" "Mechanism of Action; CHEMBL2331041; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1256" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1256" "OPENER" "Tclin" "Homo sapiens" +"isoflurane" 1493 "Potassium channel subfamily K member 18" "Ion channel" "Q7Z418" "KCNK18" "KCNKI_HUMAN" "Mechanism of Action; CHEMBL2331042; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1256" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1256" "OPENER" "Tclin" "Homo sapiens" +"isoflurane" 1493 "Potassium channel subfamily K member 3" "Ion channel" "O14649" "KCNK3" "KCNK3_HUMAN" "Mechanism of Action; CHEMBL2321613; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1256" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1256" "OPENER" "Tclin" "Homo sapiens" +"isoflurane" 1493 "Potassium channel subfamily K member 9" "Ion channel" "Q9NPC2" "KCNK9" "KCNK9_HUMAN" "Mechanism of Action; CHEMBL2321614; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1256" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1256" "OPENER" "Tclin" "Homo sapiens" +"isoflurane" 1493 "Potassium channel subfamily K member 2" "Ion channel" "O95069" "KCNK2" "KCNK2_HUMAN" "Mechanism of Action; CHEMBL2321615; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1256" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1256" "OPENER" "Tclin" "Homo sapiens" +"isoflurane" 1493 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.109020403 "Ki" "PDSP" "Tclin" "Homo sapiens" +"fluostigmine" 1494 "Lysosomal protective protein" "Enzyme" "P10619" "CTSA" "PPGB_HUMAN" 5 "IC50" "Inhibition of recombinant CatA using [14C]GS-7340 substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1025" "Tchem" "Homo sapiens" +"fluostigmine" 1494 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 5.22 "Ki" "Inhibition of human AChE assessed as equilibrium binding by modified Ellman's spectrophotometric method" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1025" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1025" "INHIBITOR" "Tclin" "Homo sapiens" +"fluostigmine" 1494 "Acetylcholinesterase" "Enzyme" "P04058" "ache" "ACES_TORCA" 4.15 "Kd" "Inhibition of Torpedo californica AChE" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1025" "Torpedo californica" +"fluostigmine" 1494 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 6.32 "IC50" "In vitro inhibitory activity against acetylcholinesterase from electric eel" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1025" "Electrophorus electricus" +"fluostigmine" 1494 "Liver carboxylesterase" "Enzyme" "Q29550" "EST1_PIG" 7.3 "IC50" "Inhibition of porcine liver carboxylesterase using [14C]GS-7340 substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1025" "Sus scrofa" +"fluostigmine" 1494 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.769551079 "Ki" "PDSP" "Tclin" "Homo sapiens" +"isoniazid" 1497 "Catalase-peroxidase" "Enzyme" "P9WIE4" "katG" "KATG_MYCTO" "WOMBAT-PK" "Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)" +"isoniazid" 1497 "Enoyl-[acyl-carrier-protein] reductase [NADH]" "Enzyme" "P9WGR1" "inhA" "INHA_MYCTU" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL64" "INHIBITOR" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"isoniazid" 1497 "Dihydrofolate reductase" "Enzyme" "P9WNX1" "folA" "DYR_MYCTU" 9 "Ki" "Inhibition of Mycobacterium tuberculosis dihydrofolate reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL64" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"isoniazid" 1497 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.31 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"isoniazid" 1497 "Cytochrome P450 3A5" "Enzyme" "P20815" "CYP3A5" "CP3A5_HUMAN" 4.96 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"isoprenaline" 1499 "Beta-3 adrenergic receptor" "Unclassified" "P25962" "Adrb3" "ADRB3_MOUSE" 5.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=536" "AGONIST" "Mus musculus" +"isoprenaline" 1499 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 8.5 "EC50" "WOMBAT-PK" "=" "AGONIST" "Tclin" "Homo sapiens" +"isoprenaline" 1499 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.752026734 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" +"isoprenaline" 1499 "Beta-2 adrenergic receptor" "GPCR" "P04274" "ADRB2" "ADRB2_MESAU" 6.87 "Ki" "Displacement of [125I](-)-iodopindolol from adrenergic beta2 receptor in Syrian hamster DDT1 MF2 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL434" "Mesocricetus auratus" +"isoprenaline" 1499 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 9.8 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL434" "AGONIST" "Tclin" "Homo sapiens" +"isoprenaline" 1499 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 9 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL434" "AGONIST" "Tclin" "Homo sapiens" +"isoprenaline" 1499 "Beta-1 adrenergic receptor" "GPCR" "P18090" "Adrb1" "ADRB1_RAT" 6.22 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL434" "Rattus norvegicus" +"isoprenaline" 1499 "Beta-2 adrenergic receptor" "GPCR" "P54833" "ADRB2" "ADRB2_CANFA" 6 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL434" "Canis familiaris" +"isoprenaline" 1499 "Beta-2 adrenergic receptor" "GPCR" "Q28044" "ADRB2" "ADRB2_BOVIN" 6.48 "Kd" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL434" "Bos taurus" +"isoprenaline" 1499 "Beta-2 adrenergic receptor" "GPCR" "Q8K4Z4" "Adrb2" "ADRB2_CAVPO" 7.54 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL434" "Cavia porcellus" +"isoprenaline" 1499 "Beta-3 adrenergic receptor" "Unclassified" "P26255" "Adrb3" "ADRB3_RAT" 5.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=536" "AGONIST" "Rattus norvegicus" +"isopropamide" 1500 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" "Mechanism of Action; CHEMBL245; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200347" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200347" "ANTAGONIST" "Tclin" "Homo sapiens" +"isopropamide" 1500 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "Mechanism of Action; CHEMBL216; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200347" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200347" "ANTAGONIST" "Tclin" "Homo sapiens" +"isosorbide dinitrate" 1505 "Soluble guanylate cyclase" "Enzyme" "O75343|P33402|Q02108|Q02153" "GUCY1A2|GUCY1A3|GUCY1B2|GUCY1B3" "GCYA2_HUMAN|GCYA3_HUMAN|GCYB1_HUMAN|GCYB2_HUMAN" "Mechanism of Action; CHEMBL2111348; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6622" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6622" "ACTIVATOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"isosorbide dinitrate" 1505 "Atrial natriuretic peptide receptor 1" "Enzyme" "P16066" "NPR1" "ANPRA_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"isosorbide mononitrate" 1506 "Soluble guanylate cyclase" "Enzyme" "O75343|P33402|Q02108|Q02153" "GUCY1A2|GUCY1A3|GUCY1B2|GUCY1B3" "GCYA2_HUMAN|GCYA3_HUMAN|GCYB1_HUMAN|GCYB2_HUMAN" "Mechanism of Action; CHEMBL2111348; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1311" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1311" "ACTIVATOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"isosorbide mononitrate" 1506 "Atrial natriuretic peptide receptor 1" "Enzyme" "P16066" "NPR1" "ANPRA_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"isotretinoin" 1508 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.26760624 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"isotretinoin" 1508 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.520136887 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"isotretinoin" 1508 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.627640417 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"isotretinoin" 1508 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 5.597051171 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"isotretinoin" 1508 "Mitogen-activated protein kinase 1" "Kinase" "P28482" "MAPK1" "MK01_HUMAN" 6.335358024 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"isotretinoin" 1508 "Cellular retinoic acid-binding protein 1" "Cytosolic other" "P40220" "CRABP1" "RABP1_CHICK" 6.05 "IC50" "Tested for its ability to inhibit the binding of (all-E-)-RA to cytoplasmic retinoic acid-binding protein (CRABP) from chick skin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL547" "Gallus gallus" +"isotretinoin" 1508 "Retinoic acid receptor beta" "Nuclear hormone receptor" "P10826" "RARB" "RARB_HUMAN" "Mechanism of Action; CHEMBL2008; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL547" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL547" "INHIBITOR" "Tclin" "Homo sapiens" +"isotretinoin" 1508 "17-beta-hydroxysteroid dehydrogenase type 6" "Enzyme" "O14756" "HSD17B6" "H17B6_HUMAN" 5.398 "Ki" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"isotretinoin" 1508 "11-cis retinol dehydrogenase" "Enzyme" "Q92781" "RDH5" "RDH1_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"isotretinoin" 1508 "Dehydrogenase/reductase SDR family member 9" "Enzyme" "Q9BPW9" "DHRS9" "DHRS9_HUMAN" 4.523 "Ki" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"isotretinoin" 1508 "Alcohol dehydrogenase 4" "Enzyme" "P08319" "ADH4" "ADH4_HUMAN" 5.523 "Ki" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"isotretinoin" 1508 "Retinoic acid receptor alpha" "Nuclear hormone receptor" "P10276" "RARA" "RARA_HUMAN" 8.2291 "ED50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"isoxicam" 1509 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.1 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"isoxicam" 1509 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 5.2 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"isradipine" 1511 "Voltage-dependent L-type calcium channel subunit alpha-1D" "Ion channel" "Q01668" "CACNA1D" "CAC1D_HUMAN" 9.3 "IC50" "Recombinant Cav1.3 calcium channel complexes expressed in tsA201-cells" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4488" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1648" "GATING INHIBITOR" "Tclin" "Homo sapiens" +"isradipine" 1511 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1648" "BLOCKER" "Tclin" "Homo sapiens" +"isradipine" 1511 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"isradipine" 1511 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 5.50863 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"isradipine" 1511 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"isradipine" 1511 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "P15381" "CACNA1C" "CAC1C_RABIT" 6.97 "IC50" "Antagonist activity at rabbit voltage-dependent L-type calcium channel Cav1.2alpha-1C expressed in HEK293 cells by FLIPR assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1648" "Oryctolagus cuniculus" +"isradipine" 1511 "Voltage-dependent L-type calcium channel subunit alpha-1D" "Ion channel" "P27732" "Cacna1d" "CAC1D_RAT" 6.66 "IC50" "Antagonist activity at rat voltage-dependent L-type calcium channel Cav1.3alpha-1D expressed in HEK293 cells by FLIPR assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1648" "Rattus norvegicus" +"isradipine" 1511 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q01815" "Cacna1c" "CAC1C_MOUSE" 7.5 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4488" "GATING INHIBITOR" "Mus musculus" +"isradipine" 1511 "Voltage-dependent L-type calcium channel subunit alpha-1F" "Unclassified" "Q9JIS7" "Cacna1f" "CAC1F_MOUSE" 6.7 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4488" "GATING INHIBITOR" "Mus musculus" +"itraconazole" 1513 "Lanosterol 14-alpha demethylase" "Enzyme" "P10613" "ERG11" "CP51_CANAL" 9.2465 "MIC" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1711" "INHIBITOR" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"itraconazole" 1513 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6.045757491 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"itraconazole" 1513 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.410050399 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"itraconazole" 1513 "Cruzipain" "Enzyme" "P25779" "CYSP_TRYCR" 5.52 "IC50" "Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in absence of Triton X-100" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1711" "Trypanosoma cruzi" +"itraconazole" 1513 "Vasopressin V2 receptor" "GPCR" "P30518" "AVPR2" "V2R_HUMAN" 6.1 "IC50" "Inhibition of vasopressin-stimulated vasopressin V2 receptor in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1711" "Tclin" "Homo sapiens" +"itraconazole" 1513 "Lanosterol 14-alpha demethylase" "Enzyme" "Q16850" "CYP51A1" "CP51A_HUMAN" 5.44 "IC50" "Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1711" "Tchem" "Homo sapiens" +"itraconazole" 1513 "14-alpha sterol demethylase" "Enzyme" "Q96W81" "cyp51B" "Q96W81_ASPFM" 7.51 "Kd" "Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme B expressed in Escherichia coli assessed as tight binding affinity constant" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1711" "Neosartorya fumigata" +"itraconazole" 1513 "14-alpha sterol demethylase Cyp51A" "Enzyme" "Q4WNT5" "Q4WNT5_ASPFU" 6 "Kd" "Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme A expressed in Escherichia coli" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1711" "Neosartorya fumigata (strain ATCC MYA-4609 / Af293 / CBS 101355 / FGSC A1100)" +"itraconazole" 1513 "C-C chemokine receptor type 4" "GPCR" "P51679" "CCR4" "CCR4_HUMAN" 6.7 "IC50" "Inverse agonist activity at CCR4 in human HTLA cells assessed as depression of basal activity incubated for 20 mins by beta arrestin-recruitment mediated luciferase reporter gene assay in absence of CCL22" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1711" "Tclin" "Homo sapiens" +"itraconazole" 1513 "C-X-C chemokine receptor type 1" "GPCR" "P25024" "CXCR1" "CXCR1_HUMAN" 7 "IC50" "Inhibition of CX3CL1-stimulated CX3CR1 in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1711" "Tchem" "Homo sapiens" +"itraconazole" 1513 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.3 "Ki" "Displacement of [3H]-DHA from recombinant human beta2 adrenoceptor expressed in HEK293T cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1711" "Tclin" "Homo sapiens" +"ixabepilone" 1517 "Tubulin beta" "Tumour-associated antigen" "P04350|P07437|P68371|Q13509|Q13885|Q3ZCM7|Q9BUF5|Q9BVA1|Q9H4B7" "TUBB|TUBB1|TUBB2A|TUBB2B|TUBB3|TUBB4A|TUBB4B|TUBB6|TUBB8" "TBB1_HUMAN|TBB2A_HUMAN|TBB2B_HUMAN|TBB3_HUMAN|TBB4A_HUMAN|TBB4B_HUMAN|TBB5_HUMAN|TBB6_HUMAN|TBB8_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/19010832" "http://www.ncbi.nlm.nih.gov/pubmed/19010832" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"kanamycin" 1519 "Macrolide 2'-phosphotransferase II; Macrolide 2'-phosphotransferase II protein MphB; Macrolide 2-phosphotransferase, mph(B)" "Enzyme" "O32553" "mphB" "O32553_ECOLX" 5.6778 "Km" "WOMBAT-PK" "=" "Escherichia coli" +"kanamycin" 1519 "3-oxoacyl-[acyl-carrier-protein] synthase 3" "Unclassified" "P0A6R0" "fabH" "FABH_ECOLI" 5.17 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1384" "Escherichia coli (strain K12)" +"bekanamycin" 1520 "3-oxoacyl-[acyl-carrier-protein] synthase 3" "Enzyme" "C3TDZ2" "fabH" "C3TDZ2_ECOLX" 5.2 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL176" "Escherichia coli" +"ketamine" 1523 "Glutamate NMDA receptor" "Ion channel" "P35439|Q00959|Q00960|Q00961|Q62645|Q8VHN2|Q9R1M7" "Grin1|Grin2a|Grin2b|Grin2c|Grin2d|Grin3a|Grin3b" "NMD3A_RAT|NMD3B_RAT|NMDE1_RAT|NMDE2_RAT|NMDE3_RAT|NMDE4_RAT|NMDZ1_RAT" 6.21 "IC50" "Inhibition of [3H]-MK-801 binding to NMDA receptor from rat cerebral cortical synaptic membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL742" "Rattus norvegicus" +"ketamine" 1523 "Acetylcholine receptor subunit alpha" "Ion channel" "P02710" "CHRNA1" "ACHA_TORCA" 5.31 "IC50" "Displacement of [3H]PCP from nAChR in Torpedo nobiliana electric organs membranes in presence of 100 uM carbachol by scintillation counting method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL742" "Torpedo californica" +"ketamine" 1523 "Glutamate [NMDA] receptor" "Ion channel" "O15399|O60391|Q05586|Q12879|Q13224|Q14957|Q8TCU5" "GRIN1|GRIN2A|GRIN2B|GRIN2C|GRIN2D|GRIN3A|GRIN3B" "NMD3A_HUMAN|NMD3B_HUMAN|NMDE1_HUMAN|NMDE2_HUMAN|NMDE3_HUMAN|NMDE4_HUMAN|NMDZ1_HUMAN" 6.38000011444092 "Ki" "The compound was tested for its ability to block PCP N-methyl-D-aspartate glutamate receptor at the PCP (phencyclidine) binding site in postmortem human frontal cortex." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL742" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL742" "BLOCKER" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"ketamine" 1523 "Glutamate receptor ionotropic AMPA" "Ion channel" "P42261|P42262|P42263|P48058" "GRIA1|GRIA2|GRIA3|GRIA4" "GRIA1_HUMAN|GRIA2_HUMAN|GRIA3_HUMAN|GRIA4_HUMAN" "antidepressant action of (2R,6R)-HNK metabolite" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/27144355" "http://www.ncbi.nlm.nih.gov/pubmed/27144355" "OPENER" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"ketanserin" 1524 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 6.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=88" "ANTAGONIST" "Rattus norvegicus" +"ketanserin" 1524 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.74714660644531 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"ketanserin" 1524 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 8.90308952331543 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"ketanserin" 1524 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.70114707946777 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"ketanserin" 1524 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=88" "ANTAGONIST" "Tclin" "Homo sapiens" +"ketanserin" 1524 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 8.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=88" "ANTAGONIST" "Tclin" "Homo sapiens" +"ketanserin" 1524 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=88" "ANTAGONIST" "Tclin" "Homo sapiens" +"ketanserin" 1524 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=88" "ANTAGONIST" "Tclin" "Homo sapiens" +"ketanserin" 1524 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 5.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=88" "ANTAGONIST" "Tchem" "Homo sapiens" +"ketanserin" 1524 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 4.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=88" "ANTAGONIST" "Tchem" "Homo sapiens" +"ketanserin" 1524 "Synaptic vesicular amine transporter" "Transporter" "Q05940" "SLC18A2" "VMAT2_HUMAN" 6.1549 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ketanserin" 1524 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.97 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ketanserin" 1524 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" "Ki" "WOMBAT-PK" "Tclin" "Homo sapiens" +"ketanserin" 1524 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 8.57 "IC50" "Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL51" "Tchem" "Homo sapiens" +"ketanserin" 1524 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 7.82 "IC50" "Inhibition of [3H]prazosin binding to alpha-1 adrenergic receptor from rat cortical membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL51" "Rattus norvegicus" +"ketanserin" 1524 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2a|Htr2b|Htr2c" "5HT2A_RAT|5HT2B_RAT|5HT2C_RAT" 9.4 "Ki" "Evaluated for the binding affinity to rat cortical membranes at 5-hydroxytryptamine 2 receptor binding site by using [3H]- KET as a radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL51" "Rattus norvegicus" +"ketanserin" 1524 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.55 "Ki" "Binding affinity towards human 5-hydroxytryptamine 6 receptor was evaluated using [3H]-LSD as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL51" "Tchem" "Homo sapiens" +"ketanserin" 1524 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.62 "Ki" "Binding affinity for Dopamine receptor D2 by displacement of [3H]-spiperone" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL51" "Tclin" "Homo sapiens" +"ketanserin" 1524 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.46 "Ki" "Binding affinity towards human dopamine receptor D4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL51" "Tchem" "Homo sapiens" +"ketanserin" 1524 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 5.19 "IC50" "Binding affinity to human cloned 5-hydroxytryptamine 1B receptor in CHO cells by [3H]5-HT binding displacement." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL51" "Tclin" "Homo sapiens" +"ketanserin" 1524 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.7 "Ki" "GRAC: human 5-HT2A selective antagonist" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL51" "Tclin" "Homo sapiens" +"ketanserin" 1524 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 6.59 "IC50" "Binding affinity by displacement to human cloned 5-hydroxytryptamine 1D receptor in CHO cells by [3H]5-HT displacement." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL51" "Tclin" "Homo sapiens" +"ketanserin" 1524 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 9 "IC50" "The compound was tested for affinity towards sigma-3 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL51" "Tclin" "Homo sapiens" +"ketanserin" 1524 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.72 "Ki" "Binding affinity (Ki) to rat cortical membranes at 5-HT1B binding site by using [125 I] ICYP as a radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL51" "Rattus norvegicus" +"ketanserin" 1524 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.74 "Ki" "Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [125I]trans-8-OH-PIPAT in membrane homogenates of hippocampal tissue of rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL51" "Rattus norvegicus" +"ketanserin" 1524 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 6.44 "Ki" "Inhibitory constant against binding of [125I]- IBZM to rat striatal membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL51" "Rattus norvegicus" +"ketanserin" 1524 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 7.3 "Ki" "Binding affinity against 5-hydroxytryptamine 1C receptor in rat using [3H]mesulergine as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL51" "Rattus norvegicus" +"ketanserin" 1524 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 9.33 "Ki" "Displacement of [3H]ketanserin from 5-HT2A receptor in Sprague-Dawley rat frontal cortex after 15 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL51" "Rattus norvegicus" +"ketanserin" 1524 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=88" "ANTAGONIST" "Tclin" "Homo sapiens" +"ketanserin" 1524 "Chromaffin granule amine transporter" "Transporter" "P54219" "SLC18A1" "VMAT1_HUMAN" 5.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=88" "INHIBITOR" "Tchem" "Homo sapiens" +"ketanserin" 1524 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 6.5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=88" "ANTAGONIST" "Tclin" "Homo sapiens" +"ketanserin" 1524 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=88" "ANTAGONIST" "Tclin" "Homo sapiens" +"ketanserin" 1524 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=88" "ANTAGONIST" "Tclin" "Homo sapiens" +"ketanserin" 1524 "5-hydroxytryptamine receptor 1B" "Unclassified" "P28334" "Htr1b" "5HT1B_MOUSE" 8.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=88" "ANTAGONIST" "Mus musculus" +"ketanserin" 1524 "5-hydroxytryptamine receptor 7" "GPCR" "P32304" "Htr7" "5HT7R_MOUSE" 6.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=88" "ANTAGONIST" "Mus musculus" +"ketobemidone" 1526 "Opioid receptor" "GPCR" "O55242|P32300|P33534|P42866" "Oprd1|Oprk1|Oprm1|Sigmar1" "OPRD_MOUSE|OPRK_MOUSE|OPRM_MOUSE|SGMR1_MOUSE" 5.15 "IC50" "Tested for displacement of radioligand [3H]-Naloxone from opiate receptor; value ranges from 7-10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL47072" "Mus musculus" +"ketobemidone" 1526 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprk1|Oprm1|Sigmar1" "OPRD_RAT|OPRK_RAT|OPRM_RAT|SGMR1_RAT" 8.7 "EC50" "Displacement of radiolabeled dihydromorphine from opioid receptor in rat brain homogenates" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL47072" "Rattus norvegicus" +"ketobemidone" 1526 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 6.844664 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ketobemidone" 1526 "Glutamate receptor ionotropic, NMDA 3A" "Ion channel" "Q8TCU5" "GRIN3A" "NMD3A_HUMAN" 4.585 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ketobemidone" 1526 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 6.222573 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ketobemidone" 1526 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 9 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ketoconazole" 1527 "Lanosterol 14-alpha demethylase" "Enzyme" "P10613" "ERG11" "CP51_CANAL" 7 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL157101" "INHIBITOR" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"ketoconazole" 1527 "Potassium voltage-gated channel subfamily A member 10" "Ion channel" "Q16322" "KCNA10" "KCA10_HUMAN" 6.3 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2568" "BLOCKER" "Tclin" "Homo sapiens" +"ketoconazole" 1527 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.129654629 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ketoconazole" 1527 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.549750892 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ketoconazole" 1527 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 4.619734475 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ketoconazole" 1527 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.084125497 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ketoconazole" 1527 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 4.667420165 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ketoconazole" 1527 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.028353118 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ketoconazole" 1527 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 4.728506898 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ketoconazole" 1527 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 4.839771643 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ketoconazole" 1527 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.345727173 "Ki" "DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ketoconazole" 1527 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.664542099 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"ketoconazole" 1527 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.240483241 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"ketoconazole" 1527 "Sodium/nucleoside cotransporter 1" "Transporter" "O00337" "SLC28A1" "S28A1_HUMAN" 5.821023053 "Ki" "DRUGMATRIX: Sodium/nucleoside co-transporter radioligand binding (ligand: nitrobenzylthioinosine)" "DRUG MATRIX" "=" "Tbio" "Homo sapiens" +"ketoconazole" 1527 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.265600257 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" +"ketoconazole" 1527 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 4.896778008 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"ketoconazole" 1527 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.210842508 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"ketoconazole" 1527 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 5.009084245 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"ketoconazole" 1527 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 5.4559 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"ketoconazole" 1527 "Lanosterol 14-alpha demethylase" "Enzyme" "Q16850" "CYP51A1" "CP51A_HUMAN" 7.1972 "app Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"ketoconazole" 1527 "1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial" "Enzyme" "Q07973" "CYP24A1" "CP24A_HUMAN" 6.5058 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"ketoconazole" 1527 "Steroid 17-alpha-hydroxylase/17,20 lyase" "Enzyme" "P05093" "CYP17A1" "CP17A_HUMAN" 7.28 "IC50" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/003906/WC500181492.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"ketoconazole" 1527 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"ketoconazole" 1527 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 6 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"ketoconazole" 1527 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ketoconazole" 1527 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.72 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ketoconazole" 1527 "Cytochrome P450 11B1, mitochondrial" "Enzyme" "P15538" "CYP11B1" "C11B1_HUMAN" 6.89619636535645 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/18672868" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/003906/WC500181492.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"ketoconazole" 1527 "Cytochrome P450 11B2, mitochondrial" "Enzyme" "P19099" "CYP11B2" "C11B2_HUMAN" 7.17392539978027 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/18672868" "INHIBITOR" "Tchem" "Homo sapiens" +"ketoconazole" 1527 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 6.4 "Ki" "Inhibition of human recombinant aromatase assessed as conversion of O-dibenzylfluorescein benzyl ester substrate to fluorescein byproduct by fluorometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL157101" "Tclin" "Homo sapiens" +"ketoconazole" 1527 "Cytochrome P450 11A1" "Enzyme" "P14137" "Cyp11a1" "CP11A_RAT" 5.91 "IC50" "Inhibition of cholesterol side chain cleavage cytochrome P450" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL157101" "Rattus norvegicus" +"ketoconazole" 1527 "Cytochrome P450 24A1" "Enzyme" "Q09128" "Cyp24a1" "CP24A_RAT" 4.7 "IC50" "Inhibitory activity against 25-hydroxyvitamin D3 24-hydroxylase of rat kidney mitochondria" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL157101" "Rattus norvegicus" +"ketoconazole" 1527 "Gonadotropin-releasing hormone receptor" "GPCR" "P30969" "Gnrhr" "GNRHR_RAT" 9.66 "Kd" "Dissociation constant was determined in vitro using rat pituitary membranes and [125I]-leuprolide as radioligand, at concentration 3.16*10e-6 M" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL157101" "Rattus norvegicus" +"ketoconazole" 1527 "Cytochrome P450 7A1" "Enzyme" "P18125" "Cyp7a1" "CP7A1_RAT" 6.71 "IC50" "Inhibition of cytochrome P450 Cholesterol 7-alpha-hydroxylase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL157101" "Rattus norvegicus" +"ketoconazole" 1527 "Cytochrome P450 51" "Enzyme" "Q64654" "Cyp51a1" "CP51A_RAT" 7.19 "Ki" "Inhibition of lanosterol 14-alpha-demethylase of rat hepatic microsomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL157101" "Rattus norvegicus" +"ketoconazole" 1527 "Cytochrome P450 11B1" "Unclassified" "P15150" "CYP11B1" "C11B1_BOVIN" 6.82 "IC50" "Inhibition of Corticoid 11-beta-hydroxylase cytochrome P450" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL157101" "Bos taurus" +"ketoconazole" 1527 "Cytochrome P450 21" "Enzyme" "P08686" "CYP21A2" "CP21A_HUMAN" 5.05 "IC50" "Inhibition of Progesterone 21-hydroxylase cytochrome P450 21" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL157101" "Tbio" "Homo sapiens" +"ketoconazole" 1527 "Cytochrome P450 17A1" "Enzyme" "P11715" "Cyp17a1" "CP17A_RAT" 6.69 "IC50" "Inhibition of 17,20-lyase activity of rat testicular microsomal P450-17alpha" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL157101" "Rattus norvegicus" +"ketoconazole" 1527 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P14902" "IDO1" "I23O1_HUMAN" 4.59999990463257 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL157101" "Tchem" "Homo sapiens" +"ketoconazole" 1527 "25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial" "Unclassified" "O35084" "Cyp27b1" "CP27B_MOUSE" 6.44 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL157101" "Mus musculus" +"ketoconazole" 1527 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 4.45 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL157101" "Rattus norvegicus" +"ketoprofen" 1528 "Cyclooxygenase" "Enzyme" "O62664|O62698" "PTGS1|PTGS2" "PGH1_BOVIN|PGH2_BOVIN" 5.47 "IC50" "Evaluated for the inhibition of Prostaglandin synthetase obtained from bovine seminal vesicles at the dose of 4 mg/kg p.o." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL571" "Bos taurus" +"ketoprofen" 1528 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 7.33 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL571" "INHIBITOR" "Tclin" "Homo sapiens" +"ketoprofen" 1528 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.62 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL571" "INHIBITOR" "Tclin" "Homo sapiens" +"ketoprofen" 1528 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 6.1 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL571" "Ovis aries" +"ketorolac" 1529 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 5.214029875 "IC50" "DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde)" "DRUG MATRIX" "=" "Rattus norvegicus" +"ketorolac" 1529 "Prostaglandin-H2 D-isomerase" "Enzyme" "O09114" "Ptgds" "PTGDS_MOUSE" 6.64 "IC50" "Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL469" "Mus musculus" +"ketorolac" 1529 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 4.94 "Ki" "Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP high binding affinity site expressed in Escherichia coli BL21 by competitive fluorescence displacement assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL469" "Rattus norvegicus" +"ketorolac" 1529 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 9.72 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL469" "INHIBITOR" "Tclin" "Homo sapiens" +"ketorolac" 1529 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.9 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL469" "INHIBITOR" "Tclin" "Homo sapiens" +"ketotifen" 1530 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 9.5086 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL534" "ANTAGONIST" "Tclin" "Homo sapiens" +"ketotifen" 1530 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.360513511 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ketotifen" 1530 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.086186148 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ketotifen" 1530 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.838631998 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ketotifen" 1530 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.046723663 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ketotifen" 1530 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.537602002 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ketotifen" 1530 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.075720714 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ketotifen" 1530 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.27572413 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"ketotifen" 1530 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.48945499 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ketotifen" 1530 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.175874166 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ketotifen" 1530 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.391473966 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ketotifen" 1530 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.737074531 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ketotifen" 1530 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 9.51 "Ki" "The compound was tested in vitro for binding affinity against histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL534" "Cavia porcellus" +"ketotifen" 1530 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.7304 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ketotifen" 1530 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.0749 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ketotifen" 1530 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.5771 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ketotifen" 1530 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.359 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ketotifen" 1530 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.0163 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ketotifen" 1530 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"ketotifen" 1530 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.6 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL534" "Rattus norvegicus" +"labetalol" 1531 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 8.233587153 "Ki" "DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL429" "ANTAGONIST" "Tclin" "Homo sapiens" +"labetalol" 1531 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 7.958607315 "Ki" "DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL429" "ANTAGONIST" "Tclin" "Homo sapiens" +"labetalol" 1531 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.117475462 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"labetalol" 1531 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.478077755 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"labetalol" 1531 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.647817482 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"labetalol" 1531 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.713768146 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"labetalol" 1531 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.893809103 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"labetalol" 1531 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.096910013 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"labetalol" 1531 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.638272164 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"labetalol" 1531 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.490797478 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"labetalol" 1531 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.41 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL429" "Rattus norvegicus" +"labetalol" 1531 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.24 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL429" "Rattus norvegicus" +"labetalol" 1531 "CAAX prenyl protease 1" "Unclassified" "P47154" "STE24" "STE24_YEAST" 5.11 "AC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL429" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"labetalol" 1531 "CAAX prenyl protease 2" "Unclassified" "Q03530" "RCE1" "RCE1_YEAST" 4.82 "AC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL429" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"lacidipine" 1532 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6.045757491 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"lacidipine" 1532 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.245116772 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"lacidipine" 1532 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.678608722 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"lacidipine" 1532 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.641874715 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"lacidipine" 1532 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.698970004 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"lacidipine" 1532 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 5.698970004 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"lacidipine" 1532 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.771086594 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"lacidipine" 1532 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.583026827 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"lacidipine" 1532 "Voltage-gated L-type calcium channel" "Ion channel" "Q01668|Q13936" "CACNA1C|CACNA1D" "CAC1C_HUMAN|CAC1D_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/17276408" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"lactose" 1535 "Galectin-9" "Unclassified" "O00182" "LGALS9" "LEG9_HUMAN" 4.6399998664856 "Kd" "Binding affinity to galectin 9N terminal domain at 0 degC by fluorescence polarization assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL417016" "Tchem" "Homo sapiens" +"lactose" 1535 "Galectin-8" "Unclassified" "O00214" "LGALS8" "LEG8_HUMAN" 4.21000003814697 "Kd" "Binding affinity to galectin 8N terminal domain at 20 degC by fluorescence polarization assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL417016" "Tchem" "Homo sapiens" +"lactose" 1535 "Galectin-3" "Unclassified" "P17931" "LGALS3" "LEG3_HUMAN" 4.03 "Kd" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL417016" "Homo sapiens" +"lamivudine" 1539 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" 7.38 "EC50" "In vitro antiviral activity against HIV-1 Reverse transcriptase wild type" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL141" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL141" "INHIBITOR" "Human immunodeficiency virus 1" +"lamivudine" 1539 "Protein P" "Polyprotein" "Q9IF40" "P" "Q9IF40_HBV" "Mechanism of Action; CHEMBL2362994; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL141" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL141" "INHIBITOR" "Hepatitis B virus" +"lamivudine" 1539 "Deoxycytidine kinase" "Kinase" "P27707" "DCK" "DCK_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"lamotrigine" 1540 "Sodium channel protein type 9 subunit alpha" "Ion channel" "Q15858" "SCN9A" "SCN9A_HUMAN" 4.77 "IC50" "Inhibition of human Nav1.7 expressed in SHSY5Y cells assessed as reduction in blue fluorescent signal by VSP-FRET assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL741" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL741" "BLOCKER" "Tclin" "Homo sapiens" +"lamotrigine" 1540 "Sodium channel protein type 8 subunit alpha" "Ion channel" "Q9UQD0" "SCN8A" "SCN8A_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00555" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL741" "BLOCKER" "Tclin" "Homo sapiens" +"lamotrigine" 1540 "Sodium channel protein type 3 subunit alpha" "Ion channel" "Q9NY46" "SCN3A" "SCN3A_HUMAN" 4.77 "IC50" "Inhibition of human Nav1.3 expressed in SHSY5Y cells assessed as reduction in blue fluorescent signal by VSP-FRET assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL741" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL741" "BLOCKER" "Tclin" "Homo sapiens" +"lamotrigine" 1540 "Sodium channel protein type 1 subunit alpha" "Ion channel" "P35498" "SCN1A" "SCN1A_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00555" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL741" "BLOCKER" "Tclin" "Homo sapiens" +"lamotrigine" 1540 "Sodium channel protein type 10 subunit alpha" "Ion channel" "Q9Y5Y9" "SCN10A" "SCNAA_HUMAN" 4.02 "IC50" "Inhibition of human recombinant Nav1.8 channel expressed in HEK293 cells by whole cell voltage clamp technique" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL741" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL741" "BLOCKER" "Tclin" "Homo sapiens" +"lamotrigine" 1540 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P04774|P04775|P08104" "Scn1a|Scn2a|Scn3a" "SCN1A_RAT|SCN2A_RAT|SCN3A_RAT" 4.51 "IC50" "Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL741" "Rattus norvegicus" +"lamotrigine" 1540 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" 4.21 "IC50" "Inhibition of human recombinant Nav1.5 channel expressed in HEK293 cells by whole cell voltage clamp technique" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL741" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL741" "BLOCKER" "Tclin" "Homo sapiens" +"lamotrigine" 1540 "Sodium channel protein type 4 subunit alpha" "Ion channel" "P35499" "SCN4A" "SCN4A_HUMAN" 4.77 "Ki" "Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL741" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL741" "BLOCKER" "Tclin" "Homo sapiens" +"lamotrigine" 1540 "Sodium channel protein type X alpha subunit" "Unclassified" "Q62968" "Scn10a" "SCNAA_RAT" 4.6 "IC50" "Blockade of Nav1.8 channel in rat dorsal root ganglion neurons assessed as inhibition of TTX-R current by whole cell patch clamp technique" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL741" "Rattus norvegicus" +"lamotrigine" 1540 "Sodium channel protein type 2 subunit alpha" "Ion channel" "Q99250" "SCN2A" "SCN2A_HUMAN" 5 "IC50" "Inhibition of human recombinant Nav1.2 channel expressed in HEK293 cells by whole cell voltage clamp technique" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL741" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL741" "BLOCKER" "Tclin" "Homo sapiens" +"lamotrigine" 1540 "Sodium channel protein type 2 subunit alpha" "Ion channel" "P04775" "Scn2a" "SCN2A_RAT" 4.46 "IC50" "Inhibition of rat Nav1.2 channel expressed in chinese hamster CHL1610 cells at preconditioning pulse of -67 mV after 2 to 3 mins by whole-cell patch-clamp technique" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL741" "Rattus norvegicus" +"lamotrigine" 1540 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 4.744 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"lamotrigine" 1540 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 3.839 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"landiolol" 1545 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01847" "http://www.kegg.jp/entry/D01847" "ANTAGONIST" "Tclin" "Homo sapiens" +"lanreotide" 1546 "Somatostatin receptor type 4" "GPCR" "P31391" "SSTR4" "SSR4_HUMAN" 7.180456064 "Ki" "PDSP" "Tclin" "Homo sapiens" +"lanreotide" 1546 "Somatostatin receptor type 1" "GPCR" "P30872" "SSTR1" "SSR1_HUMAN" 6.301029996 "Ki" "PDSP" "Tclin" "Homo sapiens" +"lanreotide" 1546 "Somatostatin receptor type 5" "GPCR" "P35346" "SSTR5" "SSR5_HUMAN" 9.3 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2031" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201184" "AGONIST" "Tclin" "Homo sapiens" +"lanreotide" 1546 "Somatostatin receptor type 2" "GPCR" "P30874" "SSTR2" "SSR2_HUMAN" 9.6 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2031" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201184" "AGONIST" "Tclin" "Homo sapiens" +"lanreotide" 1546 "Somatostatin receptor type 3" "GPCR" "P32745" "SSTR3" "SSR3_HUMAN" 8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2031" "AGONIST" "Tclin" "Homo sapiens" +"lanreotide" 1546 "Somatostatin receptor type 2" "Unclassified" "P30680" "Sstr2" "SSR2_RAT" 8.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2031" "AGONIST" "Rattus norvegicus" +"lanreotide" 1546 "Somatostatin receptor type 3" "GPCR" "P30935" "Sstr3" "SSR3_MOUSE" 8.2 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2031" "AGONIST" "Mus musculus" +"lanreotide" 1546 "Somatostatin receptor type 3" "Unclassified" "P30936" "Sstr3" "SSR3_RAT" 6.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2031" "AGONIST" "Rattus norvegicus" +"lanreotide" 1546 "Somatostatin receptor type 5" "GPCR" "P30938" "Sstr5" "SSR5_RAT" 7.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2031" "AGONIST" "Rattus norvegicus" +"lanreotide" 1546 "Somatostatin receptor type 2" "GPCR" "P30875" "Sstr2" "SSR2_MOUSE" 9.1 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2031" "AGONIST" "Mus musculus" +"lansoprazole" 1547 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.274513074 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"lansoprazole" 1547 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 6.472756884 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"lansoprazole" 1547 "Microtubule-associated protein tau" "Structural" "P10636" "MAPT" "TAU_HUMAN" 8.6 "Ki" "Binding affinity to heparin induced human Tau 441 at 50 pM to 500 nM after 30 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL480" "Tchem" "Homo sapiens" +"lansoprazole" 1547 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P28776" "Ido1" "I23O1_MOUSE" 4.03 "IC50" "Inhibition of mouse Ido1 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL480" "Mus musculus" +"lansoprazole" 1547 "Indoleamine 2,3-dioxygenase 2" "Enzyme" "Q8R0V5" "Ido2" "I23O2_MOUSE" 5.09 "IC50" "Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL480" "Mus musculus" +"lansoprazole" 1547 "Potassium-transporting ATPase" "Transporter" "P20648|P51164" "ATP4A|ATP4B" "ATP4A_HUMAN|ATP4B_HUMAN" "Mechanism of Action; CHEMBL2095173; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL480" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL480" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"lansoprazole" 1547 "Phosphoethanolamine/phosphocholine phosphatase" "Enzyme" "Q8TCT1" "PHOSPHO1" "PHOP1_HUMAN" 6.3600001335144 "IC50" "PUBCHEM_BIOASSAY: SAR assay for compounds that inhibit PHOSPHO1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1545, AID1565, AID1574]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL480" "Tchem" "Homo sapiens" +"lansoprazole" 1547 "Fatty acid synthase" "Enzyme" "P49327" "FASN" "FAS_HUMAN" 5.28000020980835 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL480" "Tchem" "Homo sapiens" +"lapatinib" 1548 "Solute carrier organic anion transporter family member 1B1" "Transporter" "Q9Y6L6" "SLCO1B1" "SO1B1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"lapatinib" 1548 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"lapatinib" 1548 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"lapatinib" 1548 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 4.64 "IC50" "Inhibition of ABL1 by flash plate based radioactive enzyme assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL554" "Tclin" "Homo sapiens" +"lapatinib" 1548 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 9.04 "Kd" "Binding constant for EGFR(G719C) kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL554" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL554" "INHIBITOR" "Tclin" "Homo sapiens" +"lapatinib" 1548 "Tubulin alpha-1A chain" "Structural" "P68370" "Tuba1a" "TBA1A_RAT" 7.27 "Kd" "Binding constant for ERBB4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL554" "Rattus norvegicus" +"lapatinib" 1548 "Phosphatidylinositol 4-kinase beta" "Kinase" "Q9UBF8" "PI4KB" "PI4KB_HUMAN" 6.03 "Kd" "Binding constant for PIK4CB kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL554" "Tchem" "Homo sapiens" +"lapatinib" 1548 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" 4.77 "IC50" "Inhibition of INSR by flash plate based radioactive enzyme assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL554" "AGONIST" "Tclin" "Homo sapiens" +"lapatinib" 1548 "Receptor-interacting serine/threonine-protein kinase 2" "Kinase" "O43353" "RIPK2" "RIPK2_HUMAN" 5.44 "Kd" "Binding constant for RIPK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL554" "Tchem" "Homo sapiens" +"lapatinib" 1548 "Dual specificity mitogen-activated protein kinase kinase 5" "Kinase" "Q13163" "MAP2K5" "MP2K5_HUMAN" 5.96 "Kd" "Binding constant for MEK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL554" "Tchem" "Homo sapiens" +"lapatinib" 1548 "Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit gamma" "Kinase" "O75747" "PIK3C2G" "P3C2G_HUMAN" 5.12 "Kd" "Binding constant for PIK3C2G kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL554" "Tbio" "Homo sapiens" +"lapatinib" 1548 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 5.59 "Kd" "Average Binding Constant for STK10; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL554" "Tchem" "Homo sapiens" +"lapatinib" 1548 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 8.15 "Kd" "Binding constant for ERBB2 kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL554" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL554" "INHIBITOR" "Tclin" "Homo sapiens" +"lapatinib" 1548 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 5.07 "IC50" "Inhibition of PDGFRbeta by flash plate based radioactive enzyme assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL554" "Tclin" "Homo sapiens" +"lapatinib" 1548 "Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta" "Kinase" "O00750" "PIK3C2B" "P3C2B_HUMAN" 6.17 "Kd" "Binding constant for PIK3C2B kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL554" "Tchem" "Homo sapiens" +"lapatinib" 1548 "Receptor tyrosine-protein kinase erbB-4" "Kinase" "Q15303" "ERBB4" "ERBB4_HUMAN" 7.27 "Kd" "Binding constant for ERBB4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL554" "Tclin" "Homo sapiens" +"lapatinib" 1548 "STE20-like serine/threonine-protein kinase" "Kinase" "Q9H2G2" "SLK" "SLK_HUMAN" 5.48 "Kd" "Binding constant for SLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL554" "Tchem" "Homo sapiens" +"lapatinib" 1548 "Cyclin-dependent kinase 2" "Kinase" "P24941" "CDK2" "CDK2_HUMAN" 4.96 "IC50" "Inhibition of CDK2 by flash plate based radioactive enzyme assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL554" "Tchem" "Homo sapiens" +"lapatinib" 1548 "Dual specificity mitogen-activated protein kinase kinase 7" "Kinase" "O14733" "MAP2K7" "MP2K7_HUMAN" 5.36 "Kd" "Binding constant for MKK7 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL554" "Tbio" "Homo sapiens" +"lapatinib" 1548 "Receptor tyrosine-protein kinase erbB-3" "Kinase" "P21860" "ERBB3" "ERBB3_HUMAN" 5.26 "Kd" "Binding constant for ERBB3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL554" "Tchem" "Homo sapiens" +"arginine hydrochloride" 1549 "Nitric oxide synthase, inducible" "Enzyme" "P35228" "NOS2" "NOS2_HUMAN" 5.15 "Kd" "Binding affinity to truncated iNOS construct (1-490) by spectral assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1485" "Tchem" "Homo sapiens" +"aspartic acid" 1550 "Glutamate NMDA receptor" "Ion channel" "P35439|Q00959|Q00960|Q00961|Q62645|Q8VHN2|Q9R1M7" "Grin1|Grin2a|Grin2b|Grin2c|Grin2d|Grin3a|Grin3b" "NMD3A_RAT|NMD3B_RAT|NMDE1_RAT|NMDE2_RAT|NMDE3_RAT|NMDE4_RAT|NMDZ1_RAT" 5.79 "IC50" "Compound was evaluated for the inhibition of [3H]-CGS-19,755 binding at N-methyl-D-aspartate glutamate receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL274323" "Rattus norvegicus" +"aspartic acid" 1550 "Aspartate--tRNA ligase, cytoplasmic" "Enzyme" "P14868" "DARS" "SYDC_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"aspartic acid" 1550 "Aspartyl/asparaginyl beta-hydroxylase" "Enzyme" "Q12797" "ASPH" "ASPH_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"aspartic acid" 1550 "Aspartate aminotransferase, mitochondrial" "Enzyme" "P00505" "GOT2" "AATM_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"aspartic acid" 1550 "Aminoacylase-1" "Enzyme" "Q03154" "ACY1" "ACY1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"aspartic acid" 1550 "Argininosuccinate synthase" "Enzyme" "P00966" "ASS1" "ASSY_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"aspartic acid" 1550 "Asparagine synthetase [glutamine-hydrolyzing]" "Enzyme" "P08243" "ASNS" "ASNS_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"aspartic acid" 1550 "Aspartoacylase" "Enzyme" "P45381" "ASPA" "ACY2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"aspartic acid" 1550 "Aspartate aminotransferase, cytoplasmic" "Enzyme" "P17174" "GOT1" "AATC_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"aspartic acid" 1550 "Calcium-binding mitochondrial carrier protein Aralar1" "Unclassified" "O75746" "SLC25A12" "CMC1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"aspartic acid" 1550 "Calcium-binding mitochondrial carrier protein Aralar2" "Unclassified" "Q9UJS0" "SLC25A13" "CMC2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"latanoprost" 1551 "Prostaglandin F2-alpha receptor" "GPCR" "P43088" "PTGFR" "PF2R_HUMAN" 6.3 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1050" "AGONIST" "Tclin" "Homo sapiens" +"latanoprost" 1551 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P34995" "PTGER1" "PE2R1_HUMAN" 5.756961951 "Ki" "PDSP" "Tclin" "Homo sapiens" +"latanoprost" 1551 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P43115" "PTGER3" "PE2R3_HUMAN" 5.186886246 "Ki" "PDSP" "Tclin" "Homo sapiens" +"latanoprost" 1551 "Prostaglandin F2-alpha receptor" "GPCR" "P37289" "PTGFR" "PF2R_BOVIN" 7.01 "Ki" "Displacement of [3H]PGF2 alpha from FP receptor in bovine corpus luteum membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1050" "Bos taurus" +"leflunomide" 1552 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.338092707 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"leflunomide" 1552 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.639974911 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"leflunomide" 1552 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 6.301029996 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"leflunomide" 1552 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 4.684113584 "IC50" "DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"leflunomide" 1552 "Sodium/nucleoside cotransporter 1" "Transporter" "O00337" "SLC28A1" "S28A1_HUMAN" 5.287434472 "Ki" "DRUGMATRIX: Sodium/nucleoside co-transporter radioligand binding (ligand: nitrobenzylthioinosine)" "DRUG MATRIX" "=" "Tbio" "Homo sapiens" +"leflunomide" 1552 "Dihydroorotate dehydrogenase (quinone), mitochondrial" "Enzyme" "Q63707" "Dhodh" "PYRD_RAT" 8.05 "IC50" "Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL960" "Rattus norvegicus" +"leflunomide" 1552 "Dihydroorotate dehydrogenase (quinone), mitochondrial" "Enzyme" "Q02127" "DHODH" "PYRD_HUMAN" 5 "IC50" "Immunosuppressive activity expressed as ability to inhibit human recombinant dihydroorotate dehydrogenase (DHODH)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL960" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL960" "INHIBITOR" "Tclin" "Homo sapiens" +"leflunomide" 1552 "Dihydroorotate dehydrogenase (quinone), mitochondrial" "Enzyme" "O35435" "Dhodh" "PYRD_MOUSE" 7.52 "IC50" "Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL960" "Mus musculus" +"letrozole" 1556 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 8.22 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1444" "INHIBITOR" "Tclin" "Homo sapiens" +"letrozole" 1556 "Cytochrome P450 11B1, mitochondrial" "Enzyme" "P15538" "CYP11B1" "C11B1_HUMAN" 5.58 "IC50" "Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1444" "Tclin" "Homo sapiens" +"letrozole" 1556 "Cytochrome P450 11B2, mitochondrial" "Enzyme" "P19099" "CYP11B2" "C11B2_HUMAN" 5.85 "IC50" "Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1444" "Tchem" "Homo sapiens" +"leuprorelin" 1559 "Gonadotropin-releasing hormone receptor" "GPCR" "P30968" "GNRHR" "GNRHR_HUMAN" 9.5229 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200775" "AGONIST" "Tclin" "Homo sapiens" +"leuprorelin" 1559 "Gonadotropin-releasing hormone receptor" "GPCR" "P30969" "Gnrhr" "GNRHR_RAT" 9.3 "IC50" "The compound was tested for the concentration to inhibit 50% of [125 I]leuprorelin binding to Leutinizing releasing hormone receptor in the membrane fractions of the rat pituitary" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200775" "Rattus norvegicus" +"levallorphan" 1560 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 9.32 "Ki" "Displacement of [125I]-IBOxyA from MOR-1 expressed in CHO cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1254682" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1254682" "ANTAGONIST" "Tclin" "Homo sapiens" +"levallorphan" 1560 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 4.92 "Ki" "Inhibition of electric eel AChE by Ellman's method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1254682" "Electrophorus electricus" +"levallorphan" 1560 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 9.2 "IC50" "Displacement of [3H]-dihydromorphine from mu opioid receptor in rat cerebral cortex by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1254682" "Rattus norvegicus" +"levallorphan" 1560 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprk1|Oprm1|Sigmar1" "OPRD_RAT|OPRK_RAT|OPRM_RAT|SGMR1_RAT" 9.27 "IC50" "Inhibition of [3H]naloxone binding to opioid receptor in presence of NaCl" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1254682" "Rattus norvegicus" +"levamisole" 1561 "Acetylcholine receptor subunit alpha-type unc-63" "Ion channel" "Q9N587" "unc-63" "ACH6_CAEEL" "WOMBAT-PK" "Caenorhabditis elegans" +"levamisole" 1561 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 5.568153954 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"levamisole" 1561 "Alkaline phosphatase, tissue-nonspecific isozyme" "Enzyme" "P05186" "ALPL" "PPBT_HUMAN" 4.8 "Ki" "Inhibition of TNSALP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1454" "Tchem" "Homo sapiens" +"levamisole" 1561 "Nicotinic acetylcholine receptor alpha subunit" "Ion channel" "O96760" "O96760_ASCSU" "Mechanism of Action; CHEMBL1884; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1454" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1454" "AGONIST" "Ascaris suum" +"levamisole" 1561 "Alkaline phosphatase, tissue-nonspecific isozyme" "Unclassified" "P09487" "ALPL" "PPBT_BOVIN" 4.72 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1454" "Bos taurus" +"levamfetamine" 1562 "Trace amine-associated receptor 1" "GPCR" "Q96RJ0" "TAAR1" "TAAR1_HUMAN" 6.6 "EC50" "Activation of human TAAR1 expressed in human HEK293T cells assessed as cAMP accumulation after 10 mins by BRET assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19393" "Tclin" "Homo sapiens" +"levamfetamine" 1562 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 4.33 "Ki" "Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19393" "Tclin" "Homo sapiens" +"levamfetamine" 1562 "Trace amine-associated receptor 1" "GPCR" "Q923Y9" "Taar1" "TAAR1_RAT" 7.47 "EC50" "Activation of rat wild type TAAR1 expressed in HEK293 cells assessed as stimulation of cAMP production after 1 hr by chemiluminescent assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19393" "Rattus norvegicus" +"levamfetamine" 1562 "Trace amine-associated receptor 1" "GPCR" "Q923Y8" "Taar1" "TAAR1_MOUSE" 7.19 "EC50" "Activation of mouse TAAR1 expressed in human HEK293 cells assessed as accumulation of cAMP after 15 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19393" "Mus musculus" +"levamfetamine" 1562 "Serotonin (5-HT) receptor" "GPCR" "P08909|P14842|P19327|P28564|P28565|P30940|P30994|P31388|P32305|P35364|P35365|P35563|Q62758|Q9JJ16" "Htr1a|Htr1b|Htr1d|Htr1f|Htr2a|Htr2b|Htr2c|Htr3a|Htr3b|Htr4|Htr5a|Htr5b|Htr6|Htr7" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT|5HT2A_RAT|5HT2B_RAT|5HT2C_RAT|5HT3A_RAT|5HT3B_RAT|5HT4R_RAT|5HT5A_RAT|5HT5B_RAT|5HT6R_RAT|5HT7R_RAT" 5.16 "Kd" "Affinity against 5-hydroxytryptamine receptors in rat fundus model" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19393" "Rattus norvegicus" +"levamfetamine" 1562 "Trace amine-associated receptor 1" "GPCR" "Q8HZ64" "TAAR1" "TAAR1_MACMU" 5.73 "EC50" "Activation of rhesus monkey TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein assessed as cAMP accumulation by fluorescence plate reader" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19393" "Macaca mulatta" +"levetiracetam" 1563 "Synaptic vesicle glycoprotein 2A" "Transporter" "Q7L0J3" "SV2A" "SV2A_HUMAN" 6.09999990463257 "Ki" "Mechanism of Action; CHEMBL1998; SINGLE PROTEIN" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1286" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1286" "MODULATOR" "Tclin" "Homo sapiens" +"levetiracetam" 1563 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"levetiracetam" 1563 "Voltage-dependent T-type calcium channel subunit alpha-1G" "Ion channel" "O43497" "CACNA1G" "CAC1G_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"levetiracetam" 1563 "Sodium channel protein type 1 subunit alpha" "Ion channel" "P35498" "SCN1A" "SCN1A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"levetiracetam" 1563 "Synaptic vesicle glycoprotein 2A" "Unclassified" "Q02563" "Sv2a" "SV2A_RAT" 6.1 "IC50" "In vitro inhibitory activity against [3H](2S)-2-[4-(3-azidophenyl)-2-oxopyrrolidin-1-yl]butanamide binding to levetiracetam binding site, in rat brain homogenate" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6826" "INHIBITOR" "Rattus norvegicus" +"levocabastine" 1564 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.279 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1237102" "ANTAGONIST" "Tclin" "Homo sapiens" +"levocabastine" 1564 "Neurotensin receptor type 2" "GPCR" "O95665" "NTSR2" "NTR2_HUMAN" 6.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1586" "AGONIST" "Tchem" "Homo sapiens" +"levocabastine" 1564 "Neurotensin receptor 2" "Unclassified" "Q63384" "Ntsr2" "NTR2_RAT" 7.48 "Ki" "Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1237102" "Rattus norvegicus" +"levocabastine" 1564 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"levocabastine" 1564 "Neurotensin receptor type 2" "GPCR" "P70310" "Ntsr2" "NTR2_MOUSE" 8.7 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1586" "AGONIST" "Mus musculus" +"levocetirizine" 1566 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.95 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201190" "ANTAGONIST" "Tclin" "Homo sapiens" +"levodopa" 1567 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.540607512 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"levodopa" 1567 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 5.428407617 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"levodopa" 1567 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.668370282 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"levodopa" 1567 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.646276062 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" +"levodopa" 1567 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" "WOMBAT-PK" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/7878037" "AGONIST" "Tclin" "Homo sapiens" +"levodopa" 1567 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" "WOMBAT-PK" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/7878037" "AGONIST" "Tclin" "Homo sapiens" +"levofloxacin" 1569 "DNA gyrase subunit A" "Enzyme" "P9WG47" "gyrA" "GYRA_MYCTU" 4.28 "IC50" "Inhibition of DNA supercoiling activity of wild type Mycobacterium tuberculosis DNA gyrase A" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL33" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"levofloxacin" 1569 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 4.75 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL33" "Tchem" "Homo sapiens" +"levofloxacin" 1569 "DNA gyrase" "Enzyme" "P0A4L9|P72524" "gyrA|gyrB" "GYRA_STRPN|GYRB_STRPN" "Mechanism of Action; CHEMBL2311225; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL33" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL33" "INHIBITOR" "Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)" +"levofloxacin" 1569 "DNA topoisomerase 4" "Enzyme" "P72525|Q59961" "parC|parE" "PARC_STRPN|PARE_STRPN" "Mechanism of Action; CHEMBL2363033; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL33" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL33" "INHIBITOR" "Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)" +"levofloxacin" 1569 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 3.04 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"levofloxacin" 1569 "CAAX prenyl protease 2" "Enzyme" "Q9Y256" "RCE1" "FACE2_HUMAN" 4.3899998664856 "AC50" "PUBCHEM_BIOASSAY: Human Ras-Converting Enzyme Inhibition Assay Measured in Biochemical System Using Plate Reader - 2034-04_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2618]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL33" "Tchem" "Homo sapiens" +"levomethadyl acetate" 1571 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1514" "AGONIST" "Tclin" "Homo sapiens" +"levomethadyl acetate" 1571 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.65999984741211 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1514" "Tclin" "Homo sapiens" +"levonorgestrel" 1572 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 12.7959 "ED50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1389" "AGONIST" "Tclin" "Homo sapiens" +"levonorgestrel" 1572 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.225483034 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"levonorgestrel" 1572 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 7.167491087 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"levonorgestrel" 1572 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 8.369572125 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"levonorgestrel" 1572 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 9.339134522 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"levonorgestrel" 1572 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 8.91 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1389" "Tchem" "Homo sapiens" +"levonorgestrel" 1572 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"levorphanol" 1574 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 8.64 "Ki" "Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of Chinese hamster ovary membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL592" "Tclin" "Homo sapiens" +"levorphanol" 1574 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 8.38 "Ki" "Inhibition of [3H]naltrindole binding to opioid receptor delta 1 of Chinese hamster ovary membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL592" "Tclin" "Homo sapiens" +"levorphanol" 1574 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 9.68 "Ki" "Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of Chinese hamster ovary membrane" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL592" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL592" "AGONIST" "Tclin" "Homo sapiens" +"levorphanol" 1574 "Kappa-type opioid receptor" "GPCR" "P41144" "OPRK1" "OPRK_CAVPO" 8.64 "Ki" "Binding affinity against opioid receptor kappa 1 using [3H]-U-69,593 as radioligand in guinea pig brain membranes." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL592" "Cavia porcellus" +"levorphanol" 1574 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 4.6 "Ki" "Inhibition of electric eel AChE by Ellman's method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL592" "Electrophorus electricus" +"levorphanol" 1574 "Mu-type opioid receptor" "GPCR" "P42866" "Oprm1" "OPRM_MOUSE" 9.52 "Ki" "Binding affinity for mouse opioid receptor mu" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL592" "Mus musculus" +"levorphanol" 1574 "Kappa-type opioid receptor" "GPCR" "P33534" "Oprk1" "OPRK_MOUSE" 8 "Ki" "Binding affinity for mouse opioid receptor kappa" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL592" "Mus musculus" +"levorphanol" 1574 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "O55242" "Sigmar1" "SGMR1_MOUSE" 8.72 "Ki" "Binding affinity for mouse sigma opioid receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL592" "Mus musculus" +"levorphanol" 1574 "Glutamate NMDA receptor" "Ion channel" "P35439|Q00959|Q00960|Q00961|Q62645|Q8VHN2|Q9R1M7" "Grin1|Grin2a|Grin2b|Grin2c|Grin2d|Grin3a|Grin3b" "NMD3A_RAT|NMD3B_RAT|NMDE1_RAT|NMDE2_RAT|NMDE3_RAT|NMDE4_RAT|NMDZ1_RAT" 5.92 "IC50" "Binding affinity against PCP binding site associated with N-methyl-D-aspartate glutamate receptor from rat synaptic plasma membrane(SPM) determined using [3H]TCP as radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL592" "Rattus norvegicus" +"levorphanol" 1574 "Mu-type opioid receptor" "GPCR" "P97266" "OPRM1" "OPRM_CAVPO" 9.68 "Ki" "Binding affinity against opioid receptor mu 1 using [3H]DAMGO as radioligand in guinea pig brain membranes." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL592" "Cavia porcellus" +"levorphanol" 1574 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.6 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL592" "Tclin|Tclin|Tclin" "Homo sapiens" +"levorphanol" 1574 "Glutamate [NMDA] receptor" "Ion channel" "O15399|O60391|Q05586|Q12879|Q13224|Q14957|Q8TCU5" "GRIN1|GRIN2A|GRIN2B|GRIN2C|GRIN2D|GRIN3A|GRIN3B" "NMD3A_HUMAN|NMD3B_HUMAN|NMDE1_HUMAN|NMDE2_HUMAN|NMDE3_HUMAN|NMDE4_HUMAN|NMDZ1_HUMAN" 5.6 "IC50" "Binding affinity against dextromethorpin binding site associated with N-methyl-D-aspartate glutamate receptor from guinea pig mitochondriall pellet P2 determined using [3H]1 as radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL592" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"levorphanol" 1574 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprk1|Oprm1|Sigmar1" "OPRD_RAT|OPRK_RAT|OPRM_RAT|SGMR1_RAT" 9.15 "EC50" "Binding affinity to opioid receptor in rat brain homogenates" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL592" "Rattus norvegicus" +"levosalbutamol" 1575 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.42 "Ki" "Displacement of [3H]-DHA from recombinant human beta2 adrenoceptor expressed in HEK293T cells in presence of 100 uM boric acid" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1002" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1002" "AGONIST" "Tclin" "Homo sapiens" +"levosimendan" 1576 "ATP-sensitive inward rectifier potassium channel 8" "Ion channel" "Q15842" "KCNJ8" "KCNJ8_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"levosimendan" 1576 "ATP-sensitive inward rectifier potassium channel 11" "Ion channel" "Q14654" "KCNJ11" "KCJ11_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"levosimendan" 1576 "cGMP-inhibited 3',5'-cyclic phosphodiesterase A" "Enzyme" "Q14432" "PDE3A" "PDE3A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"levosimendan" 1576 "Troponin C, slow skeletal and cardiac muscles" "Cytosolic other" "P63316" "TNNC1" "TNNC1_HUMAN" 3.15490198135376 "Kd" "affinity for the binding of levosimendan to cNTnC-Ca2+-cTnI-(144-163) complex" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/18570382" "http://www.ncbi.nlm.nih.gov/pubmed/18570382" "OPENER" "Tclin" "Homo sapiens" +"levosulpiride" 1577 "D(1A) dopamine receptor" "GPCR" "Q95136" "DRD1" "DRD1_BOVIN" 4.3 "Ki" "In vitro displacement of [3H]- SCH 23390 from the dopamine receptor D1 of bovine striatal membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267044" "Bos taurus" +"levosulpiride" 1577 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 4.82 "Ki" "Ability to inhibit [3H]WB-4101 binding to alpha-1 adrenergic receptor was determined in rat" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267044" "Rattus norvegicus" +"levosulpiride" 1577 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2a|Htr2b|Htr2c" "5HT2A_RAT|5HT2B_RAT|5HT2C_RAT" 4.57 "Ki" "Ability to inhibit [3H]spiperone binding to 5-hydroxytryptamine 2 receptor determined in rat" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267044" "Rattus norvegicus" +"levosulpiride" 1577 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd2|Drd3|Drd4|Drd5" "DRD1_RAT|DRD2_RAT|DRD3_RAT|DRD4_RAT|DRD5_RAT" 6.68 "IC50" "Antidopamine activity in vitro by ability to displace [3H]spiperone from rat brain striatal preparations." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267044" "Rattus norvegicus" +"levosulpiride" 1577 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.29 "Ki" "In vitro displacement of [3H]spiperone from the recombinant human dopamine receptor D2 short form expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267044" "Tclin" "Homo sapiens" +"levosulpiride" 1577 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.68 "Ki" "In vitro displacement of [3H]spiperone from the recombinant human dopamine receptor D4 expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267044" "Tchem" "Homo sapiens" +"levosulpiride" 1577 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.06 "Ki" "In vitro displacement of [3H]spiperone from the cloned human dopamine receptor D3 stably expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267044" "Tclin" "Homo sapiens" +"levosulpiride" 1577 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 8.16 "Ki" "Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267044" "Rattus norvegicus" +"lidocaine" 1579 "Sodium channel protein type 2 subunit alpha" "Ion channel" "Q99250" "SCN2A" "SCN2A_HUMAN" "UNKNOWN" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL79" "BLOCKER" "Tclin" "Homo sapiens" +"lidocaine" 1579 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" 4.8 "Kd" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2623" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL79" "BLOCKER" "Tclin" "Homo sapiens" +"lidocaine" 1579 "Sodium channel protein type 10 subunit alpha" "Ion channel" "Q9Y5Y9" "SCN10A" "SCNAA_HUMAN" "UNKNOWN" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL79" "BLOCKER" "Tclin" "Homo sapiens" +"lidocaine" 1579 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P04774|P04775|P08104" "Scn1a|Scn2a|Scn3a" "SCN1A_RAT|SCN2A_RAT|SCN3A_RAT" 4.25 "IC50" "Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL79" "Rattus norvegicus" +"lidocaine" 1579 "Sodium channel protein type 4 subunit alpha" "Ion channel" "P35499" "SCN4A" "SCN4A_HUMAN" 5.7 "IC50" "Modulation of human Nav1.4 in open-inactivated state assessed as inhibition of inward current after 4 mins by whole-cell electrophysiology" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL79" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL79" "BLOCKER" "Tclin" "Homo sapiens" +"lidocaine" 1579 "Sodium channel protein type 9 subunit alpha" "Ion channel" "Q15858" "SCN9A" "SCN9A_HUMAN" 4.54 "IC50" "Modulation of human Nav1.7 in open-inactivated state assessed as inhibition of inward current after 4 mins by whole-cell electrophysiology" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL79" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL79" "BLOCKER" "Tclin" "Homo sapiens" +"lidocaine" 1579 "Sodium channel protein type 3 subunit alpha" "Ion channel" "Q9NY46" "SCN3A" "SCN3A_HUMAN" 4.98 "IC50" "Modulation of human Nav1.3 in open-inactivated state assessed as inhibition of inward current after 4 mins by whole-cell electrophysiology" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL79" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL79" "BLOCKER" "Tclin" "Homo sapiens" +"lidocaine" 1579 "Acetylcholine receptor" "Ion channel" "P02708|P11230|Q07001" "CHRNA1|CHRNB1|CHRND" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN" 4.9547 "IC50" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin" "Homo sapiens" +"lidocaine" 1579 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4" "Ion channel" "Q9Y3Q4" "HCN4" "HCN4_HUMAN" 3.5591 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"lidocaine" 1579 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 3.2958 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"lidocaine" 1579 "Sodium channel protein type 5 subunit alpha" "Unclassified" "P15389" "Scn5a" "SCN5A_RAT" 4.2 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2623" "BLOCKER" "Rattus norvegicus" +"lidocaine" 1579 "Sodium channel protein type X alpha subunit" "Unclassified" "Q62968" "Scn10a" "SCNAA_RAT" 4 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2623" "BLOCKER" "Rattus norvegicus" +"lidoflazine" 1580 "Equilibrative nucleoside transporter 1" "Transporter" "Q99808" "SLC29A1" "S29A1_HUMAN" 6.55 "Ki" "Inhibition of ENT1 in human K562 cells by flow cytometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL92870" "Tclin" "Homo sapiens" +"lidoflazine" 1580 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 7.8 "IC50" "Inhibitory concentration against potassium channel HERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL92870" "Tclin" "Homo sapiens" +"lidoflazine" 1580 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P04774|P04775|P08104" "Scn1a|Scn2a|Scn3a" "SCN1A_RAT|SCN2A_RAT|SCN3A_RAT" 7.11 "Ki" "Inhibition of [3H]- batrachotoxin binding to sodium channel in rat neocortical membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL92870" "Rattus norvegicus" +"limaprost" 1581 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P34995" "PTGER1" "PE2R1_HUMAN" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D02722" "http://www.kegg.jp/entry/D02722" "AGONIST" "Tclin" "Homo sapiens" +"lincomycin" 1582 "50S ribosomal protein L10" "Ribosomal protein" "P15825" "rpl10" "RL10_HALMA" "WOMBAT-PK" "Haloarcula marismortui (strain ATCC 43049 / DSM 3752 / JCM 8966 / VKM B-1809)" +"lindane" 1583 "Gamma-aminobutyric acid receptor subunit beta-3" "Ion channel" "P28472" "GABRB3" "GBRB3_HUMAN" 9.05 "IC50" "Displacement of [3H]EBOB from recombinant Homo sapiens (human) GABA beta3 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15891" "Tclin" "Homo sapiens" +"lindane" 1583 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRB3|GABRG2" "GBRA1_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 7.68 "IC50" "Displacement of [3H]EBOB from recombinant Homo sapiens (human) GABA alpha1beta3gamma2 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15891" "Tclin|Tclin|Tclin" "Homo sapiens" +"lindane" 1583 "Gamma-aminobutyric acid receptor subunit rho-1" "Ion channel" "P24046" "GABRR1" "GBRR1_HUMAN" 7.04 "IC50" "Displacement of [3H]EBOB from recombinant Homo sapiens (human) GABA rho1 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15891" "Tchem" "Homo sapiens" +"lindane" 1583 "Gamma-aminobutyric acid receptor subunit beta" "Ion channel" "Q75NA5" "Rdl" "GBRB_MUSDO" 7.96 "IC50" "Inhibition of Musca domestica (house fly) GABA receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15891" "Musca domestica" +"lindane" 1583 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 4.39 "IC50" "Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15891" "Rattus norvegicus" +"lindane" 1583 "GABA A receptor alpha-1/beta-1/gamma-2" "Ion channel" "P14867|P18505|P18507" "GABRA1|GABRB1|GABRG2" "GBRA1_HUMAN|GBRB1_HUMAN|GBRG2_HUMAN" 7.17 "IC50" "Displacement of [3H]EBOB from recombinant Homo sapiens (human) GABA alpha1beta1gamma2 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15891" "Tclin|Tclin|Tclin" "Homo sapiens" +"lindane" 1583 "GABA-A receptor alpha-6/beta-3/gamma-2" "Ion channel" "P18507|P28472|Q16445" "GABRA6|GABRB3|GABRG2" "GBRA6_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 8.31 "IC50" "Displacement of [3H]EBOB from recombinant Homo sapiens (human) GABA alpha6beta3gamma2 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15891" "Tclin|Tclin|Tclin" "Homo sapiens" +"lindane" 1583 "GABA-A receptor" "Ion channel" "H9U2V9|H9U2W0|H9U2W1" "Rdl1|Rdl2|Rdl3" "H9U2V9_TETUR|H9U2W0_TETUR|H9U2W1_TETUR" "Mechanism of Action; CHEMBL2364024; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15891" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15891" "NEGATIVE ALLOSTERIC MODULATOR" "Tetranychus urticae" +"lindane" 1583 "GABA-A receptor" "Ion channel" "E0V9W2|E0VY07|E0W492" "E0V9W2_PEDHC|E0VY07_PEDHC|E0W492_PEDHC" "Mechanism of Action; CHEMBL2364025; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15891" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15891" "NEGATIVE ALLOSTERIC MODULATOR" "Pediculus humanus subsp. corporis" +"linezolid" 1584 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 4.5 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"linezolid" 1584 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 5.1 "Ki" "Inhibition of MAO-A (unknown origin) by luciferase reporter gene assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL126" "Tclin" "Homo sapiens" +"linezolid" 1584 "Amine oxidase [flavin-containing] B" "Enzyme" "P19643" "Maob" "AOFB_RAT" 4.77 "IC50" "Compound was evaluated for inhibition of Mono aminoxidase B in rat primary hepatocytes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL126" "Rattus norvegicus" +"liothyronine" 1585 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 6.620331966 "Ki" "DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"liothyronine" 1585 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 6.301 "EC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"liothyronine" 1585 "THAP domain-containing protein 1" "Unclassified" "Q9NVV9" "THAP1" "THAP1_HUMAN" 9 "EC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"liothyronine" 1585 "Proliferating cell nuclear antigen" "Unclassified" "P12004" "PCNA" "PCNA_HUMAN" 5.44 "IC50" "Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarization assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1544" "Tchem" "Homo sapiens" +"liothyronine" 1585 "Thyroid hormone receptor alpha" "Nuclear hormone receptor" "P10827" "THRA" "THA_HUMAN" 10.24 "Kd" "Displacement of [125I]T3 from human TRalpha receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1544" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1544" "AGONIST" "Tclin" "Homo sapiens" +"liothyronine" 1585 "GABA-A receptor; anion channel" "Ion channel" "O00591|O14764|P14867|P18505|P18507|P28472|P31644|P34903|P47869|P47870|P48169|P78334|Q16445|Q8N1C3|Q99928|Q9UN88" "GABRA1|GABRA2|GABRA3|GABRA4|GABRA5|GABRA6|GABRB1|GABRB2|GABRB3|GABRD|GABRE|GABRG1|GABRG2|GABRG3|GABRP|GABRQ" "GBRA1_HUMAN|GBRA2_HUMAN|GBRA3_HUMAN|GBRA4_HUMAN|GBRA5_HUMAN|GBRA6_HUMAN|GBRB1_HUMAN|GBRB2_HUMAN|GBRB3_HUMAN|GBRD_HUMAN|GBRE_HUMAN|GBRG1_HUMAN|GBRG2_HUMAN|GBRG3_HUMAN|GBRP_HUMAN|GBRT_HUMAN" 4.64 "IC50" "Direct channel-gating action blocked by picrotoxin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1544" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"liothyronine" 1585 "Thyroid hormone receptor beta" "Nuclear hormone receptor" "P10828" "THRB" "THB_HUMAN" 10.1 "Ki" "Inhibitory activity against [125I]T3 binding to human TRbeta1 receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1544" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1544" "AGONIST" "Tclin" "Homo sapiens" +"liothyronine" 1585 "GABA-A receptor; anion channel" "Ion channel" "O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14" "Gabra1|Gabra2|Gabra3|Gabra4|Gabra5|Gabra6|Gabrb1|Gabrb2|Gabrb3|Gabrd|Gabre|Gabrg1|Gabrg2|Gabrg3|Gabrp|Gabrq" "GBRA1_RAT|GBRA2_RAT|GBRA3_RAT|GBRA4_RAT|GBRA5_RAT|GBRA6_RAT|GBRB1_RAT|GBRB2_RAT|GBRB3_RAT|GBRD_RAT|GBRE_RAT|GBRG1_RAT|GBRG2_RAT|GBRG3_RAT|GBRP_RAT|Q91ZM7_RAT" 5.15 "EC50" "Non-competitive inhibitory activity against recombinant Gamma-aminobutyric acid A (GABA-A) receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1544" "Rattus norvegicus" +"liothyronine" 1585 "Thyroid hormone receptor beta" "Transcription factor" "P18113" "Thrb" "THB_RAT" 8.74 "IC50" "In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1544" "Rattus norvegicus" +"lisinopril" 1587 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 8.92 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1237" "INHIBITOR" "Tclin" "Homo sapiens" +"lisinopril" 1587 "Angiotensin-converting enzyme" "Enzyme" "P12822" "ACE" "ACE_RABIT" 7.29 "Ki" "Inhibition of rabbit testis recombinant ACE C domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1237" "Oryctolagus cuniculus" +"lisuride" 1588 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 8.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=43" "AGONIST" "Rattus norvegicus" +"lisuride" 1588 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 9.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=43" "AGONIST" "Rattus norvegicus" +"lisuride" 1588 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=43" "AGONIST" "Tclin" "Homo sapiens" +"lisuride" 1588 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.490797478 "Ki" "DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"lisuride" 1588 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 7.537602002 "Ki" "DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"lisuride" 1588 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 9.935542011 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"lisuride" 1588 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.061480275 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"lisuride" 1588 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.48945499 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/Orphan_designation/2011/05/WC500106736.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"lisuride" 1588 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 8.258848401 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"lisuride" 1588 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 9.625251654 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"lisuride" 1588 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.721246399 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"lisuride" 1588 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.990549104 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"lisuride" 1588 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 9.203425667 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"lisuride" 1588 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 7.795880017 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"lisuride" 1588 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.036684489 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"lisuride" 1588 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.173925197 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"lisuride" 1588 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 8.338187314 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"lisuride" 1588 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 9.4 "Ki" "Binding affinity towards Serotonin 5-hydroxytryptamine 1A receptor by displacement of [3H]-(+)-8-OH-DPAT." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL157138" "Tclin" "Homo sapiens" +"lisuride" 1588 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.3 "Ki" "Binding affinity towards Dopamine receptor D2 by displacement of [3H]U-86170." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL157138" "Tclin" "Homo sapiens" +"lisuride" 1588 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.11 "Ki" "Affinity towards Dopamine receptor D1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL157138" "Tclin" "Homo sapiens" +"lisuride" 1588 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.77 "Ki" "Binding affinity towards Dopamine receptor D3 by displacement of [3H](+)-7-OH-DPAT." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL157138" "Tclin" "Homo sapiens" +"lisuride" 1588 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 9.52 "Kd" "In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL157138" "Rattus norvegicus" +"lisuride" 1588 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.78 "Ki" "PDSP" "Tclin" "Homo sapiens" +"lisuride" 1588 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=43" "AGONIST" "Tclin" "Homo sapiens" +"lisuride" 1588 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=43" "ANTAGONIST" "Tclin" "Homo sapiens" +"lisuride" 1588 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=43" "AGONIST" "Tchem" "Homo sapiens" +"lisuride" 1588 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 8.5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=43" "AGONIST" "Tchem" "Homo sapiens" +"lisuride" 1588 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=43" "AGONIST" "Tclin" "Homo sapiens" +"lisuride" 1588 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 9.33 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL157138" "Rattus norvegicus" +"lisuride" 1588 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.64 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL157138" "Rattus norvegicus" +"lofepramine" 1592 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.69896984100342 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"lofepramine" 1592 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.33724212646484 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"lofepramine" 1592 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.3372 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"lofepramine" 1592 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.4685 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"lofepramine" 1592 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.8861 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"lofepramine" 1592 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.4815 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"lofepramine" 1592 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.1739 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"lofepramine" 1592 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.4437 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"lofepramine" 1592 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"lofepramine" 1592 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"lofepramine" 1592 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 8.2676 "Ki" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7551" "INHIBITOR" "Tclin" "Homo sapiens" +"lofepramine" 1592 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.1549 "Ki" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7551" "INHIBITOR" "Tclin" "Homo sapiens" +"lofexidine" 1593 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 8.6 "IC50" "Binding affinity against Alpha-2 adrenergic receptor is the ability to inhibit the specific [3H]clonidine binding (0.4 nM) to rat isolated brain membranes by 50% was reported; 2.5*10e-9" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17860" "Rattus norvegicus" +"lofexidine" 1593 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.17 "Ki" "Displacement of [3H]RS-79948-197 from human adrenoceptor aplha 2B expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17860" "Tclin" "Homo sapiens" +"lofexidine" 1593 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.16 "Ki" "Displacement of [3H]RS-79948-197 from human adrenoceptor aplha 2C expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17860" "Tclin" "Homo sapiens" +"lofexidine" 1593 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.9 "Ki" "Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells after 30 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17860" "Tclin" "Homo sapiens" +"lofexidine" 1593 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 6.18 "IC50" "Binding affinity against alpha-1 adrenergic receptor is the ability to inhibit the specific [3H]prazosin binding (0.2 nM) to rat isolated brain membranes by 50% was reported; 6.6*10e-7" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17860" "Rattus norvegicus" +"lofexidine" 1593 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 8.36 "Ki" "Displacement of [3H]RS-79948-197 from human adrenoceptor aplha 2A expressed in CHO cells" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17860" "http://www.ncbi.nlm.nih.gov/pubmed/20040696" "AGONIST" "Tclin" "Homo sapiens" +"lomefloxacin" 1594 "DNA gyrase subunit A" "Enzyme" "P43700" "gyrA" "GYRA_HAEIN" 5.15 "IC50" "WOMBAT-PK" "=" "Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)" +"lomefloxacin" 1594 "DNA gyrase" "Enzyme" "P0AES4|P0AES6" "gyrA|gyrB" "GYRA_ECOLI|GYRB_ECOLI" "Mechanism of Action; CHEMBL2311224; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL561" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL561" "INHIBITOR" "Escherichia coli (strain K12)" +"lomerizine" 1595 "Voltage-dependent N-type calcium channel subunit alpha-1B" "Ion channel" "Q00975" "CACNA1B" "CAC1B_HUMAN" 5.61 "IC50" "Inhibition of calcium channel Cav2.2 in IMR32 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL29188" "Tclin" "Homo sapiens" +"lomustine" 1596 "DNA" "DNA" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/017588s040lbl.pdf" "OTHER" +"lonazolac" 1597 "Prostaglandin E synthase" "Enzyme" "O14684" "PTGES" "PTGES_HUMAN" 4.35 "IC50" "Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as inhibition of PGE2 formation from PGH2 after 15 mins by RP-HPLC analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1334692" "Tchem" "Homo sapiens" +"loperamide" 1599 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.684869683 "Ki" "DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"loperamide" 1599 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.578396073 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"loperamide" 1599 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.931814138 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"loperamide" 1599 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.58286059 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"loperamide" 1599 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.342944147 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"loperamide" 1599 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.518557371 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"loperamide" 1599 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.698970004 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"loperamide" 1599 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.599116784 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"loperamide" 1599 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.272458743 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"loperamide" 1599 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.071604148 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"loperamide" 1599 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 8.8239 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL841" "AGONIST" "Tclin" "Homo sapiens" +"loperamide" 1599 "Glutamate receptor ionotropic, NMDA 2D" "Ion channel" "O15399" "GRIN2D" "NMDE4_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"loperamide" 1599 "Glutamate receptor ionotropic, NMDA 2C" "Ion channel" "Q14957" "GRIN2C" "NMDE3_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"loperamide" 1599 "Glutamate receptor ionotropic, NMDA 2B" "Ion channel" "Q13224" "GRIN2B" "NMDE2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"loperamide" 1599 "Somatostatin receptor type 5" "GPCR" "P35346" "SSTR5" "SSR5_HUMAN" 5.3449 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"loperamide" 1599 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 6.9101 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"loperamide" 1599 "Calmodulin" "Cytosolic other" "P0DP23|P0DP24|P0DP25" "CALM1|CALM2|CALM3" "CALM1_HUMAN|CALM2_HUMAN|CALM3_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"loperamide" 1599 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 6.8097 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"loperamide" 1599 "Voltage-dependent P/Q-type calcium channel subunit alpha-1A" "Ion channel" "O00555" "CACNA1A" "CAC1A_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"loperamide" 1599 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 5 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"loperamide" 1599 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.699 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"loperamide" 1599 "Glutamate receptor ionotropic, NMDA 2A" "Ion channel" "Q12879" "GRIN2A" "NMDE1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"loperamide" 1599 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.63 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL841" "Tchem" "Homo sapiens" +"loperamide" 1599 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 5.23 "Kd" "Binding affinity to human recombinant Tie2 by SPR assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL841" "Tclin" "Homo sapiens" +"loperamide" 1599 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 6.57 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL841" "Tclin|Tclin|Tclin" "Homo sapiens" +"loperamide" 1599 "Delta-type opioid receptor" "GPCR" "P33533" "Oprd1" "OPRD_RAT" 7.3 "Ki" "Binding affinity for delta opioid receptor of rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL841" "Rattus norvegicus" +"loperamide" 1599 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 9.8 "Ki" "Binding affinity for Mu opioid receptor of rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL841" "Rattus norvegicus" +"loperamide" 1599 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 5.21 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL841" "Rattus norvegicus" +"lopinavir" 1601 "Gag-Pol polyprotein" "Polyprotein" "P03367" "gag-pol" "POL_HV1BR" "WOMBAT-PK" "Human immunodeficiency virus type 1 group M subtype B (isolate BRU/LAI)" +"lopinavir" 1601 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 4.99 "IC50" "Inhibition of human MDR1-dependent accumulation of calcein-AM expressed in MDCK2 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL729" "Tchem" "Homo sapiens" +"lopinavir" 1601 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.07 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL729" "Tclin" "Homo sapiens" +"lopinavir" 1601 "Pol polyprotein" "Enzyme" "Q72874" "pol" "Q72874_9HIV1" 10.4 "Ki" "Inhibition of HIV1 protease D30N/L63P/N88D mutant" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL729" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL729" "INHIBITOR" "Human immunodeficiency virus 1" +"lopinavir" 1601 "CAAX prenyl protease 1 homolog" "Enzyme" "Q80W54" "Zmpste24" "FACE1_MOUSE" 4.74 "IC50" "Inhibition of mouse ZMPSTE24 expressed n delta ste24 delta rce1 yeast" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL729" "Mus musculus" +"lopinavir" 1601 "Protease" "Enzyme" "Q9YQ12" "protease" "Q9YQ12_9HIV1" 7.6 "IC50" "Inhibition of wild type C-South African Human immunodeficiency virus 1 protease using chromogenic peptide H-1048 as substrate by UV spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL729" "Human immunodeficiency virus 1" +"loprazolam" 1602 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRB3|GABRG2" "GBRA1_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" "Tclin|Tclin|Tclin" "Homo sapiens" +"loprazolam" 1602 "GABA-A receptor alpha-2/beta-3/gamma-2" "Ion channel" "P18507|P28472|P47869" "GABRA2|GABRB3|GABRG2" "GBRA2_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" "Tclin|Tclin|Tclin" "Homo sapiens" +"loprazolam" 1602 "GABA-A receptor alpha-3/beta-3/gamma-2" "Ion channel" "P18507|P28472|P34903" "GABRA3|GABRB3|GABRG2" "GBRA3_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" "Tclin|Tclin|Tclin" "Homo sapiens" +"loprazolam" 1602 "GABA-A receptor alpha-5/beta-3/gamma-2" "Ion channel" "P18507|P28472|P31644" "GABRA5|GABRB3|GABRG2" "GBRA5_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" "Tclin|Tclin|Tclin" "Homo sapiens" +"loracarbef" 1603 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" +"loracarbef" 1603 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1013" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1013" "INHIBITOR" "Escherichia coli (strain K12)" +"loratadine" 1605 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.97 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL998" "ANTAGONIST" "Tclin" "Homo sapiens" +"loratadine" 1605 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.806875402 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"loratadine" 1605 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 7.795880017 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"loratadine" 1605 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 4.94 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"loratadine" 1605 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.77 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"loratadine" 1605 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" 5.52 "EC50" "Agonist activity at PXR (unknown origin) expressed in human HepG2 cells assessed as induction of CYP3A4 transactivation after 16 hrs by luciferase reporter gene assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL998" "Tchem" "Homo sapiens" +"loratadine" 1605 "Bile acid receptor" "Nuclear hormone receptor" "Q96RI1" "NR1H4" "NR1H4_HUMAN" 5.51 "IC50" "Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL998" "Tclin" "Homo sapiens" +"loratadine" 1605 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 6.46 "Ki" "Binding affinity to histamine H1 receptor in rat brain membranes was evaluated using [3H]-pyrilamine as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL998" "Rattus norvegicus" +"loratadine" 1605 "Sodium-dependent neutral amino acid transporter B(0)AT2" "Transporter" "Q9H2J7" "SLC6A15" "S6A15_HUMAN" 5.40000009536743 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL998" "Tbio" "Homo sapiens" +"loratadine" 1605 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 7.14 "Kd" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL998" "Cavia porcellus" +"lorazepam" 1606 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 4.89 "Ki" "Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP high binding affinity site expressed in Escherichia coli BL21 by competitive fluorescence displacement assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL580" "Rattus norvegicus" +"lorazepam" 1606 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRB3|GABRG2" "GBRA1_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 8.456 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL580" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"lorcainide" 1607 "Sodium channel subunit beta-4" "Ion channel" "Q8IWT1" "SCN4B" "SCN4B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"lorcainide" 1607 "Sodium channel subunit beta-3" "Ion channel" "Q9NY72" "SCN3B" "SCN3B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"lorcainide" 1607 "Sodium channel subunit beta-2" "Ion channel" "O60939" "SCN2B" "SCN2B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"lorcainide" 1607 "Sodium channel subunit beta-1" "Ion channel" "Q07699" "SCN1B" "SCN1B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"lorcainide" 1607 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"losartan" 1610 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.540306024 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"losartan" 1610 "Type-1 angiotensin II receptor" "GPCR" "P34976" "AGTR1" "AGTR1_RABIT" 8.8 "Kd" "In vitro binding affinity against Angiotensin II receptor in rabbit aorta rings" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL191" "Oryctolagus cuniculus" +"losartan" 1610 "Phosphodiesterase 4" "Enzyme" "P27815|Q07343|Q08493|Q08499" "PDE4A|PDE4B|PDE4C|PDE4D" "PDE4A_HUMAN|PDE4B_HUMAN|PDE4C_HUMAN|PDE4D_HUMAN" 4.59 "IC50" "Inhibitory effect in cAMP-specific Phosphodiesterase 4 (PDE 4) isolated from guinea pig ventricular tissue." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL191" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"losartan" 1610 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 7.72 "IC50" "Inhibitory activity against angiotensin I converting enzyme (ACE)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL191" "Tclin" "Homo sapiens" +"losartan" 1610 "Angiotensin II receptor" "GPCR" "P25095|P29089|P35351" "Agtr1|Agtr1b|Agtr2" "AGTR2_RAT|AGTRA_RAT|AGTRB_RAT" 8.34 "IC50" "Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL191" "Rattus norvegicus" +"losartan" 1610 "Type-1 angiotensin II receptor" "GPCR" "P30556" "AGTR1" "AGTR1_HUMAN" 9.48 "IC50" "Inhibition of angiotensin AT1 receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL191" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL191" "ANTAGONIST" "Tclin" "Homo sapiens" +"losartan" 1610 "Type-1B angiotensin II receptor" "GPCR" "P29089" "Agtr1b" "AGTRB_RAT" 8.44 "Ki" "Displacement of [125I]-Sar1-Ile8-A II from rat adrenal Angiotensin-1 (AT-1) receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL191" "Rattus norvegicus" +"losartan" 1610 "Type-2 angiotensin II receptor" "GPCR" "P50052" "AGTR2" "AGTR2_HUMAN" 5 "IC50" "In vitro binding affinity of compound against angiotensin II AT-2 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL191" "Tchem" "Homo sapiens" +"losartan" 1610 "Type-2 angiotensin II receptor" "GPCR" "P35351" "Agtr2" "AGTR2_RAT" 5.13 "IC50" "In vitro inhibitory activity against Angiotensin II receptor, type 2 in rat midbrain membrane preparations." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL191" "Rattus norvegicus" +"losartan" 1610 "Type-1A angiotensin II receptor" "GPCR" "P25095" "Agtr1" "AGTRA_RAT" 7.84 "Ki" "Binding affinity against angiotensin II receptor from rat liver; n=8" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL191" "Rattus norvegicus" +"losartan" 1610 "Type-1 angiotensin II receptor" "GPCR" "P25104" "AGTR1" "AGTR1_BOVIN" 7.02 "IC50" "Displacement of [125I]AngII from type 1 angiotensin 2 receptor in bovine adrenal cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL191" "Bos taurus" +"losartan" 1610 "Angiotensin II receptor" "GPCR" "P30556|P50052" "AGTR1|AGTR2" "AGTR1_HUMAN|AGTR2_HUMAN" 8.43 "Kd" "Potency to antagonize the ability of angiotensin II to contract rabbit aorta" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL191" "Tchem|Tclin" "Homo sapiens" +"losartan" 1610 "Angiotensin II receptor (AT-1) type-1" "GPCR" "P25095|P29089" "Agtr1|Agtr1b" "AGTRA_RAT|AGTRB_RAT" 8.72 "Ki" "Displacement of [125I]-Ang II from rat liver membrane angiotensin II type 1 (AT1) receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL191" "Rattus norvegicus" +"losartan" 1610 "Type-1 angiotensin II receptor" "GPCR" "Q9WV26" "AGTR1" "AGTR1_CAVPO" 7.74 "IC50" "In vitro inhibition of the specific binding of [125I]angiotensin II to a guinea pig adrenal membrane preparation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL191" "Cavia porcellus" +"losartan" 1610 "Phosphodiesterase 3" "Enzyme" "Q13370|Q14432" "PDE3A|PDE3B" "PDE3A_HUMAN|PDE3B_HUMAN" 4.89 "IC50" "Inhibition of Phosphodiesterase 3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL191" "Tclin|Tclin" "Homo sapiens" +"losartan" 1610 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 3.4981 "Km" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"loteprednol etabonate" 1611 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00873" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200865" "AGONIST" "Tclin" "Homo sapiens" +"lovastatin" 1612 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P04035" "HMGCR" "HMDH_HUMAN" 7.67 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL503" "INHIBITOR" "Tclin" "Homo sapiens" +"lovastatin" 1612 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.061480275 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"lovastatin" 1612 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.095392636 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"lovastatin" 1612 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 4.807265328 "Ki" "DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"lovastatin" 1612 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.026502691 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"lovastatin" 1612 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 4.696587929 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"lovastatin" 1612 "Hydroxycarboxylic acid receptor 2" "GPCR" "Q8TDS4" "HCAR2" "HCAR2_HUMAN" 7.3 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"lovastatin" 1612 "Hydroxycarboxylic acid receptor 3" "GPCR" "P49019" "HCAR3" "HCAR3_HUMAN" 6.53 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"lovastatin" 1612 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" 6 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2739" "AGONIST" "Tchem" "Homo sapiens" +"lovastatin" 1612 "Histone deacetylase 6" "Enzyme" "Q9UBN7" "HDAC6" "HDAC6_HUMAN" 4.79 "IC50" "Inhibition of recombinant HDAC6 (unknown origin) after 10 mins by fluorimetric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL503" "Tclin" "Homo sapiens" +"lovastatin" 1612 "Leukocyte adhesion glycoprotein LFA-1 alpha" "Adhesion" "P20701" "ITGAL" "ITAL_HUMAN" 4.89 "Kd" "Binding affinity to I-domain of human integrin alphaL (amino acid residues 128 to 307) plus initial methionine expressed in Escherichia coli by NMR spectroscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL503" "Tclin" "Homo sapiens" +"lovastatin" 1612 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 5.57 "Ki" "Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) assessed as inhibition of ATCh hydrolysis by Ellman method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL503" "Electrophorus electricus" +"lovastatin" 1612 "Histone deacetylase 1" "Enzyme" "Q13547" "HDAC1" "HDAC1_HUMAN" 4.92 "IC50" "Inhibition of recombinant HDAC1 (unknown origin) after 10 mins by fluorimetric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL503" "Tclin" "Homo sapiens" +"lovastatin" 1612 "Histone deacetylase 2" "Enzyme" "Q92769" "HDAC2" "HDAC2_HUMAN" 4.59 "IC50" "Inhibition of recombinant HDAC2 (unknown origin) after 10 mins by fluorimetric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL503" "Tclin" "Homo sapiens" +"lovastatin" 1612 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 5.96 "Ki" "Inhibition of Equus caballus (horse) serum butyrylcholinesterase (BChE) assessed as inhibition of BTCh hydrolysis by Ellman method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL503" "Equus caballus" +"lovastatin" 1612 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P51639" "Hmgcr" "HMDH_RAT" 8.52 "IC50" "Inhibition of rat liver microsomal HMG-CoA reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL503" "Rattus norvegicus" +"lovastatin" 1612 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "Q01237" "Hmgcr" "HMDH_MOUSE" 7.57 "IC50" "In vitro inhibitory activity against isolated enzyme HMG-CoA reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL503" "Mus musculus" +"lovastatin" 1612 "Acyl-CoA:cholesterol acyltransferase" "Unclassified" "Q95214" "ACAT" "Q95214_RABIT" 4.77 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL503" "Oryctolagus cuniculus" +"loxapine" 1613 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 7.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=205" "ANTAGONIST" "Rattus norvegicus" +"loxapine" 1613 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 5.2968807220459 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"loxapine" 1613 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.50863838195801 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"loxapine" 1613 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 6.11013841629028 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"loxapine" 1613 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 6.72124624252319 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"loxapine" 1613 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.27572393417358 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"loxapine" 1613 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 5.85418224334717 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"loxapine" 1613 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.41116809844971 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"loxapine" 1613 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 5.45992088317871 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"loxapine" 1613 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.68193674087524 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"loxapine" 1613 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 7.12493896484375 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"loxapine" 1613 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.26760625839233 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"loxapine" 1613 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.91364002227783 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"loxapine" 1613 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.09718179702759 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"loxapine" 1613 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.96738195419312 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"loxapine" 1613 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.82131099700928 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"loxapine" 1613 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.82947063446045 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"loxapine" 1613 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.60977172851563 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"loxapine" 1613 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.08709239959717 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"loxapine" 1613 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.37601327896118 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"loxapine" 1613 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=205" "ANTAGONIST" "Tclin" "Homo sapiens" +"loxapine" 1613 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=205" "ANTAGONIST" "Tclin" "Homo sapiens" +"loxapine" 1613 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 7.37 "Ki" "Binding affinity towards rat 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL831" "Rattus norvegicus" +"loxapine" 1613 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 7.74 "IC50" "In vitro binding affinity towards Alpha-1 adrenergic receptor by the displacement of [3H]prazosin radioligand in rat cortical homogenates" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL831" "Rattus norvegicus" +"loxapine" 1613 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.26 "IC50" "Inhibition of binding of 1.0 nM [3H]pirenzepine to cloned human Muscarinic acetylcholine receptor M1 expressed in membranes from CHO-K1 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL831" "Tclin" "Homo sapiens" +"loxapine" 1613 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.82 "Ki" "Binding affinity towards human 5-hydroxytryptamine 6 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL831" "Tchem" "Homo sapiens" +"loxapine" 1613 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.68 "Ki" "Affinity was evaluated by inhibition of [3H]spiperone binding to COS cells transfected with human dopamine D-2(long) receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL831" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL831" "ANTAGONIST" "Tclin" "Homo sapiens" +"loxapine" 1613 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.31 "Ki" "Affinity was evaluated by inhibition of [3H]-spiperone binding to COS cells transfected with human dopamine D-4 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL831" "ANTAGONIST" "Tchem" "Homo sapiens" +"loxapine" 1613 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.62 "Ki" "Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL831" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL831" "ANTAGONIST" "Tclin" "Homo sapiens" +"loxapine" 1613 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.66 "IC50" "Binding affinity towards human Dopamine receptor D3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL831" "ANTAGONIST" "Tclin" "Homo sapiens" +"loxapine" 1613 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 6 "IC50" "Binding affinity towards histamine H1 receptor from rat brain membranes using [3H]mepyramine as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL831" "Rattus norvegicus" +"loxapine" 1613 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 7.68 "Ki" "In vitro binding affinity towards Dopamine receptor D2 in rat tissue homogenate using [3H]-spiperone as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL831" "Rattus norvegicus" +"loxapine" 1613 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 6 "IC50" "Compound was tested in vitro for its binding affinity towards 5-hydroxytryptamine 2C receptor from rat using [3H]mesulergine as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL831" "Rattus norvegicus" +"loxapine" 1613 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 8.22 "IC50" "Binding affinity towards 5-hydroxytryptamine 2A receptor from rat frontal cortex using [3H]ketanserin as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL831" "Rattus norvegicus" +"loxapine" 1613 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.244277555 "Ki" "PDSP" "Tclin" "Homo sapiens" +"loxapine" 1613 "Potassium channel subfamily T member 1" "Ion channel" "Q5JUK3" "KCNT1" "KCNT1_HUMAN" 5.36 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=205" "ACTIVATOR" "Tchem" "Homo sapiens" +"loxiglumide" 1614 "Cholecystokinin receptor type A" "GPCR" "P32238" "CCKAR" "CCKAR_HUMAN" 6.71 "IC50" "Displacement of [111In]DTPA-Glu-Gly-[Tyr27(SO3H)]-CCK8 from human CCK1 receptor in A431 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL206025" "Tclin" "Homo sapiens" +"loxiglumide" 1614 "Cholecystokinin receptor type A" "GPCR" "P30551" "Cckar" "CCKAR_RAT" 6.5 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=892" "ANTAGONIST" "Rattus norvegicus" +"loxoprofen" 1615 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.19 "IC50" "Inhibitory potency against Prostaglandin G/H synthase 1 in human whole blood assay" "CHEMBL" "=" 1 "KEGG DRUG" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19299" "http://www.kegg.jp/entry/D08149" "INHIBITOR" "Tclin" "Homo sapiens" +"loxoprofen" 1615 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 5 "IC50" "Inhibition of COX2 in human whole blood assessed as PGE2 biosynthesis after 24 hrs by EIA" "CHEMBL" "=" 1 "KEGG DRUG" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19299" "http://www.kegg.jp/entry/D08149" "INHIBITOR" "Tclin" "Homo sapiens" +"lucanthone" 1616 "DNA-(apurinic or apyrimidinic site) lyase" "Enzyme" "P27695" "APEX1" "APEX1_HUMAN" 5.30000019073486 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL279014" "Tchem" "Homo sapiens" +"lumefantrine" 1617 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.09 "IC50" "Inhibitory concentration against IKr potassium channel" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38827" "Tclin" "Homo sapiens" +"lumiracoxib" 1618 "Prostaglandin G/H synthase 2" "Enzyme" "Q05769" "Ptgs2" "PGH2_MOUSE" 7.4 "IC50" "Inhibition of purified mouse COX-2 assessed as inhibition of PGE2-G/PGD2-G formation preincubated for 3 mins before 2-AG substrate addition measured after 30 seconds by LC-MS-MS method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL404108" "Mus musculus" +"lumiracoxib" 1618 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 8.15 "IC50" "Inhibition of COX1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL404108" "Tclin" "Homo sapiens" +"lumiracoxib" 1618 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.49 "Ki" "Inhibition of human COX2 preincubated before addition of [1-14C]arachidonic acid" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL404108" "http://www.ncbi.nlm.nih.gov/pubmed/15017615" "INHIBITOR" "Tclin" "Homo sapiens" +"lysergide" 1621 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 8.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=17" "AGONIST" "Rattus norvegicus" +"lysergide" 1621 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 8.7 "Ki" "Binding affinity towards rat 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL263881" "Rattus norvegicus" +"lysergide" 1621 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.13 "Ki" "Binding affinity towards Beta-2 adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL263881" "Tclin" "Homo sapiens" +"lysergide" 1621 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.85 "Ki" "Binding affinity towards Beta-1 adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL263881" "Tclin" "Homo sapiens" +"lysergide" 1621 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 8.05 "Ki" "Binding affinities towards 5-hydroxytryptamine 5A receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL263881" "Tchem" "Homo sapiens" +"lysergide" 1621 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2a|Htr2b|Htr2c" "5HT2A_RAT|5HT2B_RAT|5HT2C_RAT" 8.6 "Ki" "Compound was tested for binding affinity towards 5-hydroxytryptamine 2 receptor from frontal cortical regions of male Sprague-Dawley rat homogenates, using [3H]ketanserin as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL263881" "Rattus norvegicus" +"lysergide" 1621 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.25 "Ki" "Binding affinity towards Dopamine receptor D4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL263881" "Tchem" "Homo sapiens" +"lysergide" 1621 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 8.41 "Ki" "Binding affinity towards 5-hydroxytryptamine 1D receptor alpha using [3H]8-OH-DPAT as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL263881" "Tclin" "Homo sapiens" +"lysergide" 1621 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.81 "Ki" "Binding affinity towards Histamine H1 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL263881" "Tclin" "Homo sapiens" +"lysergide" 1621 "D(1A) dopamine receptor" "GPCR" "Q61616" "Drd1" "DRD1_MOUSE" 6.74 "Ki" "Binding affinities towards Dopamine receptor D1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL263881" "Mus musculus" +"lysergide" 1621 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 8.3 "Ki" "Affinity in displacing [3H]8-OH-DPAT from rat hippocampal 5-HT1A receptor." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL263881" "Rattus norvegicus" +"lysergide" 1621 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 7.03 "Ki" "Binding affinity towards 5-hydroxytryptamine 1E receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL263881" "Tchem" "Homo sapiens" +"lysergide" 1621 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 6.47 "Ki" "Binding affinity towards Dopamine receptor D5" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL263881" "Tchem" "Homo sapiens" +"lysergide" 1621 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 8.52 "Kd" "GRAC: human 5-HT7 radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL263881" "Tclin" "Homo sapiens" +"lysergide" 1621 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 8.42 "Ki" "Compound was tested for binding affinity towards 5-hydroxytryptamine 1C receptor from frontal cortical regions of male Sprague-Dawley rat homogenates, using [3H]mesulergine as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL263881" "Rattus norvegicus" +"lysergide" 1621 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.52 "Ki" "Binding affinity towards 5-hydroxytryptamine 2B receptor using [125I]DOI as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL263881" "Tclin" "Homo sapiens" +"lysergide" 1621 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 8.46 "Ki" "In vitro binding to 5-hydroxytryptamine 2A receptor using [125 I]-DOI" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL263881" "Rattus norvegicus" +"lysergide" 1621 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.9 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"lysergide" 1621 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 8.4 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"lysergide" 1621 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.3 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"lysergide" 1621 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.12 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"lysergide" 1621 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.8558 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"lysergide" 1621 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.9788 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"lysine" 1622 "Glutathione reductase, mitochondrial" "Enzyme" "P00390" "GSR" "GSHR_HUMAN" 4.26 "Ki" "Competitive inhibition of human erythrocyte Glutathione reductase using GSSG substrate by Lineweaver-Burk plot analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL8085" "Tclin" "Homo sapiens" +"mafenide" 1624 "Carbonic anhydrase" "Unclassified" "C0IX24" "CA2" "C0IX24_9CNID" 6.29 "Ki" "Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL419" "Stylophora pistillata" +"mafenide" 1624 "Delta carbonic anhydrase" "Unclassified" "Q5U9J1" "ca1" "Q5U9J1_THAWE" 6.37 "Ki" "Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL419" "Thalassiosira weissflogii" +"mafenide" 1624 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 4.56 "Ki" "Inhibitory activity against human recombinant mitochondrial isozyme CA VA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL419" "Tclin" "Homo sapiens" +"mafenide" 1624 "Carbonic anhydrase" "Enzyme" "P53615" "NCE103" "CAN_YEAST" 6.36 "Ki" "Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL419" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"mafenide" 1624 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 6.77 "Ki" "Inhibitory activity against human carbonic anhydrase II (hCA II) by using esterase assay method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL419" "Tclin" "Homo sapiens" +"mafenide" 1624 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 5.49 "Ki" "Inhibitory constant against human carbonic anhydrase XIV in CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL419" "Tclin" "Homo sapiens" +"mafenide" 1624 "Carbonic anhydrase" "Enzyme" "Q50565" "Q50565_METTH" 4.55 "Ki" "Inhibitory activity against beta carbonic anhydrase (Cab) from Methanobacterium thermoautotrophicum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL419" "Methanothermobacter thermautotrophicus (strain ATCC 29096 / DSM 1053 / JCM 10044 / NBRC 100330 / Delta H)" +"mafenide" 1624 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 7.12 "Ki" "Ki value against human carbonic anhydrase VII" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL419" "Tclin" "Homo sapiens" +"mafenide" 1624 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 7.39 "Ki" "Inhibitory activity against murine carbonic anhydrase XIII (mCA XIII) by using CO2 hydrase assay method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL419" "Mus musculus" +"mafenide" 1624 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 9.52 "Ki" "Inhibitory constant against catalytic domain of human carbonic anhydrase XII" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL419" "Tclin" "Homo sapiens" +"mafenide" 1624 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 6.99 "Ki" "Inhibitory activity against human carbonic anhydrase IX (hCA IX) by using CO2 hydrase assay method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL419" "Tclin" "Homo sapiens" +"mafenide" 1624 "Carbonic anhydrase" "Enzyme" "O24855" "cynT" "CYNT_HELPY" 6.08 "Ki" "Inhibition of Helicobacter pylori recombinant CA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL419" "Helicobacter pylori (strain ATCC 700392 / 26695)" +"mafenide" 1624 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 6.01 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL419" "Mus musculus" +"mafenide" 1624 "Alpha carbonic anhydrase" "Unclassified" "B5SU02" "CA" "B5SU02_9CNID" 7.08 "Ki" "Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL419" "Stylophora pistillata" +"mafenide" 1624 "Probable transmembrane carbonic anhydrase (Carbonate dehydratase) (Carbonic dehydratase); Transmembrane carbonic anhydrase" "Enzyme" "P96878" "P96878_MYCTU" 5.13 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3273 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL419" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"mafenide" 1624 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.55 "Ki" "Inhibition of cloned isozyme, human carbonic anhydrase IV" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL419" "Tclin" "Homo sapiens" +"mafenide" 1624 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 6.77 "Ki" "Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL419" "Tclin" "Homo sapiens" +"mafenide" 1624 "Astrosclerin-3" "Unclassified" "A6YCJ1" "A6YCJ1_9METZ" 6.01 "Ki" "Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL419" "Astrosclera willeyana" +"mafenide" 1624 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 4.91 "Ki" "Inhibitory activity against human recombinant mitochondrial isozyme CA VB" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL419" "Tclin" "Homo sapiens" +"mafenide" 1624 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 6.77 "Ki" "Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL419" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"mafenide" 1624 "Carbonic anhydrase" "Enzyme" "P40881" "CAH_METTE" 6.46 "Ki" "Inhibitory activity against alpha carbonic anhydrase (Zn-Cam) from Methanosarcina thermophila" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL419" "Methanosarcina thermophila" +"mafenide" 1624 "Beta-carbonic anhydrase 1" "Enzyme" "P9WPJ7" "mtcA1" "MTCA1_MYCTU" 5.06 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase 1 encoded by Rv1284 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL419" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"mafenide" 1624 "Carbonic anhydrase 2" "Enzyme" "P9WPJ9" "mtcA2" "MTCA2_MYCTU" 4.51 "Ki" "Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL419" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"mafenide" 1624 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 5.32 "Ki" "Inhibition of full length human recombinant CA VI" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL419" "Tclin" "Homo sapiens" +"mafenide" 1624 "Carbonic anhydrase 4" "Enzyme" "Q95323" "CA4" "CAH4_BOVIN" 5.55 "Ki" "Inhibition of bovine membrane bound isozyme carbonic anhydrase IV isolated from microsomes at 20 degree C" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL419" "Bos taurus" +"mafenide" 1624 "Dihydropteroate synthase" "Enzyme" "P0AC13" "folP" "DHPS_ECOLI" "Mechanism of Action; CHEMBL2364668; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL419" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL419" "INHIBITOR" "Escherichia coli (strain K12)" +"mafenide" 1624 "Carbonic anhydrase" "Unclassified" "Q5TU56" "Q5TU56_ANOGA" 4.87 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL419" "Anopheles gambiae" +"mafenide" 1624 "Carbonic anhydrase" "Enzyme" "Q6FTL6" "Q6FTL6_CANGA" 6.06 "Ki" "Inhibition of recombinant full length Candida glabrata NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL419" "Candida glabrata (strain ATCC 2001 / CBS 138 / JCM 3761 / NBRC 0622 / NRRL Y-65)" +"malathion" 1626 "Melatonin receptor type 1A" "GPCR" "P48039" "MTNR1A" "MTR1A_HUMAN" 9.537602002 "Ki" "PDSP" "Tclin" "Homo sapiens" +"malathion" 1626 "Acetylcholinesterase" "Enzyme" "A2PZ98" "Ace1" "A2PZ98_9NEOP" "Mechanism of Action; CHEMBL2362988; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200468" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200468" "INHIBITOR" "Pediculus humanus capitis" +"manidipine" 1631 "Voltage-gated L-type calcium channel" "Ion channel" "Q01668|Q13936" "CACNA1C|CACNA1D" "CAC1C_HUMAN|CAC1D_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/8287905" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"manidipine" 1631 "Cruzipain" "Enzyme" "P25779" "CYSP_TRYCR" 5.22 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1085699" "Trypanosoma cruzi" +"maprotiline" 1634 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.23657178878784 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"maprotiline" 1634 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.164943898 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"maprotiline" 1634 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.364315237 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"maprotiline" 1634 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.669586227 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"maprotiline" 1634 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.387216143 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"maprotiline" 1634 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.382999659 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"maprotiline" 1634 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.876148359 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"maprotiline" 1634 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.40560745 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"maprotiline" 1634 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.844663963 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"maprotiline" 1634 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.164309429 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"maprotiline" 1634 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"maprotiline" 1634 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.236572006 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"maprotiline" 1634 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.93930216 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"maprotiline" 1634 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.354577731 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"maprotiline" 1634 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.709965389 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"maprotiline" 1634 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.045757491 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"maprotiline" 1634 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 8.27 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21731" "INHIBITOR" "Tclin" "Homo sapiens" +"maprotiline" 1634 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"maprotiline" 1634 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"maprotiline" 1634 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 5.8539 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"maprotiline" 1634 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.7773 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"maprotiline" 1634 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 6.3675 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"maprotiline" 1634 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.2976 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"maprotiline" 1634 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 9.854 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"maprotiline" 1634 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.9208 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"maprotiline" 1634 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.1772 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"maprotiline" 1634 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.308 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"maprotiline" 1634 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 6.25 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21731" "Rattus norvegicus" +"maprotiline" 1634 "G protein-activated inward rectifier potassium channel 2" "Ion channel" "P48542" "Kcnj6" "KCNJ6_MOUSE" 4 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2402" "BLOCKER" "Mus musculus" +"maraviroc" 1635 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 4.76 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201187" "Tchem" "Homo sapiens" +"maraviroc" 1635 "C-C chemokine receptor type 5" "GPCR" "P51681" "CCR5" "CCR5_HUMAN" 7.6 "Kd" "Binding affinity to CCR5" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201187" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201187" "ANTAGONIST" "Tclin" "Homo sapiens" +"maraviroc" 1635 "C-C chemokine receptor type 5" "GPCR" "P61813" "CCR5" "CCR5_MACMU" 9.62 "Ki" "Displacement of [125I]-MIP-1alpha from CCR5 in rhesus monkey Chem-1 cell membranes after 120 mins by liquid scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201187" "Macaca mulatta" +"masoprocol" 1637 "Arachidonate 5-lipoxygenase" "Enzyme" "P48999" "Alox5" "LOX5_MOUSE" 6.4 "IC50" "Inhibition of 5-LOX in calcium ionophore A23187-stimulated NMRI mouse macrophage assessed as inhibition of LTC4 production preincubated for 60 mins before stimulation measured after 2 hrs by ELISA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL52" "Mus musculus" +"masoprocol" 1637 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 6.96 "IC50" "Inhibitory concentration against isolated rabbit reticulocyte 15-lipoxygenase measured in the presence of linoleic acid" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL52" "Oryctolagus cuniculus" +"masoprocol" 1637 "Arachidonate 5-lipoxygenase" "Enzyme" "P12527" "Alox5" "LOX5_RAT" 8 "IC50" "Inhibition of 5-lipoxygenase from rat basophilic leukemia(RBL-1) cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL52" "Rattus norvegicus" +"masoprocol" 1637 "Seed linoleate 13S-lipoxygenase-1" "Enzyme" "P08170" "LOX1.1" "LOX1_SOYBN" 6.74 "IC50" "Inhibitory activity against soybean 1-lipoxygenase (SLO)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL52" "Glycine max" +"masoprocol" 1637 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" 7.6 "IC50" "Inhibition of recombinant human 5-LOX in human PBML assessed as inhibition of A23187-induced LTB4 production preincubated for 15 mins measured after 15 mins by enzyme immunoassay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL52" "Tclin" "Homo sapiens" +"masoprocol" 1637 "Arachidonate 15-lipoxygenase, type II" "Enzyme" "O15296" "ALOX15B" "LX15B_HUMAN" 4.96 "IC50" "Inhibition of 15-hLO2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL52" "Tchem" "Homo sapiens" +"masoprocol" 1637 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 4.41 "IC50" "Transcriptional activity at human androgen receptor BF3 site stably transfected in eGFP-expressing human LNCAP cells after 5 days by fluorometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL52" "Tclin" "Homo sapiens" +"masoprocol" 1637 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 7.96 "IC50" "Inhibition of human placental microsome CYP19" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL52" "Tclin" "Homo sapiens" +"masoprocol" 1637 "5-lipoxygenase" "Enzyme" "Q9BEG3" "Q9BEG3_BOVIN" 6.4 "IC50" "Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL)." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL52" "Bos taurus" +"masoprocol" 1637 "Arachidonate 12-lipoxygenase, 12S-type" "Enzyme" "P18054" "ALOX12" "LOX12_HUMAN" 6.96 "IC50" "Inhibition of human platelet-type 12-lipoxygenase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL52" "Tchem" "Homo sapiens" +"masoprocol" 1637 "Arachidonate 15-lipoxygenase" "Enzyme" "P16050" "ALOX15" "LOX15_HUMAN" 6.96 "IC50" "Inhibitory activity against human reticulocyte 15-lipoxygenase (15-HLO)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL52" "Tchem" "Homo sapiens" +"masoprocol" 1637 "Cyclooxygenase" "Enzyme" "O62664|O62698" "PTGS1|PTGS2" "PGH1_BOVIN|PGH2_BOVIN" 4.85 "IC50" "In vitro inhibition of Prostaglandin G/H synthase in BSV cell line." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL52" "Bos taurus" +"masoprocol" 1637 "Prostaglandin G/H synthase 1" "Enzyme" "O62664" "PTGS1" "PGH1_BOVIN" 4.3 "IC50" "Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL52" "Bos taurus" +"masoprocol" 1637 "Insulin-like growth factor 1 receptor" "Kinase" "P08069" "IGF1R" "IGF1R_HUMAN" 6.05 "IC50" "Inhibition of IGF1R" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL52" "Tclin" "Homo sapiens" +"masoprocol" 1637 "Leukotriene B4 receptor 1" "GPCR" "Q15722" "LTB4R" "LT4R1_HUMAN" 7.07 "IC50" "The compound was tested for its inhibitory activity against LTB4 in human PMN" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL52" "Tchem" "Homo sapiens" +"masoprocol" 1637 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 4.65000009536743 "IC50" "PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays: 629 (Primary screen preceding this dose response confirmation assay.)]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL52" "Tclin" "Homo sapiens" +"masoprocol" 1637 "Transthyretin" "Secreted" "P02766" "TTR" "TTHY_HUMAN" 5.1399998664856 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL52" "Tclin" "Homo sapiens" +"masoprocol" 1637 "Cytoplasmic zinc-finger protein" "Unclassified" "G5EF15" "pos-1" "G5EF15_CAEEL" 4.58 "EC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL52" "Caenorhabditis elegans" +"masoprocol" 1637 "Lipoxygenase" "Unclassified" "Q39829" "Q39829_SOYBN" 4.29 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL52" "Glycine max" +"masoprocol" 1637 "Zinc finger protein mex-5" "Cytosolic other" "Q9XUB2" "mex-5" "MEX5_CAEEL" 5.06 "EC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL52" "Caenorhabditis elegans" +"maxacalcitol" 1638 "Vitamin D3 receptor" "Transcription factor" "P13053" "Vdr" "VDR_RAT" 8.21 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2784" "AGONIST" "Rattus norvegicus" +"mazindol" 1640 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.22184896469116 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"mazindol" 1640 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 6.61 "Ki" "Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL781" "Rattus norvegicus" +"mazindol" 1640 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 8.06 "Kd" "Binding affinity to a single, sodium-dependent site on the Dopamine transporter in rat striatal membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL781" "Rattus norvegicus" +"mazindol" 1640 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.63 "IC50" "The compound was tested for affinity towards sigma-3 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL781" "Tclin" "Homo sapiens" +"mazindol" 1640 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 8 "Ki" "GRAC: human DAT selective inhibitor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL781" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL781" "INHIBITOR" "Tclin" "Homo sapiens" +"mazindol" 1640 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 9.1 "Ki" "Binding affinity against norepinephrine transporter (NET) by displacement of [3H]nisoxetine in male wistar rats" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL781" "Rattus norvegicus" +"mazindol" 1640 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 9.3 "Kd" "GRAC: human NET probe" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL781" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL781" "INHIBITOR" "Tclin" "Homo sapiens" +"mazindol" 1640 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.3 "Ki" "Displacement of [125I]- RTI-55 from Serotonin transporter expressed in HEK cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL781" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL781" "INHIBITOR" "Tclin" "Homo sapiens" +"mebendazole" 1641 "Calmodulin-domain protein kinase 1" "Kinase" "Q9BJF5" "CDPK1" "Q9BJF5_TOXGO" 6.17 "IC50" "Inhibition of Toxoplasma gondii CDPK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL685" "Toxoplasma gondii" +"mebendazole" 1641 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 5.34 "Ki" "Inhibition of human ABL by radiometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL685" "Tclin" "Homo sapiens" +"mebendazole" 1641 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 5.44 "IC50" "Inhibition of VEGFR2 after 60 mins by electrophoretic mobility shift assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL685" "Tclin" "Homo sapiens" +"mebendazole" 1641 "Tubulin" "Structural" "C4PKY4|C4PKZ2|C4PKZ6" "C4PKY4_ECHGR|C4PKZ2_ECHGR|C4PKZ6_ECHGR" "Mechanism of Action; CHEMBL2364704; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL685" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL685" "INHIBITOR" "Echinococcus granulosus" +"mebendazole" 1641 "Tubulin" "Structural" "F1L005|F1L4P8|F1L5G6|F1L7U3|F1L7Y0|F1L8A5|F1LCS0" "F1L005_ASCSU|F1L4P8_ASCSU|F1L5G6_ASCSU|F1L7U3_ASCSU|F1L7Y0_ASCSU|F1L8A5_ASCSU|F1LCS0_ASCSU" "Mechanism of Action; CHEMBL2364705; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL685" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL685" "INHIBITOR" "Ascaris suum" +"mebhydrolin" 1643 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 6.9208 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"mebhydrolin" 1643 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.7447 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mebhydrolin" 1643 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.1192 "Ki" "WOMBAT-PK" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01786" "ANTAGONIST" "Tclin" "Homo sapiens" +"mebhydrolin" 1643 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"mecamylamine" 1646 "Neuronal acetylcholine receptor; alpha3/beta4" "Ion channel" "P30926|P32297" "CHRNA3|CHRNB4" "ACHA3_HUMAN|ACHB4_HUMAN" 6.2218 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267936" "NEGATIVE ALLOSTERIC MODULATOR" "Tclin|Tclin" "Homo sapiens" +"mecamylamine" 1646 "Neuronal acetylcholine receptor; alpha4/beta4" "Ion channel" "P30926|P43681" "CHRNA4|CHRNB4" "ACHA4_HUMAN|ACHB4_HUMAN" 6.48 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3990" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"mecamylamine" 1646 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P17787|P43681" "CHRNA4|CHRNB2" "ACHA4_HUMAN|ACHB2_HUMAN" 5.6021 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin" "Homo sapiens" +"mecamylamine" 1646 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P36544" "CHRNA7" "ACHA7_HUMAN" 5.1612 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"mecamylamine" 1646 "Neuronal acetylcholine receptor subunit alpha-6" "Ion channel" "Q15825" "CHRNA6" "ACHA6_HUMAN" 4.96 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3990" "BLOCKER" "Tchem" "Homo sapiens" +"mecamylamine" 1646 "Neuronal acetylcholine receptor subunit alpha-3" "Ion channel" "P32297" "CHRNA3" "ACHA3_HUMAN" 6.41 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3990" "BLOCKER" "Tclin" "Homo sapiens" +"mecamylamine" 1646 "Neuronal acetylcholine receptor subunit alpha-4" "Ion channel" "P43681" "CHRNA4" "ACHA4_HUMAN" 6.48 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3990" "BLOCKER" "Tclin" "Homo sapiens" +"mecamylamine" 1646 "Acetylcholine receptor subunit alpha" "Ion channel" "P02708" "CHRNA1" "ACHA_HUMAN" 5.82 "IC50" "IUPHAR" "~" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3990" "BLOCKER" "Tclin" "Homo sapiens" +"mecamylamine" 1646 "Neuronal acetylcholine receptor; alpha3/beta2" "Ion channel" "P17787|P32297" "CHRNA3|CHRNB2" "ACHA3_HUMAN|ACHB2_HUMAN" 6.55000019073486 "IC50" "Inhibitory concentration against Nicotinic acetylcholine receptor alpha3-beta2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267936" "Tclin|Tclin" "Homo sapiens" +"mecamylamine" 1646 "Neuronal acetylcholine receptor; alpha2/beta4" "Ion channel" "P30926|Q15822" "CHRNA2|CHRNB4" "ACHA2_HUMAN|ACHB4_HUMAN" 5.51000022888184 "IC50" "Inhibitory concentration against Nicotinic acetylcholine receptor alpha2-beta4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267936" "Tchem|Tclin" "Homo sapiens" +"mecamylamine" 1646 "Neuronal acetylcholine receptor; alpha3/alpha6/beta2/beta3" "Ion channel" "P17787|P32297|Q05901|Q15825" "CHRNA3|CHRNA6|CHRNB2|CHRNB3" "ACHA3_HUMAN|ACHA6_HUMAN|ACHB2_HUMAN|ACHB3_HUMAN" 4.96000003814697 "IC50" "GRAC: human AChR-alpha6-alpha3-beta2-beta3 [chimera] commonly used antagonist" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267936" "Tchem|Tchem|Tclin|Tclin" "Homo sapiens" +"mecamylamine" 1646 "Acetylcholine receptor subunit alpha" "Ion channel" "P02710" "CHRNA1" "ACHA_TORCA" 6.22 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267936" "Torpedo californica" +"mechlorethamine" 1647 "DNA" "DNA" "Mechanism of Action" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL427" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL427" "OTHER" +"mecillinam" 1648 "Penicillin-binding protein 2" "Enzyme" "P0AD65" "mrdA" "PBP2_ECOLI" 7.0353 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL530" "INHIBITOR" "Escherichia coli (strain K12)" +"meclozine" 1649 "Nuclear receptor subfamily 1 group I member 3" "Nuclear hormone receptor" "Q14994" "NR1I3" "NR1I3_HUMAN" 7.16 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2757" "ANTAGONIST" "Tchem" "Homo sapiens" +"meclozine" 1649 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "Mechanism of Action; CHEMBL231; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1623" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1623" "ANTAGONIST" "Tclin" "Homo sapiens" +"meclozine" 1649 "Constitutive androstane receptor" "Unclassified" "O35627" "Nr1i3" "NR1I3_MOUSE" 7.6 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2757" "AGONIST" "Mus musculus" +"meclofenamic acid" 1650 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" 4.33 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL509" "INHIBITOR" "Tclin" "Homo sapiens" +"meclofenamic acid" 1650 "Mitogen-activated protein kinase 1" "Kinase" "P28482" "MAPK1" "MK01_HUMAN" 5.502517463 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"meclofenamic acid" 1650 "Aldo-keto reductase family 1 member C3" "Enzyme" "P42330" "AKR1C3" "AK1C3_HUMAN" 6.27 "IC50" "Inhibition of human recombinant N-terminal His6-tagged AKR1C3 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL509" "Tchem" "Homo sapiens" +"meclofenamic acid" 1650 "Prostaglandin G/H synthase 2" "Enzyme" "Q05769" "Ptgs2" "PGH2_MOUSE" 6.7 "IC50" "Inhibition of the murine wild type Prostaglandin G/H synthase 2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL509" "Mus musculus" +"meclofenamic acid" 1650 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 6.59 "Ki" "Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP low binding affinity site expressed in Escherichia coli BL21 by competitive fluorescence displacement assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL509" "Rattus norvegicus" +"meclofenamic acid" 1650 "Fatty acid-binding protein, intestinal" "Cytosolic other" "P12104" "FABP2" "FABPI_HUMAN" 5.05 "Ki" "Displacement of 1-anilinonaphthalene-8-sulphonic acid from I-FABP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL509" "Tchem" "Homo sapiens" +"meclofenamic acid" 1650 "Aldo-keto reductase family 1 member C2" "Enzyme" "P52895" "AKR1C2" "AK1C2_HUMAN" 5.06 "IC50" "Inhibition of human recombinant N-terminal His6-tagged AKR1C2 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL509" "Tchem" "Homo sapiens" +"meclofenamic acid" 1650 "Cyclooxygenase" "Enzyme" "P35355|Q63921" "Ptgs1|Ptgs2" "PGH1_RAT|PGH2_RAT" 7 "IC50" "Compound was evaluated for its inhibitory activity against CO(cyclooxygenase)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL509" "Rattus norvegicus" +"meclofenamic acid" 1650 "Arachidonate 5-lipoxygenase" "Enzyme" "P12527" "Alox5" "LOX5_RAT" 4.62 "IC50" "Compound was evaluated for its inhibitory activity against 5-LO (5-lipoxygenase)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL509" "Rattus norvegicus" +"meclofenamic acid" 1650 "Aldo-keto reductase family 1 member C1" "Enzyme" "Q04828" "AKR1C1" "AK1C1_HUMAN" 5.5 "IC50" "Inhibition of human recombinant N-terminal His6-tagged AKR1C1 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL509" "Tchem" "Homo sapiens" +"meclofenamic acid" 1650 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 7.3 "IC50" "Inhibition of the ovine Prostaglandin G/H synthase 1 was determined by thin-layer chromatography assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL509" "Ovis aries" +"meclofenamic acid" 1650 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 6.66 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL509" "INHIBITOR" "Tclin" "Homo sapiens" +"meclofenamic acid" 1650 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.7 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL509" "INHIBITOR" "Tclin" "Homo sapiens" +"meclofenamic acid" 1650 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 4.19 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"meclofenamic acid" 1650 "Transthyretin" "Secreted" "P02766" "TTR" "TTHY_HUMAN" 4.3 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL509" "Tclin" "Homo sapiens" +"medazepam" 1654 "GABA-A receptor; anion channel" "Ion channel" "O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14" "Gabra1|Gabra2|Gabra3|Gabra4|Gabra5|Gabra6|Gabrb1|Gabrb2|Gabrb3|Gabrd|Gabre|Gabrg1|Gabrg2|Gabrg3|Gabrp|Gabrq" "GBRA1_RAT|GBRA2_RAT|GBRA3_RAT|GBRA4_RAT|GBRA5_RAT|GBRA6_RAT|GBRB1_RAT|GBRB2_RAT|GBRB3_RAT|GBRD_RAT|GBRE_RAT|GBRG1_RAT|GBRG2_RAT|GBRG3_RAT|GBRP_RAT|Q91ZM7_RAT" 6.28 "Ki" "In vitro binding affinity against benzodiazepine receptor using [3H]diazepam as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL28333" "Rattus norvegicus" +"medetomidine" 1655 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 7.72 "Ki" "Tested for its binding affinity against alpha-2 receptor in rat brain membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL77921" "Rattus norvegicus" +"medetomidine" 1655 "Adrenergic receptor alpha-2" "GPCR" "P08913|P18089|P18825" "ADRA2A|ADRA2B|ADRA2C" "ADA2A_HUMAN|ADA2B_HUMAN|ADA2C_HUMAN" 8.52 "EC50" "Tested for its inhibitory activity against alpha-2 adrenoceptor in guinea pig ileum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL77921" "Tclin|Tclin|Tclin" "Homo sapiens" +"medetomidine" 1655 "Adrenergic receptor alpha-1" "GPCR" "P25100|P35348|P35368" "ADRA1A|ADRA1B|ADRA1D" "ADA1A_HUMAN|ADA1B_HUMAN|ADA1D_HUMAN" 5.93 "EC50" "Tested for its inhibitory activity against alpha-1 adrenoceptor in guinea pig ileum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL77921" "Tclin|Tclin|Tclin" "Homo sapiens" +"medetomidine" 1655 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 5.96 "Ki" "Alpha-1 adrenergic receptor binding affinity in rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL77921" "Rattus norvegicus" +"medroxalol" 1658 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 6.08 "pA2" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"medroxalol" 1658 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 7.82 "pA2" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"medroxyprogesterone" 1659 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 9.59 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL717" "AGONIST" "Tclin" "Homo sapiens" +"medroxyprogesterone" 1659 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 5.698970004 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"medroxyprogesterone" 1659 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 7.031517051 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"medroxyprogesterone" 1659 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 4.56141019 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"medroxyprogesterone" 1659 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 8.2 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"medroxyprogesterone" 1659 "Aldo-keto reductase family 1 member C3" "Enzyme" "P42330" "AKR1C3" "AK1C3_HUMAN" 6.52 "IC50" "Inhibition of recombinant AKR1C3 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL717" "Tchem" "Homo sapiens" +"medroxyprogesterone" 1659 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 6.2 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL717" "Tchem" "Homo sapiens" +"medroxyprogesterone" 1659 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 7.88 "Ki" "Inhibition of Dexamethasone binding to human glucocorticoid receptor expressed in baculovirus SF-12 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL717" "Tclin" "Homo sapiens" +"medroxyprogesterone" 1659 "Aldo-keto reductase family 1 member C1" "Enzyme" "Q04828" "AKR1C1" "AK1C1_HUMAN" 5.74 "IC50" "Inhibition of human recombinant AKR1C1 expressed in Escherichia coli assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL717" "Tchem" "Homo sapiens" +"medroxyprogesterone" 1659 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 5.92 "IC50" "Inhibitory activity against human Mineralocorticoid receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL717" "Tclin" "Homo sapiens" +"medroxyprogesterone" 1659 "Estrogen receptor" "Nuclear hormone receptor" "P03372|Q92731" "ESR1|ESR2" "ESR1_HUMAN|ESR2_HUMAN" 6.03 "IC50" "Inhibition of binding to human estrogen receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL717" "Tclin|Tclin" "Homo sapiens" +"medroxyprogesterone" 1659 "Aldo-keto reductase family 1 member C2" "Enzyme" "P52895" "AKR1C2" "AK1C2_HUMAN" 5.39 "IC50" "Inhibition of recombinant AKR1C2 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL717" "Tchem" "Homo sapiens" +"medroxyprogesterone" 1659 "Androgen receptor" "Transcription factor" "P19091" "Ar" "ANDR_MOUSE" 8.21 "EC50" "Effective concentration against Androgen receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL717" "Mus musculus" +"medroxyprogesterone" 1659 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 7.45 "IC50" "Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL717" "Rattus norvegicus" +"medrysone" 1662 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action; CHEMBL2034; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201173" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201173" "AGONIST" "Tclin" "Homo sapiens" +"mefenamic acid" 1663 "Aldo-keto reductase family 1 member C3" "Enzyme" "P42330" "AKR1C3" "AK1C3_HUMAN" 6.52 "Ki" "Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL686" "Tchem" "Homo sapiens" +"mefenamic acid" 1663 "Aldo-keto reductase family 1 member C2" "Enzyme" "P52895" "AKR1C2" "AK1C2_HUMAN" 6.66 "Ki" "Inhibition of human recombinant AKR1C2 assessed as 1-acenaphthenol oxidation by spectrophotometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL686" "Tchem" "Homo sapiens" +"mefenamic acid" 1663 "Acetylcholinesterase" "Enzyme" "P04058" "ache" "ACES_TORCA" 5.21 "IC50" "Inhibition of Torpedo californica eel AChE using acetylthiocholine/DTNB as substrate assessed as ROS-induced enzyme inactivation preincubated for 10 mins followed by substrate addition measured every 30 secs for 20 mins in presence of horseradish peroxidase and H2O2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL686" "Torpedo californica" +"mefenamic acid" 1663 "Aldo-keto reductase family 1 member C1" "Enzyme" "Q04828" "AKR1C1" "AK1C1_HUMAN" 6.09 "Ki" "Inhibition of human recombinant AKR1C1 assessed as 1-acenaphthenol oxidation by spectrophotometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL686" "Tchem" "Homo sapiens" +"mefenamic acid" 1663 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 4.78 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL686" "INHIBITOR" "Tclin" "Homo sapiens" +"mefenamic acid" 1663 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.83 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL686" "INHIBITOR" "Tclin" "Homo sapiens" +"mefenamic acid" 1663 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.301 "EC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"mefenamic acid" 1663 "Aldo-keto reductase family 1 member B10" "Enzyme" "O60218" "AKR1B10" "AK1BA_HUMAN" 5.80000019073486 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL686" "Tchem" "Homo sapiens" +"mefenamic acid" 1663 "Aldose reductase" "Enzyme" "P15121" "AKR1B1" "ALDR_HUMAN" 4.1100001335144 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL686" "Tclin" "Homo sapiens" +"mefloquine" 1665 "Protein kinase Pfmrk" "Unclassified" "P90584" "Pfmrk" "P90584_PLAFA" 4.92 "IC50" "Inhibition of Plasmodium falciparum cyclin-dependent kinase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL416956" "Plasmodium falciparum" +"mefloquine" 1665 "Hemoglobin subunit alpha" "Secreted" "P69905" "HBA1" "HBA_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"mefloquine" 1665 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"mefloquine" 1665 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.25 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mefloquine" 1665 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 6.90999984741211 "Ki" "Binding affinity to human adenosine A2A receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL416956" "Tclin" "Homo sapiens" +"mefloquine" 1665 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 5.90999984741211 "Ki" "Binding affinity to human adenosine A1 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL416956" "Tclin" "Homo sapiens" +"mefloquine" 1665 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 5.59999990463257 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL416956" "Tclin" "Homo sapiens" +"megestrol acetate" 1667 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00351" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201139" "AGONIST" "Tclin" "Homo sapiens" +"megestrol acetate" 1667 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.057000407 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"megestrol acetate" 1667 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"megestrol acetate" 1667 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 7.698970004 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"megestrol acetate" 1667 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 8.841637508 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"megestrol acetate" 1667 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"meglutol" 1670 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P04035" "HMGCR" "HMDH_HUMAN" 7.63 "Ki" "Inhibitory constant against HMG-CoA reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50444" "Tclin" "Homo sapiens" +"melatonin" 1672 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=224" "ANTAGONIST" "Tclin" "Homo sapiens" +"melatonin" 1672 "Ribosyldihydronicotinamide dehydrogenase [quinone]" "Enzyme" "P16083" "NQO2" "NQO2_HUMAN" 7.56 "Ki" "Ability to inhibit 2-[125I]iodomelatonin specific binding to melatonin receptor 3 (MT3) of Syrian hamster brain." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL45" "Tchem" "Homo sapiens" +"melatonin" 1672 "Melatonin receptor" "GPCR" "P49285|P49288|P51050" "MTR1A_CHICK|MTR1B_CHICK|MTR1C_CHICK" 9.75 "Ki" "Effect of compound on Melatonin receptor in chicken brain in the presence of MnCl2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL45" "Gallus gallus" +"melatonin" 1672 "Melatonin receptor type 1B" "GPCR" "P51050" "MTR1B_CHICK" 9.15 "Ki" "Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]iodomelatonin as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL45" "Gallus gallus" +"melatonin" 1672 "Nuclear receptor ROR-alpha" "Nuclear hormone receptor" "P35398" "RORA" "RORA_HUMAN" 9 "EC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"melatonin" 1672 "Melatonin receptor type 1B" "GPCR" "P49286" "MTNR1B" "MTR1B_HUMAN" 9.7 "EC50" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=224" "AGONIST" "Tclin" "Homo sapiens" +"melatonin" 1672 "Melatonin receptor type 1A" "GPCR" "P48039" "MTNR1A" "MTR1A_HUMAN" 9.4 "EC50" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=224" "AGONIST" "Tclin" "Homo sapiens" +"meloxicam" 1676 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.85 "IC50" "In vitro for its inhibitory activity against human whole blood Prostaglandin G/H synthase 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL599" "Tclin" "Homo sapiens" +"meloxicam" 1676 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.8 "IC50" "Concentration that caused a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 2 activity as measured by PGE-2 production." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL599" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL599" "INHIBITOR" "Tclin" "Homo sapiens" +"melperone" 1677 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.67778062820435 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"melperone" 1677 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 5.46852111816406 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"melperone" 1677 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.65757751464844 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"melperone" 1677 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.35654735565186 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"melperone" 1677 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.619788646698 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"melperone" 1677 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 6.3872 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"melperone" 1677 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"melperone" 1677 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.2366 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"melperone" 1677 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.063 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"melperone" 1677 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 6.74 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"melperone" 1677 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.7167 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"melperone" 1677 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"melperone" 1677 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.82 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"melperone" 1677 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.9788 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"melphalan" 1678 "L-type amino acid transporter 1" "Unclassified" "Q63016" "Slc7a5" "LAT1_RAT" 4.26 "Ki" "Inhibition of LAT1-mediated L-[14C]leucine uptake in Sprague-Dawley rat brain by duel-labeled liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL852" "Rattus norvegicus" +"melphalan" 1678 "DNA" "DNA" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/207155s000lbl.pdf" "CROSS-LINKING AGENT" +"memantine" 1679 "Glutamate receptor ionotropic, NMDA 3A" "Ion channel" "Q8TCU5" "GRIN3A" "NMD3A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL807" "NEGATIVE ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"memantine" 1679 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.57 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL807" "Tchem" "Homo sapiens" +"memantine" 1679 "Glutamate receptor ionotropic, NMDA 2C" "Ion channel" "Q00961" "Grin2c" "NMDE3_RAT" 6.15 "Ki" "Compound with the N-methyl-D-aspartate glutamate receptor blocking activity" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL807" "Rattus norvegicus" +"memantine" 1679 "Glutamate NMDA receptor; GRIN1/GRIN2B" "Ion channel" "Q05586|Q13224" "GRIN1|GRIN2B" "NMDE2_HUMAN|NMDZ1_HUMAN" 5.26 "IC50" "Inhibition of dexamethasone-induced human NR1-1a/NR2B receptor-mediated excitotoxicity in (S)-glutamate/glycine-stimulated mouse L13-E6 cells assessed as LDH release after 30 mins" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL807" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL807" "NEGATIVE ALLOSTERIC MODULATOR" "Tclin|Tclin" "Homo sapiens" +"memantine" 1679 "Glutamate NMDA receptor; GRIN1/GRIN2A" "Ion channel" "Q05586|Q12879" "GRIN1|GRIN2A" "NMDE1_HUMAN|NMDZ1_HUMAN" 9.02 "IC50" "Antagonist activity at recombinant GluN1/GluN2A receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of glycine/glutamate-induced inward current at -70mV by two-electrode voltage clamp assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL807" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL807" "NEGATIVE ALLOSTERIC MODULATOR" "Tclin|Tclin" "Homo sapiens" +"memantine" 1679 "Glutamate receptor ionotropic, NMDA 1" "Ion channel" "Q05586" "GRIN1" "NMDZ1_HUMAN" 5.02 "IC50" "Inhibition of NMDA NR1/NR2B receptor expressed in xenopus oocytes assessed as inhibition of NMDA and glycine-induced current response by two-electrode voltage clamp assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL807" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL807" "NEGATIVE ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"memantine" 1679 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"menadione" 1683 "Trypanothione reductase" "Enzyme" "P28593" "TPR" "TYTR_TRYCR" 4.26 "IC50" "Concentration required for inhibition of Trypanothione reductase (TcTR) from Trypanosoma cruzi in the presence of 50 uM TS2 as substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL590" "Trypanosoma cruzi" +"menadione" 1683 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 4.59 "Ki" "Competitive inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using p-tyramine as substrate by Lineweaver-Burk plot analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL590" "Tclin" "Homo sapiens" +"menadione" 1683 "Glutathione reductase, mitochondrial" "Enzyme" "P00390" "GSR" "GSHR_HUMAN" 4.92 "Ki" "Inhibitory concentration against human glutathione reductase (In presence of glutathione disulfide)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL590" "Tclin" "Homo sapiens" +"menadione" 1683 "Dual specificity phosphatase Cdc25C" "Enzyme" "P30307" "CDC25C" "MPIP3_HUMAN" 4.73 "IC50" "Inhibitory concentration for human cell division cycle 25 degree C phosphatase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL590" "Tchem" "Homo sapiens" +"menadione" 1683 "M-phase inducer phosphatase 2" "Enzyme" "P30305" "CDC25B" "MPIP2_HUMAN" 5.66 "IC50" "Inhibition of MBP-fused recombinant wild type CDC25B3 using fluorescein 3,6 diphosphate as substrate measured for 30 mins in presence of 1 mM dithiothreitol" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL590" "Tchem" "Homo sapiens" +"menadione" 1683 "Dual specificity protein phosphatase 6" "Unclassified" "Q64346" "Dusp6" "DUS6_RAT" 4.69 "IC50" "Inhibition of histidine-tagged rat recombinant MKP3 catalytic domain expressed in Escherichia coli BL21(DE3)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL590" "Rattus norvegicus" +"menadione" 1683 "Ubiquitin carboxyl-terminal hydrolase isozyme L3" "Enzyme" "P15374" "UCHL3" "UCHL3_HUMAN" 4.15 "IC50" "Inhibition of UCHL3 in human H1299 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL590" "Tchem" "Homo sapiens" +"menadione" 1683 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 6.4 "Ki" "Competitive inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using benzylamine as substrate by Lineweaver-Burk plot analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL590" "Tclin" "Homo sapiens" +"menadione" 1683 "Dual specificity protein phosphatase 1" "Unclassified" "P28563" "Dusp1" "DUS1_MOUSE" 4.62 "IC50" "Inhibition of histidine-tagged mouse MKP1 catalytic domain expressed in human Hela cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL590" "Mus musculus" +"menadione" 1683 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P14902" "IDO1" "I23O1_HUMAN" 6 "IC50" "Inhibition of purified human recombinant IDO" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL590" "Tchem" "Homo sapiens" +"menadione sodium bisulfite" 1684 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 4.09 "IC50" "Inhibitory activity measured against rat lens aldose reductase using 3-pyridinecarboxaldehyde as substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2107211" "Rattus norvegicus" +"menatetrenone" 1685 "Cruzipain" "Enzyme" "P25779" "CYSP_TRYCR" 4.74 "IC50" "Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in absence of Triton X-100" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL259223" "Trypanosoma cruzi" +"pecazine" 1688 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.262807357 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pecazine" 1688 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.119186408 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pecazine" 1688 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.730253627 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pecazine" 1688 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.958607315 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pecazine" 1688 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.485452247 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pecazine" 1688 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.586700236 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pecazine" 1688 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.069050969 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"pecazine" 1688 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.742321425 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pecazine" 1688 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.166852888 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pecazine" 1688 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.504455662 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pecazine" 1688 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.721246399 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pecazine" 1688 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.696803943 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pecazine" 1688 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.397940009 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pecazine" 1688 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.721246399 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pecazine" 1688 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.552841969 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pecazine" 1688 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.236572006 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pecazine" 1688 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.468521083 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"pecazine" 1688 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.411168274 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"pecazine" 1688 "FAD-linked sulfhydryl oxidase ALR" "Enzyme" "P55789" "GFER" "ALR_HUMAN" 7.01000022888184 "AC50" "PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL395110" "Tchem" "Homo sapiens" +"pecazine" 1688 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 6.84 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL395110" "Rattus norvegicus" +"mepenzolate" 1689 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.19 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1724" "Tchem" "Homo sapiens" +"mepenzolate" 1689 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 9.17 "Ki" "Displacement of [3H]NMS from human M2R expressed in CHOK1 cells after 2 hrs by scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1724" "Tclin" "Homo sapiens" +"mepenzolate" 1689 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 8.59 "Ki" "Displacement of [3H]NMS from human M3R expressed in CHOK1 cells after 2 hrs by scintillation counting analysis" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1724" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1724" "ANTAGONIST" "Tclin" "Homo sapiens" +"mepenzolate" 1689 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "Mechanism of Action; CHEMBL216; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1724" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1724" "ANTAGONIST" "Tclin" "Homo sapiens" +"pethidine" 1690 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 6.39 "Ki" "Displacement of [3H]paroxetine from serotonin transporter (SERT)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL607" "Rattus norvegicus" +"pethidine" 1690 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 4.75 "Ki" "Displacement of [3H]WIN-35428 from dopamine transporter (DAT)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL607" "Rattus norvegicus" +"pethidine" 1690 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 6.04 "Ki" "Inhibition of [3H]DAMGO binding to mu-opioid receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL607" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL607" "AGONIST" "Tclin" "Homo sapiens" +"pethidine" 1690 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.49 "IC50" "Inhibitory concentration against potassium channel HERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL607" "Tclin" "Homo sapiens" +"pethidine" 1690 "Mu-type opioid receptor" "GPCR" "P97266" "OPRM1" "OPRM_CAVPO" 6.35 "Ki" "Binding affinity against mu opioid receptor was determined in brain membrane preparations from male Hartley guinea-pigs" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL607" "Cavia porcellus" +"pethidine" 1690 "Opioid receptor" "GPCR" "O55242|P32300|P33534|P42866" "Oprd1|Oprk1|Oprm1|Sigmar1" "OPRD_MOUSE|OPRK_MOUSE|OPRM_MOUSE|SGMR1_MOUSE" 6.3 "IC50" "Tested for displacement of radioligand [3H]-Naloxone from opiate receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL607" "Mus musculus" +"pethidine" 1690 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprk1|Oprm1|Sigmar1" "OPRD_RAT|OPRK_RAT|OPRM_RAT|SGMR1_RAT" 6.15 "EC50" "Displacement of radiolabeled dihydromorphine from opioid receptor in rat brain homogenates" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL607" "Rattus norvegicus" +"pethidine" 1690 "Glutamate receptor ionotropic, NMDA 3A" "Ion channel" "Q8TCU5" "GRIN3A" "NMD3A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"pethidine" 1690 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.6253 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"pethidine" 1690 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"mephentermine" 1694 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB01365" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200996" "AGONIST" "Tclin" "Homo sapiens" +"mephenytoin" 1695 "Sodium channel alpha subunit" "Ion channel" "P35498|P35499|Q01118|Q14524|Q15858|Q99250|Q9NY46|Q9UI33|Q9UQD0|Q9Y5Y9" "SCN10A|SCN11A|SCN1A|SCN2A|SCN3A|SCN4A|SCN5A|SCN7A|SCN8A|SCN9A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN|SCN4A_HUMAN|SCN5A_HUMAN|SCN7A_HUMAN|SCN8A_HUMAN|SCN9A_HUMAN|SCNAA_HUMAN|SCNBA_HUMAN" "Mechanism of Action; CHEMBL2331043; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL861" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL861" "BLOCKER" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"methylphenobarbital" 1696 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRB3|GABRG2" "GBRA1_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" "Tclin|Tclin|Tclin" "Homo sapiens" +"mepivacaine" 1700 "Sodium channel protein type 9 subunit alpha" "Ion channel" "Q15858" "SCN9A" "SCN9A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1087" "BLOCKER" "Tclin" "Homo sapiens" +"mepivacaine" 1700 "Sodium channel protein type 8 subunit alpha" "Ion channel" "Q9UQD0" "SCN8A" "SCN8A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1087" "BLOCKER" "Tclin" "Homo sapiens" +"mepivacaine" 1700 "Sodium channel protein type 4 subunit alpha" "Ion channel" "P35499" "SCN4A" "SCN4A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1087" "BLOCKER" "Tclin" "Homo sapiens" +"mepivacaine" 1700 "Sodium channel protein type 3 subunit alpha" "Ion channel" "Q9NY46" "SCN3A" "SCN3A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1087" "BLOCKER" "Tclin" "Homo sapiens" +"mepivacaine" 1700 "Sodium channel protein type 2 subunit alpha" "Ion channel" "Q99250" "SCN2A" "SCN2A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1087" "BLOCKER" "Tclin" "Homo sapiens" +"mepivacaine" 1700 "Sodium channel protein type 1 subunit alpha" "Ion channel" "P35498" "SCN1A" "SCN1A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1087" "BLOCKER" "Tclin" "Homo sapiens" +"mepivacaine" 1700 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1087" "BLOCKER" "Tclin" "Homo sapiens" +"meprednisone" 1702 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action; CHEMBL2034; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201148" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201148" "AGONIST" "Tclin" "Homo sapiens" +"meprobamate" 1704 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRB3|GABRG2" "GBRA1_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL979" "AGONIST" "Tclin|Tclin|Tclin" "Homo sapiens" +"meprobamate" 1704 "GABA-A receptor alpha-2/beta-3/gamma-2" "Ion channel" "P18507|P28472|P47869" "GABRA2|GABRB3|GABRG2" "GBRA2_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL979" "AGONIST" "Tclin|Tclin|Tclin" "Homo sapiens" +"meprobamate" 1704 "GABA-A receptor alpha-3/beta-3/gamma-2" "Ion channel" "P18507|P28472|P34903" "GABRA3|GABRB3|GABRG2" "GBRA3_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL979" "AGONIST" "Tclin|Tclin|Tclin" "Homo sapiens" +"meprobamate" 1704 "GABA-A receptor alpha-5/beta-3/gamma-2" "Ion channel" "P18507|P28472|P31644" "GABRA5|GABRB3|GABRG2" "GBRA5_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL979" "AGONIST" "Tclin|Tclin|Tclin" "Homo sapiens" +"meprobamate" 1704 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 6.8207 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"meproscillarin" 1705 "Sodium/potassium-transporting ATPase subunit alpha-1" "Transporter" "P05023" "ATP1A1" "AT1A1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"meptazinol" 1706 "Acetylcholinesterase" "Enzyme" "P21836" "Ache" "ACES_MOUSE" 4.39 "IC50" "Inhibition of mouse brain AChE" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL314437" "Mus musculus" +"meptazinol" 1706 "Cholinesterase" "Enzyme" "Q03311" "Bche" "CHLE_MOUSE" 4.82 "IC50" "Inhibition of mouse serum BChE" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL314437" "Mus musculus" +"meptazinol" 1706 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 8.06 "EC50" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/6141283" "PARTIAL AGONIST" "Tclin" "Homo sapiens" +"mequitazine" 1707 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 8.27572413 "Ki" "PDSP" "Tclin" "Homo sapiens" +"mequitazine" 1707 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 8.251811973 "Ki" "PDSP" "Tclin" "Homo sapiens" +"mequitazine" 1707 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.958607315 "Ki" "PDSP" "Tclin" "Homo sapiens" +"mequitazine" 1707 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.236572265625 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"mequitazine" 1707 "Trypanothione reductase" "Enzyme" "P28593" "TPR" "TYTR_TRYCR" 4.66 "IC50" "Inhibition of Trypanosoma cruzi Trypanothione reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL73451" "Trypanosoma cruzi" +"mequitazine" 1707 "Trypanothione reductase" "Unclassified" "Q389T8" "Q389T8_TRYB2" 4.27 "IC50" "Inhibition of Trypanosoma brucei Trypanothione reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL73451" "Trypanosoma brucei brucei (strain 927/4 GUTat10.1)" +"mequitazine" 1707 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.954677021 "Ki" "PDSP" "Tclin" "Homo sapiens" +"mequitazine" 1707 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.853871964 "Ki" "PDSP" "Tclin" "Homo sapiens" +"mequitazine" 1707 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 8 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL73451" "Cavia porcellus" +"mercaptopurine" 1708 "Purine nucleoside phosphorylase" "Unclassified" "P9WP01" "punA" "PUNA_MYCTU" 4.1 "Kd" "Binding affinity to Mycobacterium tuberculosis purine nucleoside phosphorylase by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1425" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"mercaptopurine" 1708 "Amidophosphoribosyltransferase" "Enzyme" "Q06203" "PPAT" "PUR1_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB01033" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1425" "INHIBITOR" "Tclin" "Homo sapiens" +"mercaptopurine" 1708 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 4.789360494 "IC50" "DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mercaptopurine" 1708 "Thiopurine S-methyltransferase" "Enzyme" "P51580" "TPMT" "TPMT_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"mercaptopurine" 1708 "Purine nucleoside phosphorylase" "Enzyme" "P00491" "PNP" "PNPH_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"mercaptopurine" 1708 "Multidrug resistance-associated protein 4" "Transporter" "O15439" "ABCC4" "MRP4_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"mercaptopurine" 1708 "Multidrug resistance-associated protein 5" "Transporter" "O15440" "ABCC5" "MRP5_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"meropenem" 1709 "Penicillin-binding protein 2" "Enzyme" "Q9X6V3" "pbpA" "Q9X6V3_PSEAI" "WOMBAT-PK" "Pseudomonas aeruginosa" +"meropenem" 1709 "Penicillin-binding protein 4" "Enzyme" "Q5D1E9" "Q5D1E9_STAAU" "WOMBAT-PK" "Staphylococcus aureus" +"meropenem" 1709 "D-ala-D-ala-carboxypeptidase; D-alanyl-D-alanine carboxypeptidase; D-alanyl-D-alanine carboxypeptidase family protein; Penicillin-binding protein 5" "Enzyme" "Q9X6V7" "dacA" "Q9X6V7_PSEAI" "WOMBAT-PK" "Pseudomonas aeruginosa" +"meropenem" 1709 "Penicillin-binding protein 1" "Enzyme" "A1KS91" "ponA" "A1KS91_NEIMF" "WOMBAT-PK" "Neisseria meningitidis serogroup C / serotype 2a (strain ATCC 700532 / DSM 15464 / FAM18)" +"meropenem" 1709 "D-alanyl-D-alanine carboxypeptidase; D-alanyl-D-alanine carboxypeptidase penicillin-binding protein 6" "Enzyme" "Q7CHG0" "dacC" "Q7CHG0_YERPE" "WOMBAT-PK" "Yersinia pestis" +"meropenem" 1709 "D-alanyl-D-alanine carboxypeptidase DacB" "Enzyme" "P24228" "dacB" "DACB_ECOLI" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00760" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL127" "INHIBITOR" "Escherichia coli (strain K12)" +"meropenem" 1709 "Streptokinase A" "Enzyme" "P10520" "ska" "STRP_STRP1" 6.9 "EC50" "WOMBAT-PK" "=" "Streptococcus pyogenes serotype M1" +"meropenem" 1709 "Beta-lactamase class B VIM-2" "Unclassified" "Q9K2N0" "blaVIM-2" "Q9K2N0_PSEAI" 4.92 "Kd" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL127" "Pseudomonas aeruginosa" +"mesalazine" 1710 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" "Mechanism of Action; CHEMBL215; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL704" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL704" "INHIBITOR" "Tclin" "Homo sapiens" +"mesalazine" 1710 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00244" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL704" "INHIBITOR" "Tclin" "Homo sapiens" +"mesalazine" 1710 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL704" "INHIBITOR" "Tclin" "Homo sapiens" +"mesalazine" 1710 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" "UNKNOWN" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2700" "AGONIST" "Tclin" "Homo sapiens" +"mesoridazine" 1712 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.42021656036377 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"mesoridazine" 1712 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.58502674102783 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"mesoridazine" 1712 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.7435245513916 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"mesoridazine" 1712 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.80410051345825 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"mesoridazine" 1712 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.12491512298584 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1088" "ANTAGONIST" "Tclin" "Homo sapiens" +"mesoridazine" 1712 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.04095840454102 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"mesoridazine" 1712 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.04575729370117 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"mesoridazine" 1712 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.72445821762085 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1088" "ANTAGONIST" "Tclin" "Homo sapiens" +"mesoridazine" 1712 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 8 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"mesoridazine" 1712 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.22184896469116 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"mesoridazine" 1712 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.72124624252319 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"mesoridazine" 1712 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.82390880584717 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"mesoridazine" 1712 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.5 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1088" "Tclin" "Homo sapiens" +"mesoridazine" 1712 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.98 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7227" "ANTAGONIST" "Tclin" "Homo sapiens" +"mesoridazine" 1712 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.99 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7227" "ANTAGONIST" "Tclin" "Homo sapiens" +"mestranol" 1714 "Cannabinoid receptor 1" "GPCR" "P21554" "CNR1" "CNR1_HUMAN" 4.647200257 "Ki" "DRUGMATRIX: Cannabinoid CB1 radioligand binding (ligand: [3H] SR141716A)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mestranol" 1714 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.657577319 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mestranol" 1714 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.862962545 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mestranol" 1714 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 8.282329497 "Ki" "DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201151" "AGONIST" "Tclin" "Homo sapiens" +"mestranol" 1714 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.147459014 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"mestranol" 1714 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 4.958212681 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"orciprenaline" 1720 "Beta-2 adrenergic receptor" "GPCR" "Q28044" "ADRB2" "ADRB2_BOVIN" 5.04 "Kd" "Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL776" "Bos taurus" +"orciprenaline" 1720 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.3 "Kd" "Binding affinity to beta-2 adrenergic receptor (unknown origin) at 1 to 10000 nM" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL776" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL776" "AGONIST" "Tclin" "Homo sapiens" +"metaraminol" 1721 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201319" "AGONIST" "Tclin" "Homo sapiens" +"metergoline" 1723 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 7.5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=133" "ANTAGONIST" "Rattus norvegicus" +"metergoline" 1723 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 9.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=133" "ANTAGONIST" "Tclin" "Homo sapiens" +"metergoline" 1723 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=133" "ANTAGONIST" "Tchem" "Homo sapiens" +"metergoline" 1723 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 6.1 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=133" "ANTAGONIST" "Tchem" "Homo sapiens" +"metergoline" 1723 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=133" "ANTAGONIST" "Tclin" "Homo sapiens" +"metergoline" 1723 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=133" "ANTAGONIST" "Tclin" "Homo sapiens" +"metergoline" 1723 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=133" "ANTAGONIST" "Tclin" "Homo sapiens" +"metergoline" 1723 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 6.5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=133" "ANTAGONIST" "Tclin" "Homo sapiens" +"metergoline" 1723 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 6.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=133" "ANTAGONIST" "Tchem" "Homo sapiens" +"metergoline" 1723 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.431798276 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"metergoline" 1723 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.677780705 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"metergoline" 1723 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.657577319 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"metergoline" 1723 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.504455662 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"metergoline" 1723 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.440093375 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"metergoline" 1723 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 8.123782159 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"metergoline" 1723 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.583359493 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"metergoline" 1723 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.318758763 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"metergoline" 1723 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.018181393 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"metergoline" 1723 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.568636236 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"metergoline" 1723 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 7.301029996 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"metergoline" 1723 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.698970004 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"metergoline" 1723 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.420216403 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"metergoline" 1723 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 5.871600731 "IC50" "DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"metergoline" 1723 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.867420152 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"metergoline" 1723 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 6.562249437 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808)" "DRUG MATRIX" "=" "Cavia porcellus" +"metergoline" 1723 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.838631998 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"metergoline" 1723 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 8.2 "Ki" "Binding affinity towards 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19215" "Rattus norvegicus" +"metergoline" 1723 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.64 "Ki" "Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in CHOK1 cells after 60 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19215" "Tclin" "Homo sapiens" +"metergoline" 1723 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2a|Htr2b|Htr2c" "5HT2A_RAT|5HT2B_RAT|5HT2C_RAT" 9.52 "Ki" "Binding affinity to rat cortical membranes at 5-hydroxytryptamine 2 (5-HT2) receptor using [3H]KET as a radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19215" "Rattus norvegicus" +"metergoline" 1723 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 9.3 "Ki" "Evaluated for the binding affinity to porcine choroid plexus at 5-hydroxytryptamine 2C receptor binding site by using [3H]-MES as a radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19215" "Tclin" "Homo sapiens" +"metergoline" 1723 "Serotonin 1 (5-HT1) receptor" "GPCR" "P19327|P28564|P28565|P30940" "Htr1a|Htr1b|Htr1d|Htr1f" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT" 7.7 "Ki" "Evaluated for binding affinity towards rat cortical membranes at 5-hydroxytryptamine 1 receptor binding site by using [3H]-5-HT as a radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19215" "Rattus norvegicus" +"metergoline" 1723 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 7.6 "Ki" "Binding affinity (Ki) to rat cortical membranes at 5-HT1B binding site by using [125 I] ICYP as a radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19215" "Rattus norvegicus" +"metergoline" 1723 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 8.22 "Ki" "Evaluated for the binding affinity to hippocampus striatal membranes at 5-hydroxytryptamine 1A receptor binding site by using [3H]-8-OH- DPAT as a radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19215" "Rattus norvegicus" +"metergoline" 1723 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 8.2 "Ki" "Displacement of [3H]5CT from 5HT7 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19215" "Tclin" "Homo sapiens" +"metergoline" 1723 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.02 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19215" "Rattus norvegicus" +"metergoline" 1723 "5-hydroxytryptamine receptor 7" "GPCR" "P32304" "Htr7" "5HT7R_MOUSE" 7.5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=133" "ANTAGONIST" "Mus musculus" +"metformin" 1725 "Dipeptidyl peptidase 4" "Enzyme" "P27487" "DPP4" "DPP4_HUMAN" 4.54 "IC50" "Inhibition of DPP4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1431" "Tclin" "Homo sapiens" +"metformin" 1725 "Mitochondrial complex I (NADH dehydrogenase)" "Enzyme" "O00217|O00483|O14561|O15239|O43181|O43674|O43676|O43677|O43678|O43920|O75251|O75306|O75380|O75438|O75489|O95139|O95167|O95168|O95169|O95178|O95182|O95298|O95299|O96000|P03886|P03891|P03897|P03901|P03905|P03915|P03923|P17568|P19404|P28331|P49821|P51970|P56181|P56556|Q16718|Q16795|Q86Y39|Q8N183|Q9BU61|Q9NRX3|Q9NX14|Q9P032|Q9P0J0|Q9UI09|Q9Y375|Q9Y6M9" "MT-ND1|MT-ND2|MT-ND3|MT-ND4|MT-ND4L|MT-ND5|MT-ND6|NDUFA1|NDUFA10|NDUFA11|NDUFA12|NDUFA13|NDUFA2|NDUFA3|NDUFA4|NDUFA4L2|NDUFA5|NDUFA6|NDUFA7|NDUFA8|NDUFA9|NDUFAB1|NDUFAF1|NDUFAF2|NDUFAF3|NDUFAF4|NDUFB1|NDUFB10|NDUFB11|NDUFB2|NDUFB3|NDUFB4|NDUFB5|NDUFB6|NDUFB7|NDUFB8|NDUFB9|NDUFC1|NDUFC2|NDUFS1|NDUFS2|NDUFS3|NDUFS4|NDUFS5|NDUFS6|NDUFS7|NDUFS8|NDUFV1|NDUFV2|NDUFV3" "ACPM_HUMAN|CIA30_HUMAN|MIMIT_HUMAN|NDUA1_HUMAN|NDUA2_HUMAN|NDUA3_HUMAN|NDUA4_HUMAN|NDUA5_HUMAN|NDUA6_HUMAN|NDUA7_HUMAN|NDUA8_HUMAN|NDUA9_HUMAN|NDUAA_HUMAN|NDUAB_HUMAN|NDUAC_HUMAN|NDUAD_HUMAN|NDUB1_HUMAN|NDUB2_HUMAN|NDUB3_HUMAN|NDUB4_HUMAN|NDUB5_HUMAN|NDUB6_HUMAN|NDUB7_HUMAN|NDUB8_HUMAN|NDUB9_HUMAN|NDUBA_HUMAN|NDUBB_HUMAN|NDUC1_HUMAN|NDUC2_HUMAN|NDUF3_HUMAN|NDUF4_HUMAN|NDUS1_HUMAN|NDUS2_HUMAN|NDUS3_HUMAN|NDUS4_HUMAN|NDUS5_HUMAN|NDUS6_HUMAN|NDUS7_HUMAN|NDUS8_HUMAN|NDUV1_HUMAN|NDUV2_HUMAN|NDUV3_HUMAN|NU1M_HUMAN|NU2M_HUMAN|NU3M_HUMAN|NU4LM_HUMAN|NU4M_HUMAN|NU5M_HUMAN|NU6M_HUMAN|NUA4L_HUMAN" "Mechanism of Action; CHEMBL2363065; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1431" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1431" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"metformin" 1725 "5'-AMP-activated protein kinase subunit beta-1" "Kinase" "Q9Y478" "PRKAB1" "AAKB1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"metformin" 1725 "Solute carrier family 22 member 3" "Transporter" "O75751" "SLC22A3" "S22A3_HUMAN" 2.4988 "Km" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"metformin" 1725 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 3.4012 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"metformin" 1725 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 2.6968 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"methacholine" 1726 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 7.23 "Ki" "Inhibition of binding of [3H]quinuclidinyl benzilate to Muscarinic acetylcholine receptor M2 in rat cerebral cortical membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL978" "Rattus norvegicus" +"methacholine" 1726 "Muscarinic acetylcholine receptor M4" "GPCR" "P08485" "Chrm4" "ACM4_RAT" 5.8 "Ki" "Inhibition of binding of [3H]quinuclidinyl benzilate to Muscarinic acetylcholine receptor M4 in rat cerebral cortical membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL978" "Rattus norvegicus" +"methacholine" 1726 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.23 "Ki" "Inhibition of binding of [3H]quinuclidinyl benzilate to muscarinic receptors in membranes of CHO cells transfected with Muscarinic acetylcholine receptor M2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL978" "Tclin" "Homo sapiens" +"methacholine" 1726 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.8 "Ki" "Inhibition of binding of [3H]quinuclidinyl benzilate to muscarinic receptors in membranes of CHO cells transfected with Muscarinic acetylcholine receptor M4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL978" "Tclin" "Homo sapiens" +"methacholine" 1726 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" "Mechanism of Action; CHEMBL245; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL978" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL978" "AGONIST" "Tclin" "Homo sapiens" +"methacholine" 1726 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.63827228546143 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"methacholine" 1726 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 6.4 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7438" "AGONIST" "Rattus norvegicus" +"methacholine" 1726 "Muscarinic acetylcholine receptor M3" "GPCR" "P08483" "Chrm3" "ACM3_RAT" 6.92 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7438" "AGONIST" "Rattus norvegicus" +"methadone" 1728 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 6.29 "IC50" "Binding affinity against opioid receptor kappa 1 using [3H]- U-69,593 radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL651" "Tclin" "Homo sapiens" +"methadone" 1728 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.96 "IC50" "Binding affinity against delta-opiate receptor (human) using [3H]-DPDPE radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL651" "Tclin" "Homo sapiens" +"methadone" 1728 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.01 "IC50" "Inhibitory concentration against potassium channel HERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL651" "Tclin" "Homo sapiens" +"methadone" 1728 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprk1|Oprm1|Sigmar1" "OPRD_RAT|OPRK_RAT|OPRM_RAT|SGMR1_RAT" 7.29 "IC50" "Displacement of [3H]naloxone from Sprague-Dawley rat cerebellum opioid receptor assessed as relative receptor affinity by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL651" "Rattus norvegicus" +"methadone" 1728 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 8.78 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL651" "AGONIST" "Tclin" "Homo sapiens" +"methadone" 1728 "Neuronal acetylcholine receptor subunit alpha-10" "Ion channel" "Q9GZZ6" "CHRNA10" "ACH10_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"methadone" 1728 "Glutamate receptor ionotropic, NMDA 3A" "Ion channel" "Q8TCU5" "GRIN3A" "NMD3A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"acetylmethadol" 1729 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.66 "IC50" "Inhibitory concentration against potassium channel HERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL170179" "Tclin" "Homo sapiens" +"acetylmethadol" 1729 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "KEGG DRUG" "http://www.ncbi.nlm.nih.gov/pubmed/19153939" "http://www.kegg.jp/entry/D04973" "AGONIST" "Tclin" "Homo sapiens" +"methamphetamine" 1732 "Trace amine-associated receptor 1" "GPCR" "Q96RJ0" "TAAR1" "TAAR1_HUMAN" 5.89 "EC50" "Activation of human TAAR1 expressed in human HEK293T cells assessed as cAMP accumulation after 10 mins by BRET assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200952" "AGONIST" "Tclin" "Homo sapiens" +"methamphetamine" 1732 "Trace amine-associated receptor 1" "GPCR" "Q923Y9" "Taar1" "TAAR1_RAT" 6.88 "EC50" "Activation of rat wild type TAAR1 expressed in HEK293 cells assessed as stimulation of cAMP production after 1 hr by chemiluminescent assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200952" "Rattus norvegicus" +"methamphetamine" 1732 "Trace amine-associated receptor 1" "GPCR" "Q923Y8" "Taar1" "TAAR1_MOUSE" 7.15 "EC50" "Activation of mouse TAAR1 expressed in human HEK293 cells assessed as accumulation of cAMP after 15 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200952" "Mus musculus" +"methamphetamine" 1732 "Trace amine-associated receptor 1" "GPCR" "Q8HZ64" "TAAR1" "TAAR1_MACMU" 5.28 "EC50" "Activation of rhesus monkey TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein assessed as cAMP accumulation by fluorescence plate reader" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200952" "Macaca mulatta" +"methamphetamine" 1732 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 5.08 "Ki" "Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200952" "Tclin" "Homo sapiens" +"methamphetamine" 1732 "Synaptic vesicular amine transporter" "Transporter" "Q01827" "Slc18a2" "VMAT2_RAT" 5.61 "Ki" "Inhibition of VMAT2-mediated [3H]-dopamine uptake in rat striata isolated synaptic vesicles by liquid scintillation spectroscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200952" "Rattus norvegicus" +"methamphetamine" 1732 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 7.6108341217041 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200952" "INHIBITOR" "Tclin" "Homo sapiens" +"methamphetamine" 1732 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"methamphetamine" 1732 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.13312196731567 "Ki" "PDSP" "=" "INHIBITOR" "Tclin" "Homo sapiens" +"methamphetamine" 1732 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.0895357131958 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"methamphetamine" 1732 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.12819385528565 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"methamphetamine" 1732 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.38279008865356 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"methamphetamine" 1732 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.910094889 "Ki" "PDSP" "INHIBITOR" "Tclin" "Homo sapiens" +"methanthelinium" 1736 "Muscarinic acetylcholine receptor" "GPCR" "P08172|P08173|P08912|P11229|P20309" "CHRM1|CHRM2|CHRM3|CHRM4|CHRM5" "ACM1_HUMAN|ACM2_HUMAN|ACM3_HUMAN|ACM4_HUMAN|ACM5_HUMAN" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D00721" "http://www.kegg.jp/entry/D00721" "ANTAGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"methapyrilene" 1738 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.359518563 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"methapyrilene" 1738 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.974694135 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"methapyrilene" 1738 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.860120914 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"methapyrilene" 1738 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.744727495 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"methapyrilene" 1738 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.270025714 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"methapyrilene" 1738 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.408935393 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"methapyrilene" 1738 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.843148099 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"methapyrilene" 1738 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.819587367 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"methapyrilene" 1738 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.744727495 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"methapyrilene" 1738 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.93930216 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"methapyrilene" 1738 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.227678293 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"methapyrilene" 1738 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.629671992 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"methapyrilene" 1738 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.659555885 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"methapyrilene" 1738 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.559657759 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"methaqualone" 1739 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 4.40999984741211 "EC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/26056160" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"methaqualone" 1739 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRB3|GABRG2" "GBRA1_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 4.51999998092651 "EC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/26056160" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"methaqualone" 1739 "GABA A receptor alpha-2/beta-2/gamma-2" "Ion channel" "P18507|P47869|P47870" "GABRA2|GABRB2|GABRG2" "GBRA2_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 4.6100001335144 "EC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/26056160" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"methaqualone" 1739 "GABA A receptor alpha-3/beta-2/gamma-2" "Ion channel" "P18507|P34903|P47870" "GABRA3|GABRB2|GABRG2" "GBRA3_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 4.30999994277954 "EC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/26056160" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"methaqualone" 1739 "GABA A receptor alpha-4/beta-2/delta" "Ion channel" "O14764|P47870|P48169" "GABRA4|GABRB2|GABRD" "GBRA4_HUMAN|GBRB2_HUMAN|GBRD_HUMAN" 4.17000007629395 "EC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/26056160" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"methaqualone" 1739 "GABA A receptor alpha-4/beta-3/delta" "Ion channel" "O14764|P28472|P48169" "GABRA4|GABRB3|GABRD" "GBRA4_HUMAN|GBRB3_HUMAN|GBRD_HUMAN" 3.91000008583069 "EC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/26056160" "AGONIST" "Tclin|Tclin|Tclin" "Homo sapiens" +"methaqualone" 1739 "GABA A receptor alpha-5/beta-2/gamma-2" "Ion channel" "P18507|P31644|P47870" "GABRA5|GABRB2|GABRG2" "GBRA5_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 4.55999994277954 "EC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/26056160" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"methaqualone" 1739 "GABA-A receptor alpha-6/beta-2" "Ion channel" "P47870|Q16445" "GABRA6|GABRB2" "GBRA6_HUMAN|GBRB2_HUMAN" 4.13000011444092 "EC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/26056160" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin" "Homo sapiens" +"methaqualone" 1739 "GABA-A receptor alpha-6/beta-2/delta" "Ion channel" "O14764|P47870|Q16445" "GABRA6|GABRB2|GABRD" "GBRA6_HUMAN|GBRB2_HUMAN|GBRD_HUMAN" 4.44000005722046 "EC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/26056160" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"methaqualone" 1739 "GABA-A receptor alpha-6/beta-3/delta" "Ion channel" "O14764|P28472|Q16445" "GABRA6|GABRB3|GABRD" "GBRA6_HUMAN|GBRB3_HUMAN|GBRD_HUMAN" 4.5 "EC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/26056160" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"metharbital" 1740 "GABA-A receptor; anion channel" "Ion channel" "O00591|O14764|P14867|P18505|P18507|P28472|P31644|P34903|P47869|P47870|P48169|P78334|Q16445|Q8N1C3|Q99928|Q9UN88" "GABRA1|GABRA2|GABRA3|GABRA4|GABRA5|GABRA6|GABRB1|GABRB2|GABRB3|GABRD|GABRE|GABRG1|GABRG2|GABRG3|GABRP|GABRQ" "GBRA1_HUMAN|GBRA2_HUMAN|GBRA3_HUMAN|GBRA4_HUMAN|GBRA5_HUMAN|GBRA6_HUMAN|GBRB1_HUMAN|GBRB2_HUMAN|GBRB3_HUMAN|GBRD_HUMAN|GBRE_HUMAN|GBRG1_HUMAN|GBRG2_HUMAN|GBRG3_HUMAN|GBRP_HUMAN|GBRT_HUMAN" "Mechanism of Action; CHEMBL2093872; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL450" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL450" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"methazolamide" 1741 "Carbonic anhydrase" "Unclassified" "C0IX24" "CA2" "C0IX24_9CNID" 6.88 "Ki" "Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "Stylophora pistillata" +"methazolamide" 1741 "Delta carbonic anhydrase" "Unclassified" "Q5U9J1" "ca1" "Q5U9J1_THAWE" 6.77 "Ki" "Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "Thalassiosira weissflogii" +"methazolamide" 1741 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 7.19 "Ki" "Inhibitory activity against human recombinant mitochondrial isozyme CA VA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "Tclin" "Homo sapiens" +"methazolamide" 1741 "Carbonic anhydrase" "Enzyme" "O43570|P00915|P00918|P07451|P22748|P23280|P35218|P43166|Q16790|Q8N1Q1|Q9ULX7|Q9Y2D0" "CA1|CA12|CA13|CA14|CA2|CA3|CA4|CA5A|CA5B|CA6|CA7|CA9" "CAH12_HUMAN|CAH13_HUMAN|CAH14_HUMAN|CAH1_HUMAN|CAH2_HUMAN|CAH3_HUMAN|CAH4_HUMAN|CAH5A_HUMAN|CAH5B_HUMAN|CAH6_HUMAN|CAH7_HUMAN|CAH9_HUMAN" 7.7 "IC50" "Evaluated for its activity against carbonic anhydrase (CA) in anesthetized rabbits" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"methazolamide" 1741 "Carbonic anhydrase" "Enzyme" "P53615" "NCE103" "CAN_YEAST" 6.92 "Ki" "Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"methazolamide" 1741 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 8.05 "Ki" "Inhibitory activity against human carbonic anhydrase II" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "INHIBITOR" "Tclin" "Homo sapiens" +"methazolamide" 1741 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 7.37 "Ki" "Inhibitory constant against human carbonic anhydrase XIV in CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "Tclin" "Homo sapiens" +"methazolamide" 1741 "Carbonic anhydrase" "Enzyme" "Q50565" "Q50565_METTH" 4.49 "Ki" "Inhibitory activity against beta carbonic anhydrase (Cab) from Methanobacterium thermoautotrophicum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "Methanothermobacter thermautotrophicus (strain ATCC 29096 / DSM 1053 / JCM 10044 / NBRC 100330 / Delta H)" +"methazolamide" 1741 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 8.68 "Ki" "Ki value against human carbonic anhydrase VII" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "INHIBITOR" "Tclin" "Homo sapiens" +"methazolamide" 1741 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 7.72 "Ki" "Inhibitory activity against murine carbonic anhydrase XIII (mCA XIII) by using CO2 hydrase assay method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "Mus musculus" +"methazolamide" 1741 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 8.47 "Ki" "Ki value against human carbonic anhydrase XII (hCA XII)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "Tclin" "Homo sapiens" +"methazolamide" 1741 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 7.57 "Ki" "Inhibitory activity against human carbonic anhydrase IX (hCA IX) by using CO2 hydrase assay method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "Tclin" "Homo sapiens" +"methazolamide" 1741 "Carbonic anhydrase" "Enzyme" "O24855" "cynT" "CYNT_HELPY" 6.77 "Ki" "Inhibition of Helicobacter pylori recombinant CA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "Helicobacter pylori (strain ATCC 700392 / 26695)" +"methazolamide" 1741 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 7.19 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "Mus musculus" +"methazolamide" 1741 "Alpha carbonic anhydrase" "Unclassified" "B5SU02" "CA" "B5SU02_9CNID" 7.67 "Ki" "Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "Stylophora pistillata" +"methazolamide" 1741 "Carbonic anhydrase V" "Enzyme" "P35218|Q9Y2D0" "CA5A|CA5B" "CAH5A_HUMAN|CAH5B_HUMAN" 8.6 "Ki" "Mean inhibitory constant towards human carbonic anhydrase V determined by spectrophotometric dansylamide binding assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "Tclin|Tclin" "Homo sapiens" +"methazolamide" 1741 "Probable transmembrane carbonic anhydrase (Carbonate dehydratase) (Carbonic dehydratase); Transmembrane carbonic anhydrase" "Enzyme" "P96878" "P96878_MYCTU" 6.25 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3273 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"methazolamide" 1741 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 6.62 "Ki" "Inhibition of cloned isozyme, human carbonic anhydrase IV" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "INHIBITOR" "Tclin" "Homo sapiens" +"methazolamide" 1741 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 7.85 "Ki" "Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "INHIBITOR" "Tclin" "Homo sapiens" +"methazolamide" 1741 "Astrosclerin-3" "Unclassified" "A6YCJ1" "A6YCJ1_9METZ" 6.49 "Ki" "Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "Astrosclera willeyana" +"methazolamide" 1741 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 7.21 "Ki" "Inhibitory activity against human recombinant mitochondrial isozyme CA VB" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "Tclin" "Homo sapiens" +"methazolamide" 1741 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 8.96 "Ki" "Inhibition of human carbonic anhydrase 3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "Tclin" "Homo sapiens" +"methazolamide" 1741 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 7.85 "Ki" "Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"methazolamide" 1741 "Carbonic anhydrase" "Enzyme" "P40881" "CAH_METTE" 6.85 "Ki" "Inhibitory activity against alpha carbonic anhydrase (Zn-Cam) from Methanosarcina thermophila" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "Methanosarcina thermophila" +"methazolamide" 1741 "Beta-carbonic anhydrase 1" "Enzyme" "P9WPJ7" "mtcA1" "MTCA1_MYCTU" 6.11 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase 1 encoded by Rv1284 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"methazolamide" 1741 "Carbonic anhydrase 2" "Enzyme" "P9WPJ9" "mtcA2" "MTCA2_MYCTU" 6.18 "Ki" "Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"methazolamide" 1741 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 7.72 "Ki" "Inhibition of human recombinant cytosolic carbonic anhydrase 13 preincubated for 15 mins by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "Tclin" "Homo sapiens" +"methazolamide" 1741 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 8 "Ki" "Inhibition of full length human recombinant CA VI" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "Tclin" "Homo sapiens" +"methazolamide" 1741 "Carbonic anhydrase 4" "Enzyme" "Q95323" "CA4" "CAH4_BOVIN" 7.44 "Ki" "Compound was evaluated for inhibition against bovine carbonic anhydrase IV" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "Bos taurus" +"methazolamide" 1741 "Carbonic anhydrase" "Unclassified" "Q5TU56" "Q5TU56_ANOGA" 6.74 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "Anopheles gambiae" +"methazolamide" 1741 "Carbonic anhydrase" "Enzyme" "Q6FTL6" "Q6FTL6_CANGA" 6.93 "Ki" "Inhibition of recombinant full length Candida glabrata NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "Candida glabrata (strain ATCC 2001 / CBS 138 / JCM 3761 / NBRC 0622 / NRRL Y-65)" +"methdilazine" 1742 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "Mechanism of Action; CHEMBL231; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200532" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200532" "ANTAGONIST" "Tclin" "Homo sapiens" +"meticillin" 1744 "Beta-lactam-inducible penicillin-binding protein" "Enzyme" "P07944" "pbp" "PBP_STAAU" "WOMBAT-PK" "Staphylococcus aureus" +"meticillin" 1744 "NH(3)-dependent NAD(+) synthetase" "Unclassified" "P18843" "nadE" "NADE_ECOLI" 5.5 "IC50" "WOMBAT-PK" "=" "Escherichia coli (strain K12)" +"meticillin" 1744 "Penicillin-binding protein" "Enzyme" "P72355|Q53707|Q53725|Q53729|Q9XDB3" "PBP2|mecA|pbp4|pbpA|pbpF" "P72355_STAAU|Q53707_STAAU|Q53725_STAAU|Q53729_STAAU|Q9XDB3_STAAU" "Mechanism of Action; CHEMBL2363021; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL575" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL575" "INHIBITOR" "Staphylococcus aureus" +"thiamazole" 1745 "Thyroid peroxidase" "Enzyme" "P07202" "TPO" "PERT_HUMAN" 5.57 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1515" "INHIBITOR" "Tclin" "Homo sapiens" +"thiamazole" 1745 "Dopamine beta-hydroxylase" "Unclassified" "P15101" "DBH" "DOPO_BOVIN" 4.35 "Ki" "Compound was evaluated for the inhibition of Dopamine beta hydroxylase at pH 4.5" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1515" "Bos taurus" +"thiamazole" 1745 "Lactoperoxidase" "Enzyme" "P80025" "LPO" "PERL_BOVIN" 5.08 "IC50" "Inhibition of Bos taurus (bovine) milk lactoperoxidase-catalyzed iodination of L-tyrosine substrate by reverse phase HPLC analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1515" "Bos taurus" +"thiamazole" 1745 "Lactoperoxidase" "Enzyme" "P22079" "LPO" "PERL_HUMAN" 4.93 "IC50" "Inhibition of lactoperoxidase-catalyzed iodination of L-tyrosine assessed as 3,5-diiodo-L-tyrosine formation by HPLC" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1515" "Tbio" "Homo sapiens" +"methocarbamol" 1747 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 7.6 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6829" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201117" "INHIBITOR" "Tclin" "Homo sapiens" +"methohexital" 1748 "Neuronal acetylcholine receptor; alpha2/beta2" "Ion channel" "P17787|Q15822" "CHRNA2|CHRNB2" "ACHA2_HUMAN|ACHB2_HUMAN" "WOMBAT-PK" "Tchem|Tclin" "Homo sapiens" +"methohexital" 1748 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRB3|GABRG2" "GBRA1_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL7413" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"methohexital" 1748 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"methotrexate" 1751 "Dihydrofolate reductase" "Enzyme" "P00374" "DHFR" "DYR_HUMAN" 8.92 "Ki" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4815" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/205776s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"methotrexate" 1751 "Multidrug resistance-associated protein 4" "Transporter" "O15439" "ABCC4" "MRP4_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"methotrexate" 1751 "Multidrug resistance-associated protein 5" "Transporter" "O15440" "ABCC5" "MRP5_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"methotrexate" 1751 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"methotrexate" 1751 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"methotrexate" 1751 "Canalicular multispecific organic anion transporter 1" "Transporter" "Q92887" "ABCC2" "MRP2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"methotrexate" 1751 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"methotrexate" 1751 "Dihydrofolate reductase" "Enzyme" "P16184" "DYR_PNECA" 9 "IC50" "Inhibition against Dihydrofolate reductase in Pneumocystis carinii" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL426" "Pneumocystis carinii" +"methotrexate" 1751 "Dihydrofolate reductase" "Enzyme" "P00381" "folA" "DYR_LACCA" 8.89 "IC50" "Compound was tested for the inhibition of dihydrofolate reductase in Bovine liver" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL426" "Lactobacillus casei" +"methotrexate" 1751 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "Q07422" "DRTS_TOXGO" 8.85 "IC50" "Inhibitory activity against Dihydrofolate reductase from Toxoplasma gondii was evaluated using 90 uM dihydrofolic acid as substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL426" "Toxoplasma gondii" +"methotrexate" 1751 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "P07382" "DRTS_LEIMA" 9.89 "Ki" "Inhibition of dihydrofolate reductase (DHFR) from Leishmania major" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL426" "Leishmania major" +"methotrexate" 1751 "Thymidylate synthase" "Enzyme" "C3SWJ7" "thyA" "C3SWJ7_ECOLX" 5.74 "IC50" "Inhibitory activity against Escherichia coli thymidylate synthase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL426" "Escherichia coli" +"methotrexate" 1751 "Thymidylate synthase" "Enzyme" "P04818" "TYMS" "TYSY_HUMAN" 6.22 "Ki" "Inhibition of human TS by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL426" "Tclin" "Homo sapiens" +"methotrexate" 1751 "Dihydrofolate reductase" "Unclassified" "P00380" "folA" "DYR_ENTFC" 8.85 "IC50" "Inhibition of Streptococcus faecium dihydrofolate reductase using dihydrofolate as substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL426" "Enterococcus faecium" +"methotrexate" 1751 "Thymidylate synthase" "Enzyme" "P00469" "thyA" "TYSY_LACCA" 4.4 "IC50" "Ability to inhibit Lactobacillus casei thymidylate synthase in vitro was determined" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL426" "Lactobacillus casei" +"methotrexate" 1751 "Dihydrofolate reductase" "Unclassified" "P00376" "DHFR" "DYR_BOVIN" 8.77 "IC50" "In vitro inhibitory concentration against beef liver dihydrofolate reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL426" "Bos taurus" +"methotrexate" 1751 "Dihydrofolate reductase" "Enzyme" "Q920D2" "Dhfr" "DYR_RAT" 10.14 "Ki" "Inhibition of rat liver DHFR by enzyme kinetics assay in presence of variable DHFA level" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL426" "Rattus norvegicus" +"methotrexate" 1751 "Dihydrofolate reductase" "Enzyme" "Q81R22" "dfrA" "Q81R22_BACAN" 7.91 "IC50" "Inhibition of Bacillus anthracis DHFR" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL426" "Bacillus anthracis" +"methotrexate" 1751 "Dihydrofolate reductase" "Unclassified" "B0BL08" "dfrA17" "B0BL08_ECOLX" 10.68 "Ki" "Binding affinity against Dihydrofolate reductase of Escherichia coli" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL426" "Escherichia coli" +"methotrexate" 1751 "Thymidylate synthase" "Enzyme" "P07607" "Tyms" "TYSY_MOUSE" 4.35 "Ki" "Inhibitory activity against thymidylate synthase in murine tumor cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL426" "Mus musculus" +"methotrexate" 1751 "Dihydrofolate reductase" "Enzyme" "P00375" "Dhfr" "DYR_MOUSE" 5.41 "Ki" "Binding affinity towards Dihydrofolate reductase derived from L1210 cells using [3H]- MTX as the radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL426" "Mus musculus" +"methotrexate" 1751 "Dihydrofolate reductase" "Enzyme" "P00378" "DHFR" "DYR_CHICK" 7.72 "IC50" "Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL426" "Gallus gallus" +"methotrexate" 1751 "Folylpolyglutamate synthase, mitochondrial" "Enzyme" "Q05932" "FPGS" "FOLC_HUMAN" 5.49 "IC50" "Compound was evaluated for the inhibitory activity against Folyl-polyglutamate synthase from CCRF-CEM human leukemia cells." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL426" "Tchem" "Homo sapiens" +"methotrexate" 1751 "Pteridine reductase 1" "Enzyme" "Q01782" "PTR1" "PTR1_LEIMA" 7.41 "Ki" "Inhibition of Leishmania major recombinant PTR1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL426" "Leishmania major" +"methotrexate" 1751 "Folate transporter 1" "Unclassified" "P41440" "SLC19A1" "S19A1_HUMAN" 5.46 "Ki" "Affinity towards RFC measured by the inhibition of [3H]MTX uptake" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL426" "Tchem" "Homo sapiens" +"methotrexate" 1751 "Folate receptor alpha" "Membrane receptor" "P15328" "FOLR1" "FOLR1_HUMAN" 6.94000005722046 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL426" "Tchem" "Homo sapiens" +"methotrexate" 1751 "Proton-coupled folate transporter" "Transporter" "Q96NT5" "SLC46A1" "PCFT_HUMAN" 6.92000007629395 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL426" "Tchem" "Homo sapiens" +"methotrexate" 1751 "Folate receptor beta" "Membrane receptor" "P14207" "FOLR2" "FOLR2_HUMAN" 6.96999979019165 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL426" "Tchem" "Homo sapiens" +"levomepromazine" 1752 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 9.236572265625 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"levomepromazine" 1752 "Pleiotropic ABC efflux transporter of multiple drugs" "Transporter" "P33302" "PDR5" "PDR5_YEAST" 5.02 "IC50" "Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1764" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"methoxamine" 1753 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 4.9 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL524" "AGONIST" "Tclin" "Homo sapiens" +"methoxamine" 1753 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 4 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=483" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL524" "AGONIST" "Tclin" "Homo sapiens" +"methoxamine" 1753 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 5.44 "IC50" "50% inhibition of specific [3H]clonidine binding (0.4 nM) to Alpha-2 adrenergic receptors in rat isolated brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL524" "Rattus norvegicus" +"methoxamine" 1753 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 5.1 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL524" "AGONIST" "Tclin" "Homo sapiens" +"methoxamine" 1753 "Alpha-1D adrenergic receptor" "GPCR" "P23944" "Adra1d" "ADA1D_RAT" 4.5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=483" "AGONIST" "Rattus norvegicus" +"methoxyflurane" 1754 "GABA-A receptor; anion channel" "Ion channel" "O00591|O14764|P14867|P18505|P18507|P28472|P31644|P34903|P47869|P47870|P48169|P78334|Q16445|Q8N1C3|Q99928|Q9UN88" "GABRA1|GABRA2|GABRA3|GABRA4|GABRA5|GABRA6|GABRB1|GABRB2|GABRB3|GABRD|GABRE|GABRG1|GABRG2|GABRG3|GABRP|GABRQ" "GBRA1_HUMAN|GBRA2_HUMAN|GBRA3_HUMAN|GBRA4_HUMAN|GBRA5_HUMAN|GBRA6_HUMAN|GBRB1_HUMAN|GBRB2_HUMAN|GBRB3_HUMAN|GBRD_HUMAN|GBRE_HUMAN|GBRG1_HUMAN|GBRG2_HUMAN|GBRG3_HUMAN|GBRP_HUMAN|GBRT_HUMAN" "Mechanism of Action; CHEMBL2093872; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1341" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1341" "POSITIVE MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"methoxyflurane" 1754 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB01028" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1341" "AGONIST" "Tclin" "Homo sapiens" +"methscopolamine" 1757 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 9.9 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL376897" "ANTAGONIST" "Tclin" "Homo sapiens" +"methscopolamine" 1757 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 10.4 "Ki" "IUPHAR" "=" 1 "IUPHAR" "ANTAGONIST" "Tclin" "Homo sapiens" +"methscopolamine" 1757 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 10.0100002288818 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL376897" "Tclin" "Homo sapiens" +"methscopolamine" 1757 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 9.81999969482422 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL376897" "Tclin" "Homo sapiens" +"methscopolamine" 1757 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 9.68000030517578 "Ki" "Displacement of [3H]N-methylscopolamine from human muscarinic M5 receptor expressed in CHO cells after 120 mins by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL376897" "Tclin" "Homo sapiens" +"methsuximide" 1758 "Voltage-gated T-type calcium channel" "Ion channel" "O43497|O95180|Q9P0X4" "CACNA1G|CACNA1H|CACNA1I" "CAC1G_HUMAN|CAC1H_HUMAN|CAC1I_HUMAN" "Mechanism of Action; CHEMBL2362995; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL697" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL697" "BLOCKER" "Tclin|Tclin|Tclin" "Homo sapiens" +"methylclothiazide" 1759 "Solute carrier family 12 member 3" "Transporter" "P55017" "SLC12A3" "S12A3_HUMAN" "Mechanism of Action; CHEMBL1876; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1577" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1577" "INHIBITOR" "Tclin" "Homo sapiens" +"metildigoxin" 1761 "Sodium/potassium-transporting ATPase subunit alpha-1" "Transporter" "P05023" "ATP1A1" "AT1A1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"methyldopa" 1762 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.281664421 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"methyldopa" 1762 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.286005732 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"methyldopa" 1762 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.67243674 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" +"methyldopa" 1762 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL459" "AGONIST" "Tclin" "Homo sapiens" +"methyldopa" 1762 "Aromatic-L-amino-acid decarboxylase" "Enzyme" "P20711" "DDC" "DDC_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"methyldopa" 1762 "Lysine-specific demethylase 4E" "Enzyme" "B2RXH2" "KDM4E" "KDM4E_HUMAN" 5.51999998092651 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL459" "Tchem" "Homo sapiens" +"methylthioninium chloride" 1763 "iron" "Inorganic material" "Mechanism of Action (Fe3+ >> Fe2+)" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/10533013" "http://www.ncbi.nlm.nih.gov/pubmed/10533013" "OTHER" +"methylthioninium chloride" 1763 "Cruzipain" "Enzyme" "P25779" "CYSP_TRYCR" 4.26 "IC50" "Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in absence of Triton X-100" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL191083" "Trypanosoma cruzi" +"methylthioninium chloride" 1763 "Glutathione reductase" "Enzyme" "O15770" "GR3" "GSHR_PLAF7" 5.19 "IC50" "Inhibitory concentration against Plasmodium falciparum glutathione reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL191083" "Plasmodium falciparum (isolate 3D7)" +"methylthioninium chloride" 1763 "Glutathione reductase, mitochondrial" "Enzyme" "P00390" "GSR" "GSHR_HUMAN" 4.8 "IC50" "Inhibitory concentration against human glutathione reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL191083" "Tclin" "Homo sapiens" +"methylthioninium chloride" 1763 "Microtubule-associated protein tau" "Structural" "P10636" "MAPT" "TAU_HUMAN" 5.72 "IC50" "Inhibition of human recombinant brain tau protein (412 amino acid residues) filament assembly expressed in Escherichia coli BL21(DE3) by electron microscopic analysis in presence of heparin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL191083" "Tchem" "Homo sapiens" +"methylthioninium chloride" 1763 "Thioredoxin reductase 1, cytoplasmic" "Enzyme" "Q16881" "TXNRD1" "TRXR1_HUMAN" 4.52 "IC50" "Inhibition of human recombinant TrxR1 at pH 7.4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL191083" "Tclin" "Homo sapiens" +"methylthioninium chloride" 1763 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 7.15000009536743 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL191083" "Tclin" "Homo sapiens" +"methylthioninium chloride" 1763 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 5.3600001335144 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL191083" "Tclin" "Homo sapiens" +"methylthioninium chloride" 1763 "Amyloid beta A4 protein" "Unclassified" "P05067" "APP" "A4_HUMAN" 6.26 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL191083" "Homo sapiens" +"methylergometrine" 1764 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 7.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=150" "ANTAGONIST" "Tchem" "Homo sapiens" +"methylergometrine" 1764 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=150" "AGONIST" "Tclin" "Homo sapiens" +"methylergometrine" 1764 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=150" "AGONIST" "Tclin" "Homo sapiens" +"methylergometrine" 1764 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 7.5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=150" "ANTAGONIST" "Tclin" "Homo sapiens" +"methylergometrine" 1764 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.268411235 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200843" "ANTAGONIST" "Tclin" "Homo sapiens" +"methylergometrine" 1764 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.559090918 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"methylergometrine" 1764 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.22475374 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"methylergometrine" 1764 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.632644079 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"methylergometrine" 1764 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 8.928117993 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"methylergometrine" 1764 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.677780705 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"methylergometrine" 1764 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.244125144 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"methylergometrine" 1764 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.698970004 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"methylergometrine" 1764 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 8.033389013 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"methylergometrine" 1764 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 9.1 "Ki" "Displacement of [3H]LSD from human cloned 5HT2B receptor expressed in CHO cells by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200843" "PARTIAL AGONIST" "Tclin" "Homo sapiens" +"methylergometrine" 1764 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 8.39 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200843" "Rattus norvegicus" +"methylergometrine" 1764 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 7.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=150" "AGONIST" "Rattus norvegicus" +"methylergometrine" 1764 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 7.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=150" "AGONIST" "Rattus norvegicus" +"naltrexone" 1765 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 7.99 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19019" "ANTAGONIST" "Tclin" "Homo sapiens" +"naltrexone" 1765 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 8.93 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19019" "ANTAGONIST" "Tclin" "Homo sapiens" +"naltrexone" 1765 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"naltrexone" 1765 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 9.38 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19019" "ANTAGONIST" "Tclin" "Homo sapiens" +"naltrexone" 1765 "Kappa-type opioid receptor" "GPCR" "P41144" "OPRK1" "OPRK_CAVPO" 9.51 "Ki" "Binding affinity towards guinea pig Opioid receptor kappa 1 using radioligand [3H]U-69593" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19019" "Cavia porcellus" +"naltrexone" 1765 "Kappa-type opioid receptor" "GPCR" "P33534" "Oprk1" "OPRK_MOUSE" 8.84 "Ki" "Displacement of [3H]-diprenorphine from mouse kappa opioid receptor expressed in CHO cells after 1.5 hrs" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19019" "Mus musculus" +"naltrexone" 1765 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P36544" "CHRNA7" "ACHA7_HUMAN" 4.6 "IC50" "Blockage of Nicotinic acetylcholine receptor alpha-7 noncompetitively in hippocampal primary cultures" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19019" "Tchem" "Homo sapiens" +"naltrexone" 1765 "Neuronal acetylcholine receptor subunit alpha-4" "Ion channel" "P09483" "Chrna4" "ACHA4_RAT" 4.51 "IC50" "Blockage of Nicotinic acetylcholine receptor alpha4-beta2 noncompetitively in acute hippocampal slices" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19019" "Rattus norvegicus" +"naltrexone" 1765 "Delta-type opioid receptor" "GPCR" "P32300" "Oprd1" "OPRD_MOUSE" 7.91 "Ki" "Displacement of [3H]DPDPE from mouse delta opioid receptor in whole brain without cerebellum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19019" "Mus musculus" +"naltrexone" 1765 "Mu-type opioid receptor" "GPCR" "P97266" "OPRM1" "OPRM_CAVPO" 9.77 "Ki" "Binding affinity towards Opioid receptor mu 1 of guinea pig brain membranes using radioligand 0.25 nM [3H]DAMGO" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19019" "Cavia porcellus" +"naltrexone" 1765 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprk1|Oprm1|Sigmar1" "OPRD_RAT|OPRK_RAT|OPRM_RAT|SGMR1_RAT" 9.26 "Ki" "Inhibition of [3H]diprenorphine binding to rat brain membrane opioid receptors;(T= total opioid receptor family)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19019" "Rattus norvegicus" +"naltrexone" 1765 "Opioid receptors; mu and delta" "GPCR" "P32300|P42866" "Oprd1|Oprm1" "OPRD_MOUSE|OPRM_MOUSE" 9.06 "Ki" "Displacement of [3H]-DAMGO from mouse MOR/DOR expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19019" "Mus musculus" +"naltrexone" 1765 "Mu-type opioid receptor" "GPCR" "P42866" "Oprm1" "OPRM_MOUSE" 9.58 "Ki" "Displacement of [3H]DAMGO from mouse mu opioid receptor in whole brain without cerebellum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19019" "Mus musculus" +"naltrexone" 1765 "Kappa-type opioid receptor" "GPCR" "P34975" "Oprk1" "OPRK_RAT" 8.97 "Ki" "Displacement of [3H]U69593 from kappa opioid receptor in rat brain homogenate after 1 hr by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19019" "Rattus norvegicus" +"naltrexone" 1765 "Delta-type opioid receptor" "GPCR" "P33533" "Oprd1" "OPRD_RAT" 8.32 "Ki" "In vito concentration required to displace [3H]DADLE (Kd = 12.2 nM and concentration is 2.1 nM) from low affinity delta-site in rat brain membranes." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19019" "Rattus norvegicus" +"naltrexone" 1765 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 9.34 "Ki" "Displacement of [3H]DAMGO from mu opioid receptor in rat brain homogenate after 1 hr by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19019" "Rattus norvegicus" +"methylparaben" 1766 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5.59 "Ki" "Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325372" "Tclin" "Homo sapiens" +"methylparaben" 1766 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.47 "Ki" "Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325372" "Tclin" "Homo sapiens" +"methylparaben" 1766 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 5.39 "Ki" "Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325372" "Tclin" "Homo sapiens" +"methylparaben" 1766 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 6.11 "Ki" "Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325372" "Tclin" "Homo sapiens" +"methylparaben" 1766 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 5.26 "Ki" "Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325372" "Tclin" "Homo sapiens" +"methylparaben" 1766 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 6.09 "Ki" "Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325372" "Tclin" "Homo sapiens" +"methylphenidate" 1767 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.06752634048462 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"methylphenidate" 1767 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.61493015289307 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"methylphenidate" 1767 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.25181198120117 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"methylphenidate" 1767 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 7.08 "IC50" "Tested for the ability to bind stereoselectively and enantioselectively to the dopamine transporter (DAT); Value ranges from 34 - 83 nM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL796" "Rattus norvegicus" +"methylphenidate" 1767 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.96 "Ki" "Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL796" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL796" "INHIBITOR" "Tclin" "Homo sapiens" +"methylphenidate" 1767 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.18 "Ki" "Displacement of [125I]RTI-55 from human NET expressing HEK293 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL796" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL796" "INHIBITOR" "Tclin" "Homo sapiens" +"methylphenidate" 1767 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 4.19 "Ki" "Displacement of [125I]RTI-55 from human SERT expressing HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL796" "Tclin" "Homo sapiens" +"methylprednisolone" 1768 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.5 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL650" "AGONIST" "Tclin" "Homo sapiens" +"methylprednisolone" 1768 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 4.749921712 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"methylprednisolone" 1768 "Annexin A1" "Cytosolic other" "P04083" "ANXA1" "ANXA1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"methylprednisolone acetate" 1770 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/011757s103lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"methylprednisolone succinate" 1771 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action; CHEMBL2034; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201081" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201081" "AGONIST" "Tclin" "Homo sapiens" +"methyprylon" 1774 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRB3|GABRG2" "GBRA1_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200790" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"methysergide" 1775 "5-hydroxytryptamine receptor 5A" "Unclassified" "P30966" "Htr5a" "5HT5A_MOUSE" 7.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=134" "ANTAGONIST" "Mus musculus" +"methysergide" 1775 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 6.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=134" "ANTAGONIST" "Rattus norvegicus" +"methysergide" 1775 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 8.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=134" "ANTAGONIST" "Tclin" "Homo sapiens" +"methysergide" 1775 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 7.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=134" "ANTAGONIST" "Tclin" "Homo sapiens" +"methysergide" 1775 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=134" "ANTAGONIST" "Tclin" "Homo sapiens" +"methysergide" 1775 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=134" "ANTAGONIST" "Tchem" "Homo sapiens" +"methysergide" 1775 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 6.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=134" "ANTAGONIST" "Tchem" "Homo sapiens" +"methysergide" 1775 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=134" "ANTAGONIST" "Tchem" "Homo sapiens" +"methysergide" 1775 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 8.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=134" "ANTAGONIST" "Tclin" "Homo sapiens" +"methysergide" 1775 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.326058001 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"methysergide" 1775 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.57024772 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"methysergide" 1775 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.21395879 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"methysergide" 1775 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.508638306 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "PARTIAL AGONIST" "Tclin" "Homo sapiens" +"methysergide" 1775 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.662540739 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"methysergide" 1775 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.229147988 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"methysergide" 1775 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 6.966576245 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"methysergide" 1775 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 7.9 "Ki" "Binding affinity towards 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1065" "Rattus norvegicus" +"methysergide" 1775 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2a|Htr2b|Htr2c" "5HT2A_RAT|5HT2B_RAT|5HT2C_RAT" 8.28 "Ki" "Binding affinity which represents concentration giving half-maximal inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor from rat tissue homogenate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1065" "Rattus norvegicus" +"methysergide" 1775 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.04 "IC50" "The compound was tested for affinity towards sigma-3 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1065" "Tclin" "Homo sapiens" +"methysergide" 1775 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 8.8 "Ki" "Binding affinity to 5-hydroxytryptamine 2A receptor from rat cortex assayed using [3H]ketanserin as radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1065" "Rattus norvegicus" +"methysergide" 1775 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.054039296 "Ki" "PDSP" "Tclin" "Homo sapiens" +"methysergide" 1775 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.522878745 "Ki" "PDSP" "Tclin" "Homo sapiens" +"methysergide" 1775 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.334231449 "Ki" "PDSP" "Tclin" "Homo sapiens" +"methysergide" 1775 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.262886906 "Ki" "PDSP" "Tclin" "Homo sapiens" +"methysergide" 1775 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.212823008 "Ki" "PDSP" "Tclin" "Homo sapiens" +"methysergide" 1775 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.44999980926514 "Ki" "Displacement of [3H]ketanserin from human 5HT2AR expressed in HEK-293 cells" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/15322733" "AGONIST" "Tclin" "Homo sapiens" +"methysergide" 1775 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 9.34000015258789 "Ki" "Displacement of [3H]mesulergine from human HTR2B expressed in CHO-K1 cells" "SCIENTIFIC LITERATURE" "=" 1 "IUPHAR" "http://www.ncbi.nlm.nih.gov/pubmed/15322733" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=134" "AGONIST" "Tclin" "Homo sapiens" +"methysergide" 1775 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.34000015258789 "Ki" "Displacement of [3H]mesulergine from human HTR2B expressed in HEK-293 cells" "SCIENTIFIC LITERATURE" "=" 1 "IUPHAR" "http://www.ncbi.nlm.nih.gov/pubmed/15322733" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=134" "AGONIST" "Tclin" "Homo sapiens" +"methysergide" 1775 "Induced myeloid leukemia cell differentiation protein Mcl-1" "Cytosolic other" "Q07820" "MCL1" "MCL1_HUMAN" 4.69000005722046 "IC50" "PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of myeloid cell leukemia sequence 1 (MCL1) interactions with BIM-BH3 peptide. (Class of assay: confirmatory) [Related pubchem assays: 2090 (Summary AID.), 2057 (Screening assay (MCL1 inhibitors).), 2168 (Screening assay (MCL1 inhibitors).)]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1065" "Tchem" "Homo sapiens" +"methysergide" 1775 "Bcl-2-like protein 1" "Cytosolic other" "Q07817" "BCL2L1" "B2CL1_HUMAN" 4.65000009536743 "IC50" "PUBCHEM_BIOASSAY: Counterscreen for inhibitors of MCL1: fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of BCL2-related protein, long isoform (BCLXL). (Class of assay: confirmatory) [Related pubchem assays: 2129 (Screening assay (BCLXL inhibitors).), 2057 (Screening assay (MCL-1 inhibitors).), 2144 (Summary AID.), 2166 (Screening assay (BCLXL inhibitors).)]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1065" "Tchem" "Homo sapiens" +"methysergide" 1775 "Cytoplasmic zinc-finger protein" "Unclassified" "G5EF15" "pos-1" "G5EF15_CAEEL" 4.99 "EC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1065" "Caenorhabditis elegans" +"methysergide" 1775 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 7.27 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1065" "Rattus norvegicus" +"methysergide" 1775 "Zinc finger protein mex-5" "Cytosolic other" "Q9XUB2" "mex-5" "MEX5_CAEEL" 4.91 "EC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1065" "Caenorhabditis elegans" +"methysergide" 1775 "5-hydroxytryptamine receptor 1F" "Unclassified" "P30940" "Htr1f" "5HT1F_RAT" 7.8 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=134" "ANTAGONIST" "Rattus norvegicus" +"methysergide" 1775 "5-hydroxytryptamine receptor 7" "GPCR" "P32304" "Htr7" "5HT7R_MOUSE" 7.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=134" "ANTAGONIST" "Mus musculus" +"methysergide" 1775 "5-hydroxytryptamine receptor 5A" "Unclassified" "P35364" "Htr5a" "5HT5A_RAT" 6.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=134" "ANTAGONIST" "Rattus norvegicus" +"metipranolol" 1779 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" "Mechanism of Action; CHEMBL213; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1291" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1291" "ANTAGONIST" "Tclin" "Homo sapiens" +"metipranolol" 1779 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" "Mechanism of Action; CHEMBL210; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1291" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1291" "ANTAGONIST" "Tclin" "Homo sapiens" +"metixene" 1780 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 5.8 "IC50" "Inhibition of Equine serum BChE using butyrylthiocholine iodide as a substrate after 20 mins by Ellman's assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200426" "Equus caballus" +"metixene" 1780 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "Mechanism of Action; CHEMBL216; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200426" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200426" "ANTAGONIST" "Tclin" "Homo sapiens" +"metixene" 1780 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" "Mechanism of Action; CHEMBL225; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200426" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200426" "ANTAGONIST" "Tclin" "Homo sapiens" +"metochalcone" 1781 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" 5.72 "IC50" "Inhibition of human BCRP expressed in MDCK2 cells assessed as Hoechst 33342 accumulation preincubated for 30 mins by fluorimetry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL36584" "Tchem" "Homo sapiens" +"metoclopramide" 1782 "5-hydroxytryptamine receptor 4" "GPCR" "Q13639" "HTR4" "5HT4R_HUMAN" 6 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL86" "AGONIST" "Tclin" "Homo sapiens" +"metoclopramide" 1782 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 6.699 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL86" "ANTAGONIST" "Tclin" "Homo sapiens" +"metoclopramide" 1782 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.991399828 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"metoclopramide" 1782 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.978810701 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"metoclopramide" 1782 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.396855627 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"metoclopramide" 1782 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.903785415 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"metoclopramide" 1782 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.096910013 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"metoclopramide" 1782 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2a|Htr2b|Htr2c" "5HT2A_RAT|5HT2B_RAT|5HT2C_RAT" 4.88 "IC50" "Inhibitory activity against 5-hydroxytryptamine 2 receptor by 3H ligand binding experiments." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL86" "Rattus norvegicus" +"metoclopramide" 1782 "Serotonin 3 receptor (5HT3)" "Ion channel" "P23979|Q9JHJ5" "Htr3a|Htr3b" "5HT3A_MOUSE|5HT3B_MOUSE" 6.7 "Ki" "Compound was evaluated for the binding affinity at 5- HT3 receptor subtype" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL86" "Mus musculus" +"metoclopramide" 1782 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 5.11 "IC50" "Inhibitory activity against alpha-2 adrenergic receptor by 3H ligand binding experiments." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL86" "Rattus norvegicus" +"metoclopramide" 1782 "Serotonin 1 (5-HT1) receptor" "GPCR" "P19327|P28564|P28565|P30940" "Htr1a|Htr1b|Htr1d|Htr1f" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT" 5.11 "IC50" "Inhibitory activity against 5-hydroxytryptamine 1 receptor by 3H ligand binding experiments." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL86" "Rattus norvegicus" +"metoclopramide" 1782 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 6.98 "Ki" "Compound was evaluated for binding affinity towards DA D-2 receptor using radioligand [3H]SPI" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL86" "Rattus norvegicus" +"metoclopramide" 1782 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.02 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL86" "Tchem" "Homo sapiens" +"metoclopramide" 1782 "Serotonin 3 (5-HT3) receptor" "Ion channel" "P35563|Q9JJ16" "Htr3a|Htr3b" "5HT3A_RAT|5HT3B_RAT" 6.68 "Ki" "Inhibition of [3H]GR-65630 binding to rat cortical membrane serotonin 5-hydroxytryptamine 3 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL86" "Rattus norvegicus" +"metoclopramide" 1782 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 4.48 "IC50" "Inhibitory activity against Alpha-1 adrenergic receptor by 3H ligand binding experiments." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL86" "Rattus norvegicus" +"metoclopramide" 1782 "D(2) dopamine receptor" "GPCR" "P20288" "DRD2" "DRD2_BOVIN" 7.1 "Ki" "Compound was evaluated for the binding affinity at Dopamine receptor D2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL86" "Bos taurus" +"metoclopramide" 1782 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 7.21 "IC50" "Concentration of compound required to inhibit the binding of radioligand [3H](R)-7-OH-DPAT to Dopamine receptor D3 in rat striatum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL86" "Rattus norvegicus" +"metoclopramide" 1782 "5-hydroxytryptamine receptor 4" "GPCR" "Q62758" "Htr4" "5HT4R_RAT" 6.05 "Ki" "Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatum by [3H]GR-113808 displacement." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL86" "Rattus norvegicus" +"metoclopramide" 1782 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 6.26 "Ki" "Inhibition of [3H]GR-113808 binding to guinea pig striatum 5-hydroxytryptamine 4 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL86" "Cavia porcellus" +"metoclopramide" 1782 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.1938 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL86" "ANTAGONIST" "Tclin" "Homo sapiens" +"metoclopramide" 1782 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 4.5086 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"metoclopramide" 1782 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"metoclopramide" 1782 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.66 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"metoclopramide" 1782 "Serotonin 3 (5-HT3) receptor" "Ion channel" "A5X5Y0|O95264|P46098|Q70Z44|Q8WXA8" "HTR3A|HTR3B|HTR3C|HTR3D|HTR3E" "5HT3A_HUMAN|5HT3B_HUMAN|5HT3C_HUMAN|5HT3D_HUMAN|5HT3E_HUMAN" 7.30000019073486 "Kd" "Potency at neuronal 5-hydroxytryptamine 3 receptors in the rabbit heart" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL86" "Tchem|Tchem|Tchem|Tchem|Tclin" "Homo sapiens" +"metoclopramide" 1782 "D(2) dopamine receptor" "GPCR" "P61168" "Drd2" "DRD2_MOUSE" 7.54 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=241" "ANTAGONIST" "Mus musculus" +"metoclopramide" 1782 "5-hydroxytryptamine receptor 4" "Unclassified" "P97288" "Htr4" "5HT4R_MOUSE" 6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=241" "AGONIST" "Mus musculus" +"metolazone" 1783 "Solute carrier family 12 member 1" "Transporter" "Q13621" "SLC12A1" "S12A1_HUMAN" 8.45 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"metolazone" 1783 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 8.68 "Ki" "Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL878" "Tclin" "Homo sapiens" +"metolazone" 1783 "Solute carrier family 12 member 3" "Transporter" "P55017" "SLC12A3" "S12A3_HUMAN" "Mechanism of Action; CHEMBL1876; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL878" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL878" "INHIBITOR" "Tclin" "Homo sapiens" +"metoprolol" 1786 "Adrenergic receptor beta" "GPCR" "P10608|P18090|P26255" "Adrb1|Adrb2|Adrb3" "ADRB1_RAT|ADRB2_RAT|ADRB3_RAT" 6.3 "IC50" "The compound was tested for its ability to inhibit (-)-[3H]dihydroalprenolol binding to beta-adrenergic receptor sites in rat cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL13" "Rattus norvegicus" +"metoprolol" 1786 "Beta-2 adrenergic receptor" "GPCR" "Q8K4Z4" "Adrb2" "ADRB2_CAVPO" 6.79 "Kd" "In vitro beta-2 adrenergic receptor activity was determined by measuring inhibition of the isoproterenol induced relaxation in isolated guinea pig tracheal chains contracted with PGF2-alpha" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL13" "Cavia porcellus" +"metoprolol" 1786 "Beta-1 adrenergic receptor" "GPCR" "B0FL73" "ADRB1" "B0FL73_CAVPO" 7.83 "Kd" "In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea pig atrial preparations" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL13" "Cavia porcellus" +"metoprolol" 1786 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 7.6 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL13" "ANTAGONIST" "Tclin" "Homo sapiens" +"metoprolol" 1786 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.3 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"metoprolol" 1786 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL13" "Rattus norvegicus" +"metyrapone" 1791 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6.096910013 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"metyrapone" 1791 "Cytochrome P450 11B1, mitochondrial" "Enzyme" "P15538" "CYP11B1" "C11B1_HUMAN" 7.84 "IC50" "Inhibition of human steroid-11beta-hydroxylase expressed in chinese hamster V79 cells using 11-deoxycorticosterone as substrate" "CHEMBL" "=" 1 "DRUG LABEL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL934" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/012911Orig1s033lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"metyrapone" 1791 "Cytochrome P450 11B1" "Unclassified" "P15150" "CYP11B1" "C11B1_BOVIN" 6.24 "Ki" "Inhibition of bovine adrenal gland 11beta-hydroxylase assessed as inhibition of [14C]-deoxycorticosterone hydroxylation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL934" "Bos taurus" +"metyrapone" 1791 "Cytochrome P450 11B2, mitochondrial" "Enzyme" "P19099" "CYP11B2" "C11B2_HUMAN" 7.38 "IC50" "Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL934" "Tchem" "Homo sapiens" +"metyrapone" 1791 "Cytochrome P450 11B1, mitochondrial" "Unclassified" "P15393" "Cyp11b1" "C11B1_RAT" 5.34 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL934" "Rattus norvegicus" +"metirosine" 1792 "Tyrosine 3-monooxygenase" "Enzyme" "P07101" "TH" "TY3H_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00765" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200862" "INHIBITOR" "Tclin" "Homo sapiens" +"mexiletine" 1794 "Sodium channel protein type 4 subunit alpha" "Ion channel" "P35499" "SCN4A" "SCN4A_HUMAN" 4.38 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL558" "BLOCKER" "Tclin" "Homo sapiens" +"mexiletine" 1794 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.140261434 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mexiletine" 1794 "Sodium channel protein type 10 subunit alpha" "Ion channel" "Q9Y5Y9" "SCN10A" "SCNAA_HUMAN" 4.25 "IC50" "Inhibition of human recombinant Nav1.8 channel expressed in HEK293 cells by whole cell voltage clamp technique" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL558" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL558" "BLOCKER" "Tclin" "Homo sapiens" +"mexiletine" 1794 "Sodium channel protein type 9 subunit alpha" "Ion channel" "Q15858" "SCN9A" "SCN9A_HUMAN" 4.89 "Ki" "Binding affinity to inactivated human sodium channel Nav1.7 expressed in human HEK293 cells by patch-clamp electrophysiological assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL558" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL558" "BLOCKER" "Tclin" "Homo sapiens" +"mexiletine" 1794 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL558" "Tclin" "Homo sapiens" +"mexiletine" 1794 "Sodium channel protein type X alpha subunit" "Unclassified" "Q62968" "Scn10a" "SCNAA_RAT" 4.51 "IC50" "Blockade of Nav1.8 channel in rat dorsal root ganglion neurons assessed as inhibition of TTX-R current by whole cell patch clamp technique" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL558" "Rattus norvegicus" +"mexiletine" 1794 "Sodium channel protein type 2 subunit alpha" "Ion channel" "Q99250" "SCN2A" "SCN2A_HUMAN" 5.54 "IC50" "Inhibition of human recombinant Nav1.2 channel expressed in HEK293 cells by whole cell voltage clamp technique" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL558" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL558" "BLOCKER" "Tclin" "Homo sapiens" +"mexiletine" 1794 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" 4.53 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL558" "BLOCKER" "Tclin" "Homo sapiens" +"mexiletine" 1794 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.2596 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"mexiletine" 1794 "Sodium channel subunit beta-4" "Ion channel" "Q8IWT1" "SCN4B" "SCN4B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"mexiletine" 1794 "Sodium channel subunit beta-3" "Ion channel" "Q9NY72" "SCN3B" "SCN3B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"mexiletine" 1794 "Sodium channel subunit beta-2" "Ion channel" "O60939" "SCN2B" "SCN2B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"mexiletine" 1794 "Sodium channel subunit beta-1" "Ion channel" "Q07699" "SCN1B" "SCN1B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"mexiletine" 1794 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4" "Ion channel" "Q9Y3Q4" "HCN4" "HCN4_HUMAN" 3.51 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mexiletine" 1794 "Sodium channel protein type 1 subunit alpha" "Ion channel" "P35498" "SCN1A" "SCN1A_HUMAN" 4.96 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL558" "Tclin" "Homo sapiens" +"mexiletine" 1794 "Sodium channel protein type 9 subunit alpha" "Unclassified" "Q62205" "Scn9a" "SCN9A_MOUSE" 4.96 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL558" "Mus musculus" +"mezlocillin" 1795 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" +"mezlocillin" 1795 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mezlocillin" 1795 "Serum albumin" "Secreted" "P02768" "ALB" "ALBU_HUMAN" 4.18 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"mezlocillin" 1795 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.17 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mezlocillin" 1795 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" 4.01 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mezlocillin" 1795 "Interleukin-8" "Cytokine" "P10145" "CXCL8" "IL8_HUMAN" 7.3 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"mezlocillin" 1795 "Cytochrome P450 2C8" "Enzyme" "P10632" "CYP2C8" "CP2C8_HUMAN" 6.74 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"mezlocillin" 1795 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 4.72 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"mezlocillin" 1795 "Interleukin-1 receptor type 1" "Membrane receptor" "P14778" "IL1R1" "IL1R1_HUMAN" 6.52 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mezlocillin" 1795 "Aldose reductase" "Enzyme" "P15121" "AKR1B1" "ALDR_HUMAN" 5.34 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mezlocillin" 1795 "Cannabinoid receptor 1" "GPCR" "P21554" "CNR1" "CNR1_HUMAN" 4 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mezlocillin" 1795 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 6.41 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mezlocillin" 1795 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.25 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"mezlocillin" 1795 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" 4.92 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"mezlocillin" 1795 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 4.89 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"mezlocillin" 1795 "Cannabinoid receptor 2" "GPCR" "P34972" "CNR2" "CNR2_HUMAN" 4.2 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"mezlocillin" 1795 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P34995" "PTGER1" "PE2R1_HUMAN" 4.33 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mezlocillin" 1795 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.22 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mezlocillin" 1795 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P35408" "PTGER4" "PE2R4_HUMAN" 4.33 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mezlocillin" 1795 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 4.3 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mezlocillin" 1795 "Prostaglandin-H2 D-isomerase" "Enzyme" "P41222" "PTGDS" "PTGDS_HUMAN" 6.3 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"mezlocillin" 1795 "Aldo-keto reductase family 1 member C3" "Enzyme" "P42330" "AKR1C3" "AK1C3_HUMAN" 6.12 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"mezlocillin" 1795 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P43115" "PTGER3" "PE2R3_HUMAN" 4.33 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mezlocillin" 1795 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "P43116" "PTGER2" "PE2R2_HUMAN" 6.68 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mezlocillin" 1795 "Prostaglandin D2 receptor" "GPCR" "Q13258" "PTGDR" "PD2R_HUMAN" 4.92 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mezlocillin" 1795 "Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A" "Enzyme" "Q9HCR9" "PDE11A" "PDE11_HUMAN" 5.13 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"mezlocillin" 1795 "Prostaglandin D2 receptor 2" "GPCR" "Q9Y5Y4" "PTGDR2" "PD2R2_HUMAN" 6.26 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"mezlocillin" 1795 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1731" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1731" "INHIBITOR" "Escherichia coli (strain K12)" +"mianserin" 1796 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 7.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=135" "ANTAGONIST" "Rattus norvegicus" +"mianserin" 1796 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.02687215805054 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"mianserin" 1796 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.39794015884399 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"mianserin" 1796 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=135" "ANTAGONIST" "Tclin" "Homo sapiens" +"mianserin" 1796 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=135" "ANTAGONIST" "Tclin" "Homo sapiens" +"mianserin" 1796 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.003488328 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mianserin" 1796 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.46470588 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mianserin" 1796 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.416801226 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mianserin" 1796 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.525783736 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mianserin" 1796 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.540607512 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mianserin" 1796 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.638272164 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mianserin" 1796 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 6.209714836 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT3 radioligand binding (ligand: [3H] GR-65630)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mianserin" 1796 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.180456064 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"mianserin" 1796 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 5.54 "IC50" "The binding affinity at the 5-HT reuptake sites determined using competition binding assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6437" "Rattus norvegicus" +"mianserin" 1796 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2a|Htr2b|Htr2c" "5HT2A_RAT|5HT2B_RAT|5HT2C_RAT" 8.96 "Ki" "Binding affinity towards 5-hydroxytryptamine 2 receptor at 1.0 uM concentration" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6437" "Rattus norvegicus" +"mianserin" 1796 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.55 "Ki" "Inhibition of [125I]iodosulpiride binding to human Dopamine receptor D3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6437" "Tclin" "Homo sapiens" +"mianserin" 1796 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.66 "Ki" "Inhibition of [3H]-spiperone binding to human Dopamine receptor D2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6437" "Tclin" "Homo sapiens" +"mianserin" 1796 "Muscarinic acetylcholine receptor M5" "GPCR" "P08911" "Chrm5" "ACM5_RAT" 5.72 "IC50" "Binding affinity towards muscarinic acetylcholine receptor by inhibiting specific binding of [3H]quinuclidinyl benzilate (0.8 nM) in vitro to membranes of rat brain without cerebellum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6437" "Rattus norvegicus" +"mianserin" 1796 "Serotonin 3 receptor (5HT3)" "Ion channel" "P23979|Q9JHJ5" "Htr3a|Htr3b" "5HT3A_MOUSE|5HT3B_MOUSE" 6.6 "Ki" "The binding affinity was measured for 5-hydroxytryptamine 3 receptor on NG 108-15 cell line of mouse neuroblastoma-glioma cells in presence of [3H]5 radioligand (in vitro)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6437" "Mus musculus" +"mianserin" 1796 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 10.15 "IC50" "Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6437" "Rattus norvegicus" +"mianserin" 1796 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 7.21 "Ki" "Binding affinity towards alpha-2 adrenergic receptor at 1.0 uM concentration" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6437" "Rattus norvegicus" +"mianserin" 1796 "Serotonin 1 (5-HT1) receptor" "GPCR" "P19327|P28564|P28565|P30940" "Htr1a|Htr1b|Htr1d|Htr1f" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT" 6.24 "Ki" "Binding affinity towards serotonin S1 receptor at 1.0 uM concentration" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6437" "Rattus norvegicus" +"mianserin" 1796 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 7.37 "Ki" "Displacement of [3H]prazosin from calf cerebral cortex alpha-1 adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6437" "Bos taurus" +"mianserin" 1796 "Cerebral cortex alpha adrenergic receptor" "GPCR" "P18130|Q28838" "ADRA1A|ADRA2A" "ADA1A_BOVIN|ADA2A_BOVIN" 8.22 "IC50" "In vitro binding affinity towards alpha-adrenoceptor of calf cortex membrane Site B using [3H]-clonidine" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6437" "Bos taurus" +"mianserin" 1796 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.33 "Ki" "Binding affinity (Ki) to rat cortical membranes at 5-HT1B binding site by using [125 I] ICYP as a radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6437" "Rattus norvegicus" +"mianserin" 1796 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 5.85 "Ki" "Inhibition of [3H]SCH-23390 binding to rat Dopamine receptor D1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6437" "Rattus norvegicus" +"mianserin" 1796 "Alpha-2A adrenergic receptor" "GPCR" "Q28838" "ADRA2A" "ADA2A_BOVIN" 7.77 "Ki" "Binding activity against alpha-2 adrenergic receptor from calf cerebral cortex, using [3H]clonidine as the radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6437" "Bos taurus" +"mianserin" 1796 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 6.08 "Ki" "Binding affinity towards Dopamine receptor D2 at 1.0 uM concentration" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6437" "Rattus norvegicus" +"mianserin" 1796 "Serotonin 3 (5-HT3) receptor" "Ion channel" "P35563|Q9JJ16" "Htr3a|Htr3b" "5HT3A_RAT|5HT3B_RAT" 7.15 "Ki" "The binding affinity at 5-hydroxytryptamine 3 receptor was determined using [3H]LY-278584" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6437" "Rattus norvegicus" +"mianserin" 1796 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 7.59 "Ki" "Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6437" "Rattus norvegicus" +"mianserin" 1796 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.48 "IC50" "Binding affinity for human cloned Dopamine receptor D4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6437" "Tchem" "Homo sapiens" +"mianserin" 1796 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 7.2 "Ki" "Binding affinity towards 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6437" "Rattus norvegicus" +"mianserin" 1796 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 8.85 "Ki" "The binding affinity at 5-hydroxytryptamine 2C receptor was determined using [3H]mesulergine" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6437" "Rattus norvegicus" +"mianserin" 1796 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.26 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6437" "Tclin|Tclin|Tclin" "Homo sapiens" +"mianserin" 1796 "G-protein coupled receptor" "Unclassified" "Q9NG02" "tyr1" "Q9NG02_APIME" 4.14 "IC50" "Antagonist activity at Apis mellifera tyramine receptor TyR1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6437" "Apis mellifera" +"mianserin" 1796 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 5.82 "Ki" "Tested for binding affinity against dopamine receptor D3 expressed in Sf9 cells." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6437" "Rattus norvegicus" +"mianserin" 1796 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 8.82 "Ki" "The binding affinity at 5-hydroxytryptamine 2A receptor was determined using [3H]ketanserin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6437" "Rattus norvegicus" +"mianserin" 1796 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 6.39 "IC50" "Binding affinity for human cloned Alpha-1A adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6437" "Tclin" "Homo sapiens" +"mianserin" 1796 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 8.06 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mianserin" 1796 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 8.4202 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mianserin" 1796 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 6.99 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mianserin" 1796 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.53 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mianserin" 1796 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 6.1249 "EC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"mianserin" 1796 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 9.2454 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mianserin" 1796 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.5686 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mianserin" 1796 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 7.06 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mianserin" 1796 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.1748 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"mianserin" 1796 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.5204 "Ki" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=135" "ANTAGONIST" "Tclin" "Homo sapiens" +"mianserin" 1796 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.12 "Ki" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=135" "ANTAGONIST" "Tclin" "Homo sapiens" +"mianserin" 1796 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.17 "Ki" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=135" "ANTAGONIST" "Tclin" "Homo sapiens" +"mianserin" 1796 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.13 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mianserin" 1796 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.1487 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mianserin" 1796 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 8.3188 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mianserin" 1796 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mianserin" 1796 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 9.07 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6437" "Cavia porcellus" +"mianserin" 1796 "5-hydroxytryptamine receptor 1B" "Unclassified" "P28334" "Htr1b" "5HT1B_MOUSE" 8.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=135" "ANTAGONIST" "Mus musculus" +"mianserin" 1796 "5-hydroxytryptamine receptor 7" "GPCR" "P32304" "Htr7" "5HT7R_MOUSE" 7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=135" "ANTAGONIST" "Mus musculus" +"mibefradil" 1797 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 6.6021 "IC50" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/18974361" "BLOCKER" "Tclin" "Homo sapiens" +"mibefradil" 1797 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" 4.9 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2522" "BLOCKER" "Tclin" "Homo sapiens" +"mibefradil" 1797 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.8 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"mibefradil" 1797 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6.22 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mibefradil" 1797 "Cation channel sperm-associated protein 1" "Ion channel" "Q8NEC5" "CATSPER1" "CTSR1_HUMAN" 4.5 "IC50" "Patch clamp electrophysiology, kinetic rapid mixing fluometry" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2522" "BLOCKER" "Tchem" "Homo sapiens" +"mibefradil" 1797 "Cation channel sperm-associated protein 2" "Ion channel" "Q96P56" "CATSPER2" "CTSR2_HUMAN" 4.5 "IC50" "Patch clamp electrophysiology and kinetic rapid mixing fluometry." "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2522" "BLOCKER" "Tchem" "Homo sapiens" +"mibefradil" 1797 "Cation channel sperm-associated protein 3" "Ion channel" "Q86XQ3" "CATSPER3" "CTSR3_HUMAN" 4.5 "IC50" "Patch clamp electrophysiology, kinetic rapid mixing fluometry." "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2522" "BLOCKER" "Tchem" "Homo sapiens" +"mibefradil" 1797 "Cation channel sperm-associated protein 4" "Ion channel" "Q7RTX7" "CATSPER4" "CTSR4_HUMAN" 4.5 "IC50" "Patch clamp electrophysiology, kinetic rapid mixing fluometry." "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2522" "BLOCKER" "Tchem" "Homo sapiens" +"mibefradil" 1797 "Voltage-dependent T-type calcium channel subunit alpha-1I" "Ion channel" "Q9P0X4" "CACNA1I" "CAC1I_HUMAN" 6.9 "IC50" "Inhibition of T-type calcium channel alpha1I by FLIPR" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL45816" "Tclin" "Homo sapiens" +"mibefradil" 1797 "Voltage-dependent T-type calcium channel subunit alpha-1G" "Ion channel" "O43497" "CACNA1G" "CAC1G_HUMAN" 6.7 "IC50" "Inhibition of human Cav3.1 alpha1G expressed in HEK293 cells assessed as inhibition of calcium influx by FLIPR assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL45816" "Tclin" "Homo sapiens" +"mibefradil" 1797 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.72 "Ki" "Binding affinity at hERG expressed in HEK293 cells by fluorescence polarization assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL45816" "Tclin" "Homo sapiens" +"mibefradil" 1797 "Voltage-dependent N-type calcium channel subunit alpha-1B" "Ion channel" "Q00975" "CACNA1B" "CAC1B_HUMAN" 5.87 "IC50" "Inhibition of N-type calcium channel Alpha-1B" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL45816" "Tclin" "Homo sapiens" +"mibefradil" 1797 "Voltage-dependent P/Q-type calcium channel subunit alpha-1A" "Unclassified" "P54282" "Cacna1a" "CAC1A_RAT" 6.5 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2522" "GATING INHIBITOR" "Rattus norvegicus" +"mibefradil" 1797 "Voltage-dependent R-type calcium channel subunit alpha-1E" "Unclassified" "Q07652" "Cacna1e" "CAC1E_RAT" 6.4 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2522" "GATING INHIBITOR" "Rattus norvegicus" +"micafungin" 1798 "Beta-1,3-glucan synthase" "Unclassified" "Q5AIC4" "GSC1" "Q5AIC4_CANAL" "WOMBAT-PK" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"micafungin" 1798 "Beta-1,3-glucan synthase catalytic subunit 1" "Enzyme" "O13428" "GSC1" "O13428_CANAX" "Mechanism of Action; CHEMBL2364673; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL457547" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL457547" "INHIBITOR" "Candida albicans" +"miconazole" 1800 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.136915175 "Ki" "DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 4.587640268 "IC50" "DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "Cannabinoid receptor 1" "GPCR" "P21554" "CNR1" "CNR1_HUMAN" 4.779525794 "Ki" "DRUGMATRIX: Cannabinoid CB1 radioligand binding (ligand: [3H] SR141716A)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.609064893 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.505288975 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.38007229 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 5.096801453 "Ki" "DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.827689031 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 7 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.382999659 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.535361441 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.183427304 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.952335805 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.452348342 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.555330769 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.29627884 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"miconazole" 1800 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.784626847 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.964170175 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.178028182 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.019542108 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.811915626 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.175223538 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.350665141 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.386052523 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.869023308 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 5.136498699 "Ki" "DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.798876103 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"miconazole" 1800 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.271321633 "Ki" "DRUGMATRIX: Dopamine D4.2 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"miconazole" 1800 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.8247782 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.57888987 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.922995673 "Ki" "DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 4.729111635 "IC50" "DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 6.698970004 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"miconazole" 1800 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 4.533785053 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "Substance-P receptor" "GPCR" "P25103" "TACR1" "NK1R_HUMAN" 5.429924295 "Ki" "DRUGMATRIX: Tachykinin NK1 radioligand binding (ligand: [3H] Substance P)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 7.795880017 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"miconazole" 1800 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.380906669 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 4.561774192 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 6.580044252 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"miconazole" 1800 "Type-2 angiotensin II receptor" "GPCR" "P50052" "AGTR2" "AGTR2_HUMAN" 5.109076229 "Ki" "DRUGMATRIX: Angiotensin AT2 radioligand binding (ligand: [125I] CGP-42112A)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"miconazole" 1800 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.792365633 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"miconazole" 1800 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.325506283 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"miconazole" 1800 "Sodium/potassium-transporting ATPase subunit alpha-2" "Ion channel" "D2WKD8" "ATP1A2" "AT1A2_PIG" 4.714915497 "IC50" "DRUGMATRIX: ATPase, Na+/K+ enzyme inhibition (substrate: ATP)" "DRUG MATRIX" "=" "Sus scrofa" +"miconazole" 1800 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.028538595 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"miconazole" 1800 "Melanocortin receptor 4" "GPCR" "P32245" "MC4R" "MC4R_HUMAN" 4.92190585 "Ki" "DRUGMATRIX: Melanocortin MC4 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"miconazole" 1800 "Melanocortin receptor 5" "GPCR" "P33032" "MC5R" "MC5R_HUMAN" 4.673541243 "Ki" "DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"miconazole" 1800 "Melanocortin receptor 3" "GPCR" "P41968" "MC3R" "MC3R_HUMAN" 4.792311787 "Ki" "DRUGMATRIX: Melanocortin MC3 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"miconazole" 1800 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 5.691649051 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"miconazole" 1800 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 5.711080394 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"miconazole" 1800 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"miconazole" 1800 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 6.22 "IC50" "Inhibition of human placental microsome CYP19" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91" "Tclin" "Homo sapiens" +"miconazole" 1800 "Malate dehydrogenase cytoplasmic " "Enzyme" "P40925" "MDH1" "MDHC_HUMAN" 4.6 "IC50" "Inhibition of malate dehydrogenase (MDH)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91" "Tbio" "Homo sapiens" +"miconazole" 1800 "Indoleamine 2,3-dioxygenase 2" "Enzyme" "Q8R0V5" "Ido2" "I23O2_MOUSE" 5.17 "IC50" "Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91" "Mus musculus" +"miconazole" 1800 "Aromatase" "Enzyme" "P22443" "Cyp19a1" "CP19A_RAT" 6.4 "EC50" "In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91" "Rattus norvegicus" +"miconazole" 1800 "Beta-lactamase" "Enzyme" "P00811" "ampC" "AMPC_ECOLI" 4.4 "IC50" "Compound was tested for the inhibition of beta-lactamase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91" "Escherichia coli (strain K12)" +"miconazole" 1800 "Lanosterol 14-alpha demethylase" "Enzyme" "Q16850" "CYP51A1" "CP51A_HUMAN" 6.7 "IC50" "Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91" "Tchem" "Homo sapiens" +"miconazole" 1800 "Lanosterol 14-alpha demethylase" "Enzyme" "P9WPP9" "cyp51" "CP51_MYCTU" 6.7 "Kd" "Binding affinity to Mycobacterium tuberculosis CYP51" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"miconazole" 1800 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P28776" "Ido1" "I23O1_MOUSE" 4.75 "IC50" "Inhibition of mouse Ido1 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91" "Mus musculus" +"miconazole" 1800 "Steroid 17-alpha-hydroxylase/17,20 lyase" "Enzyme" "P05093" "CYP17A1" "CP17A_HUMAN" 6.61 "Ki" "In vitro inhibition of human Cytochrome P450 17A1 activity" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91" "Tclin" "Homo sapiens" +"miconazole" 1800 "Lanosterol 14-alpha demethylase" "Enzyme" "P10613" "ERG11" "CP51_CANAL" "Mechanism of Action; CHEMBL1780; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91" "INHIBITOR" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"miconazole" 1800 "Alkaline phosphatase, tissue-nonspecific isozyme" "Enzyme" "P05186" "ALPL" "PPBT_HUMAN" 4.15000009536743 "EC50" "PUBCHEM_BIOASSAY: uHTS identification of compounds activating TNAP in the absence of phosphate acceptor performed in luminescent assay. (Class of assay: confirmatory) [Related pubchem assays: 813, 518, 1548, 1450 ]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91" "Tchem" "Homo sapiens" +"miconazole" 1800 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P14902" "IDO1" "I23O1_HUMAN" 5.42000007629395 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91" "Tchem" "Homo sapiens" +"miconazole" 1800 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 4.94 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91" "Rattus norvegicus" +"midazolam" 1802 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6 "Km" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"midazolam" 1802 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 4.3526 "Km" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"midazolam" 1802 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 8.7447 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL655" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"midazolam" 1802 "GABA A receptor alpha-3/beta-2/gamma-2" "Ion channel" "P18507|P34903|P47870" "GABRA3|GABRB2|GABRG2" "GBRA3_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 8.4437 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL655" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"midazolam" 1802 "GABA A receptor alpha-3/beta-2/gamma-3" "Ion channel" "P34903|P47870|Q99928" "GABRA3|GABRB2|GABRG3" "GBRA3_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" 7.6126 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL655" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"midazolam" 1802 "GABA-A receptor alpha-1/beta-2/gamma-3" "Ion channel" "P14867|P47870|Q99928" "GABRA1|GABRB2|GABRG3" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" 7.7496 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL655" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"midazolam" 1802 "GABA A receptor alpha-5/beta-2/gamma-2" "Ion channel" "P18507|P31644|P47870" "GABRA5|GABRB2|GABRG2" "GBRA5_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 9.1249 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL655" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"midazolam" 1802 "GABA A receptor alpha-5/beta-2/gamma-3" "Ion channel" "P31644|P47870|Q99928" "GABRA5|GABRB2|GABRG3" "GBRA5_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" 8.2596 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL655" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"midazolam" 1802 "GABA-A receptor; anion channel" "Ion channel" "O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14" "Gabra1|Gabra2|Gabra3|Gabra4|Gabra5|Gabra6|Gabrb1|Gabrb2|Gabrb3|Gabrd|Gabre|Gabrg1|Gabrg2|Gabrg3|Gabrp|Gabrq" "GBRA1_RAT|GBRA2_RAT|GBRA3_RAT|GBRA4_RAT|GBRA5_RAT|GBRA6_RAT|GBRB1_RAT|GBRB2_RAT|GBRB3_RAT|GBRD_RAT|GBRE_RAT|GBRG1_RAT|GBRG2_RAT|GBRG3_RAT|GBRP_RAT|Q91ZM7_RAT" 8.7 "Ki" "Binding affinity to rat benzodiazepine receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL655" "Rattus norvegicus" +"midazolam" 1802 "Translocator protein" "Membrane receptor" "P16257" "Tspo" "TSPO_RAT" 8.7 "Ki" "Binding affinity against rat benzodiazepine (BZD) receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL655" "Rattus norvegicus" +"midazolam" 1802 "GABA A receptor alpha-5/beta-3/gamma-3" "Ion channel" "P28472|P31644|Q99928" "GABRA5|GABRB3|GABRG3" "GBRA5_HUMAN|GBRB3_HUMAN|GBRG3_HUMAN" 8.2596 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL655" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"midazolam" 1802 "GABA-A receptor alpha-5/beta-3/gamma-2" "Ion channel" "P18507|P28472|P31644" "GABRA5|GABRB3|GABRG2" "GBRA5_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 9.1249 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL655" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"midazolam" 1802 "Thyrotropin-releasing hormone receptor" "GPCR" "Q01717" "Trhr" "TRFR_RAT" 5.49 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3342" "ANTAGONIST" "Rattus norvegicus" +"midodrine" 1803 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255027" "AGONIST" "Tclin" "Homo sapiens" +"midodrine" 1803 "Heat shock protein HSP 90-alpha" "Cytosolic other" "P07900" "HSP90AA1" "HS90A_HUMAN" 7.699 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"mifepristone" 1805 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 8.74 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1276308" "ANTAGONIST" "Tclin" "Homo sapiens" +"mifepristone" 1805 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 9 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1276308" "ANTAGONIST" "Tclin" "Homo sapiens" +"mifepristone" 1805 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" 5 "EC50" "IUPHAR" "~" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2805" "AGONIST" "Tchem" "Homo sapiens" +"mifepristone" 1805 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 6.001304842 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mifepristone" 1805 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 4.956755646 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mifepristone" 1805 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 4.917861169 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mifepristone" 1805 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.094851998 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mifepristone" 1805 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 4.670459752 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mifepristone" 1805 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 4.080602845 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"mifepristone" 1805 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 8.254925208 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"mifepristone" 1805 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 6.255707017 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" +"mifepristone" 1805 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 9.373659633 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"mifepristone" 1805 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 8.33 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mifepristone" 1805 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 5.68 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mifepristone" 1805 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6.64 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mifepristone" 1805 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 5.3 "IC50" "Antagonist activity at estrogen receptor by Gal4-DNA binding domain-hormone receptor LBD one-hybrid assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1276308" "Tclin" "Homo sapiens" +"mifepristone" 1805 "Progesterone receptor" "Transcription factor" "Q63449" "Pgr" "PRGR_RAT" 8.46 "IC50" "Inhibition of [3H]R5020 binding to cytosolic progesterone receptor (PRc) of rat uterus" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1276308" "Rattus norvegicus" +"mifepristone" 1805 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 5.54 "Ki" "Displacement of [3H]E2 from human ERbeta after 16 hrs by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1276308" "Tclin" "Homo sapiens" +"mifepristone" 1805 "P-glycoprotein 3" "Unclassified" "P21447" "Abcb1a" "MDR1A_MOUSE" 4.7 "Kd" "Compound was tested for the binding affinity towards recombinant NBD2 C-terminal cytotoxic nucleotide-binding domain of mouse P-Glycoprotein" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1276308" "Mus musculus" +"mifepristone" 1805 "Glucocorticoid receptor" "Transcription factor" "P06536" "Nr3c1" "GCR_RAT" 8.85 "IC50" "Inhibition of [3H]dexamethasone binding to rat glucocorticoid receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1276308" "Rattus norvegicus" +"miglitol" 1806 "Maltase-glucoamylase, intestinal" "Enzyme" "O43451" "MGAM" "MGA_HUMAN" 6 "Ki" "Inhibition of human recombinant N-terminal subunit of maltase-glucoamylase after 60 mins by glucose oxidase assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1561" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1561" "INHIBITOR" "Tclin" "Homo sapiens" +"miglitol" 1806 "Glycogen debranching enzyme" "Enzyme" "P35574" "AGL" "GDE_RABIT" 6.41 "IC50" "Inhibition of rabbit muscle amylo-1,6-glucosidase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1561" "Oryctolagus cuniculus" +"miglitol" 1806 "Lactase-phlorizin hydrolase" "Enzyme" "P09848" "LCT" "LPH_HUMAN" 4.3 "IC50" "Inhibition of lactase by HPLC" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1561" "Tbio" "Homo sapiens" +"miglitol" 1806 "Lysosomal alpha-glucosidase" "Enzyme" "Q6P7A9" "Gaa" "LYAG_RAT" 6.34 "Ki" "Competitive inhibition of rat intestinal maltase by Lineweaver-Burk plot analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1561" "Rattus norvegicus" +"miglitol" 1806 "Sucrase-isomaltase, intestinal" "Enzyme" "P23739" "Si" "SUIS_RAT" 6.96 "IC50" "Inhibition of rat intestinal brush border membrane sucrase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1561" "Rattus norvegicus" +"miglitol" 1806 "Lysosomal alpha-glucosidase" "Enzyme" "P10253" "GAA" "LYAG_HUMAN" 6.46 "IC50" "Inhibition of human lysosomal alpha-glucosidase" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1561" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1561" "INHIBITOR" "Tclin" "Homo sapiens" +"miglitol" 1806 "Glucosylceramidase" "Enzyme" "P04062" "GBA" "GLCM_HUMAN" 4.08 "IC50" "Inhibition of human lysosomal beta-glucosidase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1561" "Tclin" "Homo sapiens" +"miglitol" 1806 "Sucrase-isomaltase, intestinal" "Enzyme" "P14410" "SI" "SUIS_HUMAN" 6.3 "IC50" "Inhibition of sucrase by HPLC" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1561" "Tchem" "Homo sapiens" +"miglitol" 1806 "Pancreatic alpha-amylase" "Enzyme" "P04746" "AMY2A" "AMYP_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"miglitol" 1806 "Beta-galactosidase" "Unclassified" "Q58D55" "GLB1" "BGAL_BOVIN" 4 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1561" "Bos taurus" +"miglustat" 1807 "Ceramide glucosyltransferase" "Enzyme" "Q16739" "UGCG" "CEGT_HUMAN" 5.13 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4841" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1029" "INHIBITOR" "Tclin" "Homo sapiens" +"miglustat" 1807 "Maltase-glucoamylase, intestinal" "Enzyme" "O43451" "MGAM" "MGA_HUMAN" 5.68 "IC50" "Inhibition of Glycosidases (maltase) in rat intestinal brush border membranes by D-glucose oxidase-peroxidase method maltase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1029" "Tclin" "Homo sapiens" +"miglustat" 1807 "Glycogen debranching enzyme" "Enzyme" "P35573" "AGL" "GDE_HUMAN" 5 "IC50" "Inhibition of glycogen glycogen de-branching enzyme by HPLC" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1029" "Tbio" "Homo sapiens" +"miglustat" 1807 "Lysosomal alpha-glucosidase" "Enzyme" "Q6P7A9" "Gaa" "LYAG_RAT" 5.68 "IC50" "Inhibition of rat intestinal maltase using moltose as substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1029" "Rattus norvegicus" +"miglustat" 1807 "Trehalase" "Unclassified" "O70282" "Treh" "O70282_RAT" 4.89 "IC50" "Inhibition of Glycosidases (trehalase)in rat intestinal brush border membranes by D-glucose oxidase-peroxidase method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1029" "Rattus norvegicus" +"miglustat" 1807 "Uncharacterized protein" "Unclassified" "I3LIR5" "TREH" "I3LIR5_PIG" 4.44 "IC50" "Inhibition of porcine kidney trehalase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1029" "Sus scrofa" +"miglustat" 1807 "Sucrase-isomaltase, intestinal" "Enzyme" "P23739" "Si" "SUIS_RAT" 6.24 "IC50" "Inhibition of Sucrase in rat intestinal brush border membranes by D-glucose oxidase-peroxidase method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1029" "Rattus norvegicus" +"miglustat" 1807 "Non-lysosomal glucosylceramidase" "Enzyme" "Q69ZF3" "Gba2" "GBA2_MOUSE" 6.85 "IC50" "Inhibition of conduritol beta-epoxide-sensitive mouse glucosylceramidase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1029" "Mus musculus" +"miglustat" 1807 "Putative alpha-glucosidase" "Enzyme" "Q9LGC6" "P0504H10.9" "Q9LGC6_ORYSJ" 6.38 "IC50" "Inhibitory activity against alpha-Glucosidase from rice" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1029" "Oryza sativa subsp. japonica" +"miglustat" 1807 "Lysosomal alpha-glucosidase" "Enzyme" "P10253" "GAA" "LYAG_HUMAN" 7 "IC50" "Inhibition of human lysosomal alpha glucosidase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1029" "Tclin" "Homo sapiens" +"miglustat" 1807 "Sucrase-isomaltase" "Enzyme" "B5THE3" "Sis" "B5THE3_MOUSE" 6.22 "IC50" "Inhibition of sucrase in mouse intestinal input by glucose release assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1029" "Mus musculus" +"miglustat" 1807 "Non-lysosomal glucosylceramidase" "Enzyme" "Q9HCG7" "GBA2" "GBA2_HUMAN" 6.64 "IC50" "Inhibition of human GBA2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1029" "Tchem" "Homo sapiens" +"miglustat" 1807 "Lysosomal alpha-glucosidase" "Enzyme" "P70699" "Gaa" "LYAG_MOUSE" 5.05 "IC50" "Inhibition of maltase in mouse intestinal input by glucose release assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1029" "Mus musculus" +"miglustat" 1807 "Ceramide glucosyltransferase" "Unclassified" "O88693" "Ugcg" "CEGT_MOUSE" 4.64 "IC50" "Inhibition mouse glucosylceramide synthase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1029" "Mus musculus" +"miglustat" 1807 "Sucrase-isomaltase, intestinal" "Enzyme" "P14410" "SI" "SUIS_HUMAN" 6.3 "IC50" "Inhibition of sucrase by HPLC" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1029" "Tchem" "Homo sapiens" +"milnacipran" 1808 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 4.43 "IC50" "Displacement of 3,4-[ring-2,5,6-3H]dihydroxyphenylethylamine from rat synaptosomal DAT expressed in HEK293 cells by microplate scintillation counter" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL259209" "Rattus norvegicus" +"milnacipran" 1808 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 7.33 "IC50" "Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from rat synaptosomal SERT expressed in HEK293 cells by microplate scintillation counter" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL259209" "Rattus norvegicus" +"milnacipran" 1808 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 7.52 "IC50" "Displacement of Levo[ring-2,5,6-3H]norepinephrine from rat synaptosomal NET expressed in HEK293 cells by microplate scintillation counter" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL259209" "Rattus norvegicus" +"milnacipran" 1808 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.21 "IC50" "Inhibition of human DAT" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL259209" "Tclin" "Homo sapiens" +"milnacipran" 1808 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.6 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL259209" "INHIBITOR" "Tclin" "Homo sapiens" +"milnacipran" 1808 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.29 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL259209" "INHIBITOR" "Tclin" "Homo sapiens" +"milnacipran" 1808 "Glutamate receptor ionotropic, NMDA 2A" "Ion channel" "Q12879" "GRIN2A" "NMDE1_HUMAN" 5.2 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"milrinone" 1809 "Phosphodiesterase 4" "Enzyme" "P27815|Q07343|Q08493|Q08499" "PDE4A|PDE4B|PDE4C|PDE4D" "PDE4A_HUMAN|PDE4B_HUMAN|PDE4C_HUMAN|PDE4D_HUMAN" 5.22 "IC50" "Inhibition of canine cardiac cAMP phosphodiesterase (cAMP-PDE)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL189" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"milrinone" 1809 "Cyclic nucleotide phosphodiesterase PDE3A" "Enzyme" "Q9XSW7" "Q9XSW7_PIG" 6.07 "IC50" "Inhibition of phosphodiesterase 3 (PDE3) from porcine platelets, range 0.581-1.23" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL189" "Sus scrofa" +"milrinone" 1809 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "O76074" "PDE5A" "PDE5A_HUMAN" 6.13 "IC50" "Inhibitory activity against cGMP-phosphodiesterase from porcine aorta" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL189" "Tclin" "Homo sapiens" +"milrinone" 1809 "cGMP-inhibited 3',5'-cyclic phosphodiesterase B" "Enzyme" "Q13370" "PDE3B" "PDE3B_HUMAN" 6.55 "IC50" "Inhibitory concentration required to inhibit human phosphodiesterase 3B expressed in Escherichia coli" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL189" "Tclin" "Homo sapiens" +"milrinone" 1809 "cGMP-inhibited 3',5'-cyclic phosphodiesterase A" "Enzyme" "Q14432" "PDE3A" "PDE3A_HUMAN" 6.36 "IC50" "Inhibitory concentration required to inhibit human phosphodiesterase 3A expressed in Escherichia coli" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL189" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL189" "INHIBITOR" "Tclin" "Homo sapiens" +"milrinone" 1809 "Cyclic AMP-specific phosphodiesterase SSPDE4A1A" "Enzyme" "O77823" "PDE4A" "O77823_PIG" 4.89 "IC50" "Inhibition of phosphodiesterase 4 (PDE4) from porcine liver, range 10.4-16.3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL189" "Sus scrofa" +"milrinone" 1809 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "Q28156" "PDE5A" "PDE5A_BOVIN" 5.3 "IC50" "Inhibition of bovine arterial Phosphodiesterase 5" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL189" "Bos taurus" +"milrinone" 1809 "Uncharacterized protein" "Enzyme" "E1BN64" "PDE3B" "E1BN64_BOVIN" 6 "IC50" "Inhibition of bovine arterial Phosphodiesterase 3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL189" "Bos taurus" +"milrinone" 1809 "cAMP-specific 3',5'-cyclic phosphodiesterase 4A" "Enzyme" "O89085" "PDE4A" "PDE4A_CAVPO" 5.33 "Ki" "Inhibition of Cavia porcellus (guinea pig) PDE3 isolated from heart using [3H]cAMP as substrate by two-step method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL189" "Cavia porcellus" +"milrinone" 1809 "Phosphodiesterase 3" "Enzyme" "Q13370|Q14432" "PDE3A|PDE3B" "PDE3A_HUMAN|PDE3B_HUMAN" 6.82 "Ki" "Inhibition of human phosphodiesterase 3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL189" "Tclin|Tclin" "Homo sapiens" +"miltefosine" 1810 "RAC-alpha serine/threonine-protein kinase" "Kinase" "P31749" "AKT1" "AKT1_HUMAN" 5.02 "IC50" "Inhibition of Akt phosphorylation in human insulin-stimulated A549 cells incubated for 2 hrs prior to insulin-induction measured after 30 mins by ELISA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL125" "Tchem" "Homo sapiens" +"miltefosine" 1810 "Dual specificity phosphatase Cdc25A" "Enzyme" "P30304" "CDC25A" "MPIP1_HUMAN" 4.6 "IC50" "Inhibition of Cell division cycle 25 (Cdc25) phosphatase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL125" "Tchem" "Homo sapiens" +"mimosine" 1811 "Ribonucleoside-diphosphate reductase large subunit" "Enzyme" "P08543" "RIR1_HHV11" 4.39 "IC50" "WOMBAT-PK" "=" "Human herpesvirus 1 (strain 17)" +"mimosine" 1811 "Tyrosinase" "Enzyme" "P14679" "TYR" "TYRO_HUMAN" 5.43 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mimosine" 1811 "Serine hydroxymethyltransferase, cytosolic" "Enzyme" "P34896" "SHMT1" "GLYC_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"mimosine" 1811 "Polyphenol oxidase 2" "Enzyme" "O42713" "PPO2" "PPO2_AGABI" 5.43 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL245416" "Agaricus bisporus" +"minaprine" 1812 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 4.07 "IC50" "Inhibition of AChE" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL278819" "Tclin" "Homo sapiens" +"minaprine" 1812 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 4.77 "IC50" "Displacement of [3H]pirenzepine from cerebral Muscarinic acetylcholine receptor M1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL278819" "Rattus norvegicus" +"minaprine" 1812 "Acetylcholinesterase" "Enzyme" "P37136" "Ache" "ACES_RAT" 4.07 "IC50" "In vitro inhibition of acetylcholinesterase in homogenized rat striatum." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL278819" "Rattus norvegicus" +"minaprine" 1812 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 4.77 "Ki" "Binding affinity towards muscarinic M1 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL278819" "Tclin" "Homo sapiens" +"minocycline" 1813 "30S ribosomal protein S9" "Unclassified" "Q9Z8T8" "rpsI" "RS9_CHLPN" 5.7559 "Ka" "WOMBAT-PK" "=" "Chlamydia pneumoniae" +"minocycline" 1813 "30S ribosomal protein S4" "Unclassified" "Q9Z7H2" "rpsD" "RS4_CHLPN" 6 "Ka" "WOMBAT-PK" "=" "Chlamydia pneumoniae" +"minocycline" 1813 "Tetracycline resistance protein, class B" "Transporter" "P02980" "tetA" "TCR2_ECOLX" 5.6383 "IC50" "WOMBAT-PK" "=" "Escherichia coli" +"minoxidil" 1814 "Sulfonylurea receptor 2, Kir6.2" "Ion channel" "O60706|Q14654" "ABCC9|KCNJ11" "ABCC9_HUMAN|KCJ11_HUMAN" "Mechanism of Action; CHEMBL2095198; PROTEIN COMPLEX" "CHEMBL" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL802" "http://www.ncbi.nlm.nih.gov/pubmed/18258787" "OPENER" "Tclin|Tclin" "Homo sapiens" +"minoxidil" 1814 "ATP-sensitive inward rectifier potassium channel 1" "Ion channel" "P48048" "KCNJ1" "KCNJ1_HUMAN" 6.97 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"mirtazapine" 1816 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.38017654418945 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"mirtazapine" 1816 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.24 "Ki" "Inhibition of [125I]iodosulpiride binding to human Dopamine receptor D3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL654" "Tclin" "Homo sapiens" +"mirtazapine" 1816 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 6.58 "Ki" "Inhibition of [3H]5-HT binding to human 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL654" "Tclin" "Homo sapiens" +"mirtazapine" 1816 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.65 "IC50" "Binding affinity at human Alpha-2B adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL654" "ANTAGONIST" "Tclin" "Homo sapiens" +"mirtazapine" 1816 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 5.38 "Ki" "Inhibition of [3H]SCH-23390 binding to rat Dopamine receptor D1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL654" "Rattus norvegicus" +"mirtazapine" 1816 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 5.84 "Ki" "The binding affinity at the Dopamine receptor D2 determined using [3H]spiperone" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL654" "Rattus norvegicus" +"mirtazapine" 1816 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.74 "Ki" "Inhibition of [3H]rauwolscine binding to Alpha-2C adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL654" "ANTAGONIST" "Tclin" "Homo sapiens" +"mirtazapine" 1816 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 5.54 "Ki" "Displacement of [3H]GR65630 from human 5-HT3A receptor expressed in HEK293 cells by liquid scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL654" "Tclin" "Homo sapiens" +"mirtazapine" 1816 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 5.79 "Ki" "Inhibition of [3H]nisoxetine binding to rat Norepinephrine transporter" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL654" "Rattus norvegicus" +"mirtazapine" 1816 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 8.26 "Ki" "The binding affinity at 5-hydroxytryptamine 2C receptor was determined using [3H]mesulergine" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL654" "Rattus norvegicus" +"mirtazapine" 1816 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.41 "Ki" "Inhibition of [3H]mesulergine binding to human 5-hydroxytryptamine 2C receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL654" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL654" "ANTAGONIST" "Tclin" "Homo sapiens" +"mirtazapine" 1816 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.16 "Ki" "Inhibition of [125I]R91150 binding to human 5-hydroxytryptamine 2A receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL654" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL654" "ANTAGONIST" "Tclin" "Homo sapiens" +"mirtazapine" 1816 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.3 "Kd" "Binding affinity to 5HT1A receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL654" "Tclin" "Homo sapiens" +"mirtazapine" 1816 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 6.22 "Ki" "Inhibition of [3H]prazosin binding to rat Alpha-1 adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL654" "Rattus norvegicus" +"mirtazapine" 1816 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.7 "Ki" "Inhibition of [3H]rauwolscine binding to Alpha-2A adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL654" "ANTAGONIST" "Tclin" "Homo sapiens" +"mirtazapine" 1816 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 8.7 "Ki" "The binding affinity at 5-hydroxytryptamine 2A receptor was determined using [3H]ketanserin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL654" "Rattus norvegicus" +"mirtazapine" 1816 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 5.5 "IC50" "Binding affinity at human Alpha-1A adrenergic receptor in CHO cells uby [3H]prazosin (0.25 nM) displacement." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL654" "Tclin" "Homo sapiens" +"mirtazapine" 1816 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"mirtazapine" 1816 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"mirtazapine" 1816 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.7959 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mirtazapine" 1816 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.337242168 "Ki" "PDSP" "Tclin" "Homo sapiens" +"mirtazapine" 1816 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.263284866 "Ki" "PDSP" "Tclin" "Homo sapiens" +"misoprostol" 1817 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P43115" "PTGER3" "PE2R3_HUMAN" 8.1 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL606" "AGONIST" "Tclin" "Homo sapiens" +"misoprostol" 1817 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P35408" "PTGER4" "PE2R4_HUMAN" 7.6 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" +"misoprostol" 1817 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "P43116" "PTGER2" "PE2R2_HUMAN" 7.5 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" +"misoprostol" 1817 "Prostaglandin F2-alpha receptor" "GPCR" "P43088" "PTGFR" "PF2R_HUMAN" 5.027704571 "Ki" "PDSP" "Tclin" "Homo sapiens" +"mitiglinide" 1818 "Sulfonylurea receptor 1, Kir6.2" "Ion channel" "Q09428|Q14654" "ABCC8|KCNJ11" "ABCC8_HUMAN|KCJ11_HUMAN" 7 "IC50" "inside-out patches in COS-1 cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/11716850" "http://www.ncbi.nlm.nih.gov/pubmed/11716850" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"mitomycin" 1819 "DNA" "DNA" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/022572s003lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/022572s003lbl.pdf" "OTHER" +"mitomycin" 1819 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P14902" "IDO1" "I23O1_HUMAN" 4.6 "Ki" "Uncompetitive inhibition of hexahistidyl-tagged human IDO1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL105" "Tchem" "Homo sapiens" +"mitotane" 1820 "Cytochrome P450 11B1, mitochondrial" "Enzyme" "P15538" "CYP11B1" "C11B1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1670" "INHIBITOR" "Tclin" "Homo sapiens" +"mitotane" 1820 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.559878397 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mitotane" 1820 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.795608668 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mitotane" 1820 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.090443971 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mitotane" 1820 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.51215488 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mitotane" 1820 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.186419011 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"mitotane" 1820 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.099632871 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mitotane" 1820 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.375924269 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"mitotane" 1820 "Cholesterol side-chain cleavage enzyme, mitochondrial" "Enzyme" "P05108" "CYP11A1" "CP11A_HUMAN" "Mechanism of Action; CHEMBL2033; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1670" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1670" "INHIBITOR" "Tclin" "Homo sapiens" +"mitotane" 1820 "Adrenodoxin, mitochondrial" "Unclassified" "P10109" "FDX1" "ADX_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"mitoxantrone" 1821 "DNA topoisomerase 2-alpha" "Enzyme" "P11388" "TOP2A" "TOP2A_HUMAN" 5.9586 "IC90" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL58" "INHIBITOR" "Tclin" "Homo sapiens" +"mitoxantrone" 1821 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.532096053 "Ki" "DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mitoxantrone" 1821 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.305526425 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mitoxantrone" 1821 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.729158188 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mitoxantrone" 1821 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.744004273 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mitoxantrone" 1821 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.108462542 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mitoxantrone" 1821 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.046723663 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mitoxantrone" 1821 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.268741714 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mitoxantrone" 1821 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.900353883 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mitoxantrone" 1821 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.691392906 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mitoxantrone" 1821 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.748288795 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" +"mitoxantrone" 1821 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" 5.1549 "Kact" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"mitoxantrone" 1821 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" 6.2869 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"mitoxantrone" 1821 "Canalicular multispecific organic anion transporter 1" "Transporter" "Q92887" "ABCC2" "MRP2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"mitoxantrone" 1821 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.841 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"mitoxantrone" 1821 "Solute carrier family 22 member 3" "Transporter" "O75751" "SLC22A3" "S22A3_HUMAN" 4.22 "IC50" "Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL58" "Tchem" "Homo sapiens" +"mitoxantrone" 1821 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.36 "IC50" "Inhibition of human OCT1-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL58" "Tchem" "Homo sapiens" +"mitoxantrone" 1821 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.13 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL58" "Tchem" "Homo sapiens" +"mitoxantrone" 1821 "Tyrosine-protein kinase BTK" "Kinase" "Q06187" "BTK" "BTK_HUMAN" 6 "IC50" "Inhibition of BTK (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL58" "Tclin" "Homo sapiens" +"mitoxantrone" 1821 "Serine/threonine-protein kinase pim-1" "Kinase" "P11309" "PIM1" "PIM1_HUMAN" 7.29 "IC50" "Inhibition of recombinant PIM1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 1 hr by HTRF assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL58" "Tchem" "Homo sapiens" +"mitoxantrone" 1821 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 6.28 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells up to 500 uM after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL58" "Tchem" "Homo sapiens" +"mitoxantrone" 1821 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 6.72 "IC50" "Inhibition of human MATE1-mediated [14]-metformin uptake expressed in polarized MDCK2 cells after 5 mins by liquid scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL58" "Tchem" "Homo sapiens" +"mitoxantrone" 1821 "Integrase" "Enzyme" "Q7ZJM1" "pol" "Q7ZJM1_9HIV1" 5.42 "IC50" "Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessing" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL58" "Human immunodeficiency virus 1" +"mitoxantrone" 1821 "DNA-3-methyladenine glycosylase" "Enzyme" "P29372" "MPG" "3MG_HUMAN" 5.59999990463257 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL58" "Tchem" "Homo sapiens" +"mitoxantrone" 1821 "Dual specificity tyrosine-phosphorylation-regulated kinase 1A" "Unclassified" "Q63470" "Dyrk1a" "DYR1A_RAT" 5.02 "AC50" "active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL58" "Rattus norvegicus" +"mivacurium" 1822 "Acetylcholine receptor" "Ion channel" "P02708|P11230|Q07001" "CHRNA1|CHRNB1|CHRND" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL984" "ANTAGONIST" "Tclin|Tclin|Tclin" "Homo sapiens" +"mivacurium" 1822 "Neuronal acetylcholine receptor subunit alpha-2" "Ion channel" "Q15822" "CHRNA2" "ACHA2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"mizolastine" 1824 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"mizolastine" 1824 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.84 "Ki" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/1354949" "ANTAGONIST" "Tclin" "Homo sapiens" +"mizolastine" 1824 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.4559 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"moclobemide" 1825 "Amine oxidase [flavin-containing] A" "Enzyme" "P21396" "Maoa" "AOFA_RAT" 8.3 "Ki" "Inhibition of MAO-A in rat liver homogenate by spectrophotometry-based Holt method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL86304" "Rattus norvegicus" +"moclobemide" 1825 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 8.3 "Ki" "Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins" "CHEMBL" "=" 1 "IUPHAR" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL86304" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7428" "INHIBITOR" "Tclin" "Homo sapiens" +"moclobemide" 1825 "Amine oxidase [flavin-containing] A" "Enzyme" "P21398" "MAOA" "AOFA_BOVIN" 4.94 "Ki" "Inhibitory activity against monoamine oxidase A in isolated bovine brain mitochondria" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL86304" "Bos taurus" +"moclobemide" 1825 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.1 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL86304" "Tclin" "Homo sapiens" +"moclobemide" 1825 "Amine oxidase [flavin-containing] B" "Enzyme" "P19643" "Maob" "AOFB_RAT" 5.97 "Ki" "Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL86304" "Rattus norvegicus" +"moclobemide" 1825 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 5.97 "Ki" "Inhibition of human MAO-B expressed in BTI insect cells using p-tyramine as substrate after 60 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL86304" "Tclin" "Homo sapiens" +"moclobemide" 1825 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.3 "Kd" "Binding affinity to 5HT1A receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL86304" "Tclin" "Homo sapiens" +"modafinil" 1826 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.836838625 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1373" "INHIBITOR" "Tclin" "Homo sapiens" +"modafinil" 1826 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 5.6 "Ki" "Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1373" "Rattus norvegicus" +"modafinil" 1826 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 4.19 "IC50" "Inhibition of rat NET-mediated norepinephrine reuptake" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1373" "Rattus norvegicus" +"modafinil" 1826 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"modafinil" 1826 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 4.3958 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"modafinil" 1826 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"modafinil" 1826 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.6198 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"moexipril" 1827 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 8.59 "IC50" "Inhibitory activity against angiotensin I converting enzyme (ACE)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1165" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1165" "INHIBITOR" "Tclin" "Homo sapiens" +"mofezolac" 1829 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 8.85 "IC50" "Inhibition of COX1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL259972" "Tclin" "Homo sapiens" +"mofezolac" 1829 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.36 "IC50" "Inhibition of COX2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL259972" "Tclin" "Homo sapiens" +"mofezolac" 1829 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 8.85 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL259972" "Ovis aries" +"mofezolac" 1829 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 6.36 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL259972" "Ovis aries" +"molindone" 1830 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 5.58302688598633 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"molindone" 1830 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.99653959274292 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"molindone" 1830 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.42021656036377 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"molindone" 1830 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"molindone" 1830 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.619788646698 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"molindone" 1830 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"molindone" 1830 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.76295900344849 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"molindone" 1830 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.25352144241333 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"molindone" 1830 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.95979356765747 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"molindone" 1830 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.42055940628052 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"molindone" 1830 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.5 "Ki" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=207" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=207" "ANTAGONIST" "Tclin" "Homo sapiens" +"molindone" 1830 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=207" "ANTAGONIST" "Tclin" "Homo sapiens" +"molindone" 1830 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 6.58 "Ki" "Binding affinity towards human 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL460" "Tclin" "Homo sapiens" +"molindone" 1830 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.1568 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL460" "ANTAGONIST" "Tclin" "Homo sapiens" +"molindone" 1830 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.9066 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"molindone" 1830 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 5.85 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL460" "Rattus norvegicus" +"molindone" 1830 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 5.8 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL460" "Rattus norvegicus" +"molindone" 1830 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 7.48 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL460" "Rattus norvegicus" +"mometasone furoate" 1832 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00764" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1161" "AGONIST" "Tclin" "Homo sapiens" +"mometasone furoate" 1832 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 9.9 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mometasone furoate" 1832 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 6.13 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"monobenzone" 1834 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 5.428757149 "IC50" "DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"monobenzone" 1834 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.991825816 "IC50" "DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"monobenzone" 1834 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.41408829 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"monobenzone" 1834 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.310513552 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" +"monobenzone" 1834 "Tyrosinase" "Enzyme" "P14679" "TYR" "TYRO_HUMAN" "Mechanism of Action; CHEMBL1973; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1388" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1388" "INHIBITOR" "Tclin" "Homo sapiens" +"montelukast" 1836 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.620150821 "Ki" "DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"montelukast" 1836 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.832682665 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"montelukast" 1836 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.573976984 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"montelukast" 1836 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.400007822 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"montelukast" 1836 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.579879152 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"montelukast" 1836 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.712646227 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"montelukast" 1836 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.852632892 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"montelukast" 1836 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.494850022 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"montelukast" 1836 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.115204636 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"montelukast" 1836 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.684659523 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"montelukast" 1836 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 6.610833916 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"montelukast" 1836 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.772113295 "Ki" "DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"montelukast" 1836 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.495257364 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"montelukast" 1836 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.327717375 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"montelukast" 1836 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.816730156 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"montelukast" 1836 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 6.067526235 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"montelukast" 1836 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.894830572 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"montelukast" 1836 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" 4.3279 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"montelukast" 1836 "Cytochrome P450 2C8" "Enzyme" "P10632" "CYP2C8" "CP2C8_HUMAN" 5.958 "Ki" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"montelukast" 1836 "Cysteinyl leukotriene receptor 2" "GPCR" "Q9NS75" "CYSLTR2" "CLTR2_HUMAN" 5.301029996 "Ki" "PDSP" "Tchem" "Homo sapiens" +"montelukast" 1836 "Cysteinyl leukotriene receptor 1" "GPCR" "Q2NNR5" "CYSLTR1" "CLTR1_CAVPO" 9.3 "Ki" "Binding affinity towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured by the displacement of [3H]LTD4 radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL787" "Cavia porcellus" +"montelukast" 1836 "Uracil nucleotide/cysteinyl leukotriene receptor" "GPCR" "Q13304" "GPR17" "GPR17_HUMAN" 5.18 "Ki" "Displacement of [3H]PSB-12150 from human GPR17 expressed in CHO-K1 cell membranes after 60 mins by heterologous competition binding assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL787" "Tchem" "Homo sapiens" +"montelukast" 1836 "Cysteinyl leukotriene receptor 1" "GPCR" "Q9Y271" "CYSLTR1" "CLTR1_HUMAN" 9.3 "Ki" "GRAC: human CysLT1 selective antagonist" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL787" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL787" "ANTAGONIST" "Tclin" "Homo sapiens" +"montelukast" 1836 "Uracil nucleotide/cysteinyl leukotriene receptor" "Unclassified" "Q6NS65" "Gpr17" "GPR17_MOUSE" 7.21 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3340" "ANTAGONIST" "Mus musculus" +"moperone" 1837 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.5 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"moperone" 1837 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.13380336761475 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"moperone" 1837 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"moracizine" 1842 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1075" "BLOCKER" "Tclin" "Homo sapiens" +"morphine" 1845 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd2|Drd3|Drd4|Drd5" "DRD1_RAT|DRD2_RAT|DRD3_RAT|DRD4_RAT|DRD5_RAT" 8.27 "IC50" "Concentration inhibiting the specific binding of [3H]naloxone by 50% in the absence of NaCl" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL70" "Rattus norvegicus" +"morphine" 1845 "Kappa-type opioid receptor" "GPCR" "P41144" "OPRK1" "OPRK_CAVPO" 7.62 "Ki" "Binding affinity towards guinea pig Opioid receptor kappa 1 using radioligand [3H]U-69593" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL70" "Cavia porcellus" +"morphine" 1845 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.55 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL70" "Tchem" "Homo sapiens" +"morphine" 1845 "Delta-type opioid receptor" "GPCR" "P32300" "Oprd1" "OPRD_MOUSE" 7 "Ki" "Displacement of [3H]DPDPE from delta opioid receptor in CD1 mouse brain membranes after 1 hr by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL70" "Mus musculus" +"morphine" 1845 "Mu-type opioid receptor" "GPCR" "P42866" "Oprm1" "OPRM_MOUSE" 8.92 "Ki" "Displacement of [3H]DAMGO from mu opioid receptor in CD1 mouse brain membranes after 1 hr by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL70" "Mus musculus" +"morphine" 1845 "Kappa-type opioid receptor" "GPCR" "P34975" "Oprk1" "OPRK_RAT" 7.57 "Ki" "Inhibition of 9 (2 nM) binding to Opioid receptor kappa 1 of rat brain homogenate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL70" "Rattus norvegicus" +"morphine" 1845 "Delta-type opioid receptor" "GPCR" "P33533" "Oprd1" "OPRD_RAT" 8.74 "Ki" "Displacement of [3H]DPDPE from delta opioid receptor in rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL70" "Rattus norvegicus" +"morphine" 1845 "Mu-type opioid receptor" "GPCR" "P79350" "OPRM1" "OPRM_BOVIN" 9.3 "Ki" "Binding affinity towards opioid receptor mu 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL70" "Bos taurus" +"morphine" 1845 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 9.11 "Ki" "mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL70" "Rattus norvegicus" +"morphine" 1845 "Kappa-type opioid receptor" "GPCR" "P33534" "Oprk1" "OPRK_MOUSE" 6.52 "Ki" "Evaluated for the binding affinity at kappa receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL70" "Mus musculus" +"morphine" 1845 "Nociceptin receptor" "GPCR" "P47748" "OPRL1" "OPRX_CAVPO" 7.86 "Ki" "Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL70" "Cavia porcellus" +"morphine" 1845 "Mu-type opioid receptor" "GPCR" "P97266" "OPRM1" "OPRM_CAVPO" 9.06 "Ki" "Binding affinity towards Opioid receptor mu 1 of guinea pig brain membranes using radioligand 0.25 nM [3H]DAMGO" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL70" "Cavia porcellus" +"morphine" 1845 "Opioid receptor" "GPCR" "O55242|P32300|P33534|P42866" "Oprd1|Oprk1|Oprm1|Sigmar1" "OPRD_MOUSE|OPRK_MOUSE|OPRM_MOUSE|SGMR1_MOUSE" 7.57 "IC50" "Concentration required to inhibit [3H]naltrexone binding to Opioid receptors" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL70" "Mus musculus" +"morphine" 1845 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprk1|Oprm1|Sigmar1" "OPRD_RAT|OPRK_RAT|OPRM_RAT|SGMR1_RAT" 8.22 "Ki" "Inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the absence of Na" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL70" "Rattus norvegicus" +"morphine" 1845 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 7.86 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL70" "AGONIST" "Tclin" "Homo sapiens" +"morphine" 1845 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 6.62 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"morphine" 1845 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 6.97 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"morphine" 1845 "Mu opioid receptor-like OR2" "Unclassified" "Q98UH1" "oprm1" "Q98UH1_DANRE" 6.73 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL70" "Danio rerio" +"mosapride" 1848 "5-hydroxytryptamine receptor 4" "GPCR" "Q13639" "HTR4" "5HT4R_HUMAN" 6.9 "Ki" "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=242" "http://www.ncbi.nlm.nih.gov/pubmed/8950316" "AGONIST" "Tclin" "Homo sapiens" +"mosapride" 1848 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.860183859 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mosapride" 1848 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.891434976 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mosapride" 1848 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6.15490196 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mosapride" 1848 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.69359642 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mosapride" 1848 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.72514968 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mosapride" 1848 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.682563503 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mosapride" 1848 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.059981845 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"mosapride" 1848 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"mosapride" 1848 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 6.397940009 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"mosapride" 1848 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"mosapride" 1848 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 5.7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"mosapride" 1848 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 7.16 "Ki" "Inhibition of [3H]GR-113808 binding to guinea pig striatum 5-hydroxytryptamine 4 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL60889" "Cavia porcellus" +"mosapride" 1848 "Serotonin 3 (5-HT3) receptor" "Ion channel" "P35563|Q9JJ16" "Htr3a|Htr3b" "5HT3A_RAT|5HT3B_RAT" 5.92 "Ki" "Inhibition of [3H]GR-65630 binding to rat cortical membrane serotonin 5-hydroxytryptamine 3 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL60889" "Rattus norvegicus" +"mosapride" 1848 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.32 "IC50" "Inhibition of human ERG expressed in HEK293 cells by whole cell patch clamp method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL60889" "Tclin" "Homo sapiens" +"latamoxef" 1851 "Penicillin-binding protein 1B" "Enzyme" "P02919" "mrcB" "PBPB_ECOLI" 4.6372 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL74632" "INHIBITOR" "Escherichia coli (strain K12)" +"latamoxef" 1851 "Penicillin-binding protein 1A" "Enzyme" "P02918" "mrcA" "PBPA_ECOLI" 6.7164 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL74632" "INHIBITOR" "Escherichia coli (strain K12)" +"latamoxef" 1851 "Peptidoglycan synthase FtsI" "Enzyme" "P0AD68" "ftsI" "FTSI_ECOLI" 5.9383 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL74632" "INHIBITOR" "Escherichia coli (strain K12)" +"moxastine" 1852 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/13757612" "ANTAGONIST" "Tclin" "Homo sapiens" +"moxifloxacin" 1854 "DNA topoisomerase 4 subunit A" "Enzyme" "P0C1U9" "parC" "PARC_STAAU" 6.1 "IC50" "Inhibitory activity against Staphylococcus aureus ATCC 29213 wild type Topo 4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL32" "Staphylococcus aureus" +"moxifloxacin" 1854 "DNA gyrase subunit A" "Enzyme" "P9WG47" "gyrA" "GYRA_MYCTU" 5.04 "IC50" "Inhibition of DNA supercoiling activity of wild type Mycobacterium tuberculosis DNA gyrase A" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL32" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"moxifloxacin" 1854 "DNA gyrase" "Enzyme" "P0AES4|P0AES6" "gyrA|gyrB" "GYRA_ECOLI|GYRB_ECOLI" 6.52 "IC50" "Inhibitory activity against wild type Escherichia coli gyrase" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL32" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL32" "INHIBITOR" "Escherichia coli (strain K12)" +"moxifloxacin" 1854 "Topoisomerase IV" "Enzyme" "P0AFI2|P20083" "parC|parE" "PARC_ECOLI|PARE_ECOLI" "Mechanism of Action; CHEMBL2363076; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL32" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL32" "INHIBITOR" "Escherichia coli (strain K12)" +"moxonidine" 1856 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.396639076 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"moxonidine" 1856 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 5.7 "Ki" "Binding affinity for human Alpha-2C adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19236" "Tclin" "Homo sapiens" +"moxonidine" 1856 "Nischarin" "Membrane receptor" "Q9Y2I1" "NISCH" "NISCH_HUMAN" 8.38 "Ki" "Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19236" "http://www.ncbi.nlm.nih.gov/pubmed/8872297" "AGONIST" "Tclin" "Homo sapiens" +"moxonidine" 1856 "Alpha-2B adrenergic receptor" "GPCR" "P19328" "Adra2b" "ADA2B_RAT" 6 "Ki" "Binding affinity for rat Alpha-2B adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19236" "Rattus norvegicus" +"moxonidine" 1856 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.82 "Ki" "Binding affinity for human Alpha-2A adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19236" "Tclin" "Homo sapiens" +"moxonidine" 1856 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.15 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19236" "Rattus norvegicus" +"moxonidine" 1856 "Nischarin" "Unclassified" "Q4G017" "Nisch" "NISCH_RAT" 7.11 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19236" "Rattus norvegicus" +"mupirocin" 1857 "Isoleucine--tRNA ligase" "Enzyme" "P00956" "ileS" "SYI_ECOLI" "WOMBAT-PK" "Escherichia coli (strain K12)" +"mupirocin" 1857 "Isoleucine--tRNA ligase" "Enzyme" "P41972" "ileS" "SYI1_STAAU" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00410" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL719" "INHIBITOR" "Staphylococcus aureus" +"mupirocin" 1857 "Isoleucine--tRNA ligase, cytoplasmic" "Enzyme" "P41252" "IARS" "SYIC_HUMAN" 9.1 "IC50" "Compound was evaluated for inhibitory activity against Isoleucyl-tRNA synthetase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL719" "Tchem" "Homo sapiens" +"mupirocin" 1857 "Isoleucine--tRNA ligase" "Enzyme" "Q99YW3" "ileS" "SYI_STRP1" "Mechanism of Action; CHEMBL2364671; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL719" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL719" "INHIBITOR" "Streptococcus pyogenes serotype M1" +"mycophenolate mofetil" 1859 "Inosine-5'-monophosphate dehydrogenase 2" "Enzyme" "P12268" "IMPDH2" "IMDH2_HUMAN" 8.1549015045166 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/10878285" "http://www.ncbi.nlm.nih.gov/pubmed/10878285" "INHIBITOR" "Tclin" "Homo sapiens" +"mycophenolate mofetil" 1859 "Inosine-5'-monophosphate dehydrogenase 1" "Enzyme" "P20839" "IMPDH1" "IMDH1_HUMAN" 7.48148584365845 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/10878285" "http://www.ncbi.nlm.nih.gov/pubmed/10878285" "INHIBITOR" "Tclin" "Homo sapiens" +"mycophenolic acid" 1860 "Inosine-5'-monophosphate dehydrogenase 2" "Enzyme" "P12268" "IMPDH2" "IMDH2_HUMAN" 8.22 "Ki" "Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 2 (IMPDH type II isoform); Range is 6-10 nM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL866" "Tclin" "Homo sapiens" +"mycophenolic acid" 1860 "Inosine-5'-monophosphate dehydrogenase 1" "Enzyme" "P20839" "IMPDH1" "IMDH1_HUMAN" 7.48 "Ki" "Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 1 (IMPDH type I isoform); Range is 33-37 nM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL866" "Tclin" "Homo sapiens" +"mycophenolic acid" 1860 "Inosine-5'-monophosphate dehydrogenase (IMPDH)" "Enzyme" "P12268|P20839" "IMPDH1|IMPDH2" "IMDH1_HUMAN|IMDH2_HUMAN" 4.7 "IC50" "Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL866" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL866" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"nabilone" 1862 "Cannabinoid receptor 2" "GPCR" "P34972" "CNR2" "CNR2_HUMAN" 8.2 "Ki" "Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL947" "Tchem" "Homo sapiens" +"nabilone" 1862 "Cannabinoid receptor 1" "GPCR" "P21554" "CNR1" "CNR1_HUMAN" 8.4 "Ki" "Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cells by liquid scintillation counting" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL947" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL947" "AGONIST" "Tclin" "Homo sapiens" +"nabilone" 1862 "Cannabinoid receptor 1" "GPCR" "P20272" "Cnr1" "CNR1_RAT" 8.66 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL947" "Rattus norvegicus" +"nabilone" 1862 "Cannabinoid receptor 2" "GPCR" "P47936" "Cnr2" "CNR2_MOUSE" 8.74 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL947" "Mus musculus" +"nabumetone" 1863 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.732124581 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"nabumetone" 1863 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 5.301029996 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"nabumetone" 1863 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 6.000869459 "IC50" "DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"nabumetone" 1863 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" "Mechanism of Action; CHEMBL230; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1070" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1070" "INHIBITOR" "Tclin" "Homo sapiens" +"nabumetone" 1863 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 3.34 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nadolol" 1865 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 8.6 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=554" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL649" "ANTAGONIST" "Tclin" "Homo sapiens" +"nadolol" 1865 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.9 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=554" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL649" "ANTAGONIST" "Tclin" "Homo sapiens" +"nadolol" 1865 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 6.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=554" "ANTAGONIST" "Tclin" "Homo sapiens" +"nafamostat" 1867 "Serine protease hepsin" "Enzyme" "P05981" "HPN" "HEPS_HUMAN" 9.27999973297119 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL273264" "Tchem" "Homo sapiens" +"nafamostat" 1867 "Hepatocyte growth factor activator" "Enzyme" "Q04756" "HGFAC" "HGFA_HUMAN" 7.59999990463257 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL273264" "Tchem" "Homo sapiens" +"nafamostat" 1867 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 6.54 "IC50" "Compound was evaluated for inhibitory activity against Thrombin." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL273264" "Tclin" "Homo sapiens" +"nafamostat" 1867 "Plasminogen" "Enzyme" "P00747" "PLG" "PLMN_HUMAN" 6.62 "IC50" "Compound was evaluated for inhibitory activity against plasmin." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL273264" "Tclin" "Homo sapiens" +"nafamostat" 1867 "Cationic trypsin" "Enzyme" "P00760" "TRY1_BOVIN" 7.77 "IC50" "The compound was evaluated to inhibit trypsin and is expressed in IC50 (The concentration required to inhibit 50% of the enzyme)." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL273264" "Bos taurus" +"nafamostat" 1867 "Trypsin-1" "Enzyme" "P07477" "PRSS1" "TRY1_HUMAN" 7.77 "IC50" "In vitro for inhibition of purified bovine trypsin." "CHEMBL" "=" 1 "IUPHAR" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL273264" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4262" "INHIBITOR" "Tclin" "Homo sapiens" +"nafamostat" 1867 "Complement C1r subcomponent" "Enzyme" "P00736" "C1R" "C1R_HUMAN" 6 "IC50" "Inhibition of C1r serine protease" "CHEMBL" "=" 1 "IUPHAR" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL273264" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4262" "INHIBITOR" "Tclin" "Homo sapiens" +"nafamostat" 1867 "Complement C1s subcomponent" "Enzyme" "P09871" "C1S" "C1S_HUMAN" 6.85 "IC50" "Compound was evaluated for inhibitory activity against C1s serine protease. " "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL273264" "Tchem" "Homo sapiens" +"nafamostat" 1867 "Kallikrein-1" "Enzyme" "P06870" "KLK1" "KLK1_HUMAN" 6.19 "IC50" "Compound was evaluated for inhibitory activity against Kallikrein." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL273264" "Tchem" "Homo sapiens" +"nafamostat" 1867 "Coagulation factor X" "Enzyme" "P00742" "F10" "FA10_HUMAN" 4.68 "IC50" "Inhibitory concentration against Coagulation factor X" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL273264" "Tclin" "Homo sapiens" +"nafamostat" 1867 "Acid-sensing ion channel 2" "Ion channel" "Q16515" "ASIC2" "ASIC2_HUMAN" 4.2 "IC50" "IUPHAR" "~" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4262" "BLOCKER" "Tbio" "Homo sapiens" +"nafamostat" 1867 "Acid-sensing ion channel 1" "Ion channel" "P78348" "ASIC1" "ASIC1_HUMAN" 4.9 "IC50" "IUPHAR" "~" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4262" "BLOCKER" "Tchem" "Homo sapiens" +"nafamostat" 1867 "Acid-sensing ion channel 3" "Ion channel" "Q9UHC3" "ASIC3" "ASIC3_HUMAN" 5.6 "IC50" "IUPHAR" "~" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4262" "BLOCKER" "Tchem" "Homo sapiens" +"nafamostat" 1867 "Tryptase alpha/beta-1" "Enzyme" "Q15661" "TPSAB1" "TRYB1_HUMAN" 10 "IC50" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4262" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4262" "INHIBITOR" "Tclin" "Homo sapiens" +"nafamostat" 1867 "Suppressor of tumorigenicity 14 protein" "Enzyme" "Q9Y5Y6" "ST14" "ST14_HUMAN" 10.6999998092651 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL273264" "Tchem" "Homo sapiens" +"nafarelin" 1868 "Gonadotropin-releasing hormone receptor" "GPCR" "P30968" "GNRHR" "GNRHR_HUMAN" 9.699 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200671" "AGONIST" "Tclin" "Homo sapiens" +"nafcillin" 1869 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" +"nafcillin" 1869 "Penicillin-binding protein" "Enzyme" "P72355|Q53707|Q53725|Q53729|Q9XDB3" "PBP2|mecA|pbp4|pbpA|pbpF" "P72355_STAAU|Q53707_STAAU|Q53725_STAAU|Q53729_STAAU|Q9XDB3_STAAU" "Mechanism of Action; CHEMBL2362972; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1443" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1443" "INHIBITOR" "Staphylococcus aureus" +"naftidrofuryl" 1870 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.82 "Ki" "Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells by liquid scintillation spectrophotometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1439099" "Tclin" "Homo sapiens" +"naftifine" 1872 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.06 "Ki" "Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL626" "Tclin" "Homo sapiens" +"naftifine" 1872 "C-8 sterol isomerase" "Enzyme" "P32352" "ERG2" "ERG2_YEAST" 6.51 "Ki" "Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL626" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"naftifine" 1872 "3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase" "Enzyme" "Q15125" "EBP" "EBP_HUMAN" 5.82 "Ki" "Affinity for human EMP expressed in ERG2 deficient strain of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL626" "Tchem" "Homo sapiens" +"naftifine" 1872 "Squalene epoxidase" "Enzyme" "Q4JEY0" "Q4JEY0_TRIRU" "Mechanism of Action; CHEMBL2364679; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL626" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL626" "INHIBITOR" "Trichophyton rubrum" +"naftifine" 1872 "Squalene monooxygenase" "Enzyme" "Q14534" "SQLE" "ERG1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"naftopidil" 1873 "Beta-2 adrenergic receptor" "GPCR" "P54833" "ADRB2" "ADRB2_CANFA" 6 "Ki" "Beta-2 adrenergic receptor binding affinity by measuring the displacement of [3H]DHA binding in rat lung" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL142635" "Canis familiaris" +"naftopidil" 1873 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 7.41 "Ki" "Alpha-1 adrenergic receptor binding affinity by measuring the displacement of [3H]prazosin binding in rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL142635" "Rattus norvegicus" +"naftopidil" 1873 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 5.8 "Ki" "Alpha-2 adrenergic receptor binding affinity by measuring the displacement of [3H]clonidine binding in rat cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL142635" "Rattus norvegicus" +"naftopidil" 1873 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.92081832885742 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/10976457" "http://www.ncbi.nlm.nih.gov/pubmed/10976457" "ANTAGONIST" "Tclin" "Homo sapiens" +"naftopidil" 1873 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.43179798126221 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/10976457" "http://www.ncbi.nlm.nih.gov/pubmed/10976457" "ANTAGONIST" "Tclin" "Homo sapiens" +"naftopidil" 1873 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.69896984100342 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/10976457" "http://www.ncbi.nlm.nih.gov/pubmed/10976457" "ANTAGONIST" "Tclin" "Homo sapiens" +"nalbuphine" 1874 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 6 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL895" "AGONIST" "Tclin" "Homo sapiens" +"nalbuphine" 1874 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 8 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL895" "AGONIST" "Tclin" "Homo sapiens" +"nalbuphine" 1874 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 8.8 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL895" "AGONIST" "Tclin" "Homo sapiens" +"nalbuphine" 1874 "Kappa-type opioid receptor" "GPCR" "P33534" "Oprk1" "OPRK_MOUSE" 7.4 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1663" "AGONIST" "Mus musculus" +"nalidixic acid" 1875 "DNA gyrase" "Enzyme" "P0AES4|P0AES6" "gyrA|gyrB" "GYRA_ECOLI|GYRB_ECOLI" "Mechanism of Action; CHEMBL2311224; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL5" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL5" "INHIBITOR" "Escherichia coli (strain K12)" +"nalidixic acid" 1875 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.1 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nalmefene" 1876 "Kappa-type opioid receptor" "GPCR" "P41144" "OPRK1" "OPRK_CAVPO" 8.7 "Ki" "Binding affinity towards kappa opioid receptor by displacement of [3H]EKC in guinea pig cortical tissue" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL982" "Cavia porcellus" +"nalmefene" 1876 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 9.92 "Ki" "Displacement of [3H]U69593 form human kappa opioid receptor expressed in CHO cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL982" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL982" "ANTAGONIST" "Tclin" "Homo sapiens" +"nalmefene" 1876 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 9.04 "Kd" "Activity at human delta opioid receptor by [35S]GTPgammaS binding assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL982" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL982" "ANTAGONIST" "Tclin" "Homo sapiens" +"nalmefene" 1876 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 9.53 "Kd" "Activity at human mu opioid receptor by [35S]GTPgammaS binding assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL982" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL982" "ANTAGONIST" "Tclin" "Homo sapiens" +"nalmefene" 1876 "Delta-type opioid receptor" "GPCR" "P33533" "Oprd1" "OPRD_RAT" 8.47 "Ki" "Binding affinity towards delta-opioid receptor by displacement of [3H]DADL in rat brain homogenates" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL982" "Rattus norvegicus" +"nalmefene" 1876 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 9.54 "Ki" "Binding affinity towards mu-opioid receptor by the displacement of [3H]Nal in rat brain homogenates" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL982" "Rattus norvegicus" +"nalorphine" 1877 "Kappa-type opioid receptor" "GPCR" "P41144" "OPRK1" "OPRK_CAVPO" 7.82 "Ki" "Binding affinity to Opioid receptor kappa 1 in guinea pig cortex using [3H]EKC as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL415284" "Cavia porcellus" +"nalorphine" 1877 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 9.42 "Ki" "Displacement of [3H]U69593 form human kappa opioid receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL415284" "Tclin" "Homo sapiens" +"nalorphine" 1877 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 6.92 "Ki" "Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL415284" "Tclin" "Homo sapiens" +"nalorphine" 1877 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 9.72 "Ki" "Displacement of [3H]DAMGO form human mu opioid receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL415284" "Tclin" "Homo sapiens" +"nalorphine" 1877 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.32 "IC50" "Inhibition of specific binding of [3H]NANM of sigma receptor in Guinea pig brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL415284" "Tclin" "Homo sapiens" +"nalorphine" 1877 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprk1|Oprm1|Sigmar1" "OPRD_RAT|OPRK_RAT|OPRM_RAT|SGMR1_RAT" 8.82 "EC50" "Binding affinity to rat brain opioid receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL415284" "Rattus norvegicus" +"nalorphine" 1877 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 8.7 "Ki" "Compound administered subcutaneously was evaluated for inhibition constant measured as the displacement of [3H]DAGO from rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL415284" "Rattus norvegicus" +"nalorphine" 1877 "Opioid receptor" "GPCR" "O55242|P32300|P33534|P42866" "Oprd1|Oprk1|Oprm1|Sigmar1" "OPRD_MOUSE|OPRK_MOUSE|OPRM_MOUSE|SGMR1_MOUSE" 7.23 "IC50" "Concentration required to inhibit the stereospecific [3H]diprenorphine binding Opioid receptors in the absence of sodium(Na+) was determined in mouse isolated vas deferens" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL415284" "Mus musculus" +"naloxone" 1878 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 7.27 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"naloxone" 1878 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 8.5 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"naloxone" 1878 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.698970004 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"naloxone" 1878 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 8.81 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL80" "ANTAGONIST" "Tclin" "Homo sapiens" +"naloxone" 1878 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 8.8 "IC50" "Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL80" "Tchem" "Homo sapiens" +"naloxone" 1878 "C-C chemokine receptor type 5" "GPCR" "P51682" "Ccr5" "CCR5_MOUSE" 7.98 "Kd" "Binding affinity to CCR5 in NY1DD transgenic mouse brain membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL80" "Mus musculus" +"naloxone" 1878 "Kappa-type opioid receptor" "GPCR" "P41144" "OPRK1" "OPRK_CAVPO" 8.5 "Ki" "Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL80" "Cavia porcellus" +"naloxone" 1878 "Delta-type opioid receptor" "GPCR" "P32300" "Oprd1" "OPRD_MOUSE" 7.3 "Kd" "Tested for inhibitory activity against (DPDE)delta receptor in mouse vas deferens" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL80" "Mus musculus" +"naloxone" 1878 "Mu-type opioid receptor" "GPCR" "P97266" "OPRM1" "OPRM_CAVPO" 9.17 "Ki" "Affinity to mu-receptor, using [3H]DAMGO as radioligand in homogenates of guinea pig brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL80" "Cavia porcellus" +"naloxone" 1878 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprk1|Oprm1|Sigmar1" "OPRD_RAT|OPRK_RAT|OPRM_RAT|SGMR1_RAT" 9 "Kd" "Displacement of [3H]-(-)-naloxone from opiate receptor in rat brain membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL80" "Rattus norvegicus" +"naloxone" 1878 "Kappa-type opioid receptor" "GPCR" "P34975" "Oprk1" "OPRK_RAT" 9 "Kd" "Compound was evaluated for Opioid receptor kappa 1 affinity against the receptor site model site 4(kappa)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL80" "Rattus norvegicus" +"naloxone" 1878 "Delta-type opioid receptor" "GPCR" "P33533" "Oprd1" "OPRD_RAT" 7.74 "Kd" "Affinity against the Opioid receptor delta 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL80" "Rattus norvegicus" +"naloxone" 1878 "Mu-type opioid receptor" "GPCR" "P79350" "OPRM1" "OPRM_BOVIN" 8.3 "IC50" "Inhibition of 0.5 nM [3H]- Bremazocine binding to Opioid receptor mu 1 of bovine striatum membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL80" "Bos taurus" +"naloxone" 1878 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 9.4 "Kd" "Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL80" "Rattus norvegicus" +"naloxone" 1878 "Kappa-type opioid receptor" "GPCR" "P33534" "Oprk1" "OPRK_MOUSE" 8.3 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1638" "ANTAGONIST" "Mus musculus" +"naloxone" 1878 "Mu-type opioid receptor" "GPCR" "P42866" "Oprm1" "OPRM_MOUSE" 9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1638" "ANTAGONIST" "Mus musculus" +"nandrolone" 1879 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 8.677780705 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"nandrolone" 1879 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 7.649751982 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"nandrolone" 1879 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 6.3 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL757" "Tchem" "Homo sapiens" +"nandrolone" 1879 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.45 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL757" "Tchem" "Homo sapiens" +"nandrolone" 1879 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" "UNKNOWN" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6949" "AGONIST" "Tclin" "Homo sapiens" +"nandrolone" 1879 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 6.14 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL757" "Tbio" "Homo sapiens" +"nandrolone decanoate" 1881 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" "Mechanism of Action; CHEMBL1871; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL757" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL757" "AGONIST" "Tclin" "Homo sapiens" +"nandrolone decanoate" 1881 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 6.14 "Ki" "Binding affinity to human CBG receptor (corticosteroid-binding globulins)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL757" "Tbio" "Homo sapiens" +"nandrolone decanoate" 1881 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 6.3 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL757" "Tchem" "Homo sapiens" +"nandrolone decanoate" 1881 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.46 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL757" "Tchem" "Homo sapiens" +"nandrolone decanoate" 1881 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 7.65 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL757" "Bos taurus" +"nandrolone decanoate" 1881 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 8.68 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL757" "Rattus norvegicus" +"nandrolone phenpropionate" 1882 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 9.5 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200412" "AGONIST" "Tclin" "Homo sapiens" +"nandrolone phenpropionate" 1882 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 6.7 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"naproxen" 1883 "Prostaglandin-H2 D-isomerase" "Enzyme" "O09114" "Ptgds" "PTGDS_MOUSE" 4.89 "IC50" "Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL154" "Mus musculus" +"naproxen" 1883 "Aldo-keto reductase family 1 member C3" "Enzyme" "P42330" "AKR1C3" "AK1C3_HUMAN" 6.32 "IC50" "Inhibition of recombinant human AKR1C3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL154" "Tchem" "Homo sapiens" +"naproxen" 1883 "Hormone-sensitive lipase" "Enzyme" "P15304" "Lipe" "LIPS_RAT" 5.92 "IC50" "Inhibition of HSL in Wistar rat isolated fat cells by spectrophotometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL154" "Rattus norvegicus" +"naproxen" 1883 "Aldo-keto reductase family 1 member C2" "Enzyme" "P52895" "AKR1C2" "AK1C2_HUMAN" 4.5 "IC50" "Inhibition of human recombinant N-terminal His6-tagged AKR1C2 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL154" "Tchem" "Homo sapiens" +"naproxen" 1883 "Prostaglandin G/H synthase 1" "Enzyme" "O62664" "PTGS1" "PGH1_BOVIN" 4.96 "IC50" "Inhibition of bovine seminal microsomal COX1 assessed as PGE2 production preincubated for 10 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL154" "Bos taurus" +"naproxen" 1883 "Cyclooxygenase" "Enzyme" "P35355|Q63921" "Ptgs1|Ptgs2" "PGH1_RAT|PGH2_RAT" 7.22 "IC50" "In vitro inhibitory activity against Prostaglandin G/H synthase in rat neutrophils" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL154" "Rattus norvegicus" +"naproxen" 1883 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 5.6 "IC50" "Inhibition activity against recombinant human Prostaglandin G/H synthase 2" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL154" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL154" "INHIBITOR" "Tclin" "Homo sapiens" +"naproxen" 1883 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 6.74 "IC50" "Inhibition of ovine COX-1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL154" "Ovis aries" +"naproxen" 1883 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.16 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL154" "INHIBITOR" "Tclin" "Homo sapiens" +"naratriptan" 1884 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 8.7959 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1278" "AGONIST" "Tclin" "Homo sapiens" +"naratriptan" 1884 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 8.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=45" "AGONIST" "Tclin" "Homo sapiens" +"naratriptan" 1884 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 7.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=45" "AGONIST" "Tchem" "Homo sapiens" +"naratriptan" 1884 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.35 "Ki" "In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1A receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1278" "Tclin" "Homo sapiens" +"naratriptan" 1884 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 8.48 "Ki" "In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1278" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1278" "AGONIST" "Tclin" "Homo sapiens" +"nateglinide" 1886 "Solute carrier family 22 member 6" "Transporter" "O35956" "Slc22a6" "S22A6_RAT" 5.04 "Ki" "Inhibition of rat Oat1 expressed in Xenopus oocytes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL783" "Rattus norvegicus" +"nateglinide" 1886 "Sulfonylurea receptor 2, Kir6.2" "Ion channel" "O60706|Q14654" "ABCC9|KCNJ11" "ABCC9_HUMAN|KCJ11_HUMAN" 4.98999977111816 "Ki" "WOMBAT-PK" "=" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"nateglinide" 1886 "Sulfonylurea receptor 1, Kir6.2" "Ion channel" "Q09428|Q14654" "ABCC8|KCNJ11" "ABCC8_HUMAN|KCJ11_HUMAN" 6.46000003814697 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL783" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"nebivolol" 1887 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 7.5 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL434394" "ANTAGONIST" "Tclin" "Homo sapiens" +"nebivolol" 1887 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 8.5 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL434394" "ANTAGONIST" "Tclin" "Homo sapiens" +"nebivolol" 1887 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nedocromil" 1889 "G-protein coupled receptor 35" "GPCR" "Q9HC97" "GPR35" "GPR35_HUMAN" 6.01322841644287 "EC50" "GPR35a–beta-arrestin-2 interaction assays performed using a CHO–K1 cell line stably expressing human GPR35 and beta-arrestin-2" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/24113750" "AGONIST" "Tchem" "Homo sapiens" +"nedocromil" 1889 "Cysteinyl leukotriene receptor 1" "GPCR" "Q9Y271" "CYSLTR1" "CLTR1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"nefazodone" 1890 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL623" "ANTAGONIST" "Tclin" "Homo sapiens" +"nefazodone" 1890 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.4437 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL623" "INHIBITOR" "Tclin" "Homo sapiens" +"nefazodone" 1890 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.699 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL623" "INHIBITOR" "Tclin" "Homo sapiens" +"nefazodone" 1890 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.4437 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nefazodone" 1890 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.4318 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nefazodone" 1890 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.6348 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nefazodone" 1890 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.7892 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nefazodone" 1890 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.0969 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nefazodone" 1890 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.7447 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nefazodone" 1890 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.142667504 "Ki" "PDSP" "Tclin" "Homo sapiens" +"nefazodone" 1890 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 6.24 "Ki" "Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL623" "Rattus norvegicus" +"nefazodone" 1890 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 5.62 "Ki" "Inhibition of [3H]- DA reuptake into rat striatal synaptosomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL623" "Rattus norvegicus" +"nefazodone" 1890 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 6.86 "Ki" "Inhibition of [3H]5-HT reuptake into rat frontal cortex synaptosomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL623" "Rattus norvegicus" +"nefazodone" 1890 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 5.38000011444092 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL623" "Tchem" "Homo sapiens" +"nefazodone" 1890 "Bile salt export pump" "Unclassified" "O70127" "Abcb11" "ABCBB_RAT" 4.76 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL623" "Rattus norvegicus" +"nefazodone" 1890 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7247" "INHIBITOR" "Tclin" "Homo sapiens" +"nefopam" 1891 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"nefopam" 1891 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.537602002 "Ki" "PDSP" "Tclin" "Homo sapiens" +"nefopam" 1891 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.48148606 "Ki" "PDSP" "Tclin" "Homo sapiens" +"nefopam" 1891 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.251811973 "Ki" "PDSP" "Tclin" "Homo sapiens" +"nefopam" 1891 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.48148606 "Ki" "PDSP" "Tclin" "Homo sapiens" +"nefopam" 1891 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.274905479 "Ki" "PDSP" "Tclin" "Homo sapiens" +"nefopam" 1891 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.773400095 "Ki" "PDSP" "Tclin" "Homo sapiens" +"nelarabine" 1892 "DNA" "DNA" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/021877s005lbl.pdf" "OTHER" +"nelfinavir" 1893 "SARS-CoV-2" "Virus" 5.53 "EC50" "Activity determined against Vero E6 cells" "SCIENTIFIC LITERATURE" "=" "http://dx.doi.org/10.26434/chemrxiv.12039888.v1" "INHIBITOR" +"nelfinavir" 1893 "Gag-Pol polyprotein" "Polyprotein" "P03367" "gag-pol" "POL_HV1BR" "WOMBAT-PK" "Human immunodeficiency virus type 1 group M subtype B (isolate BRU/LAI)" +"nelfinavir" 1893 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.232176502 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"nelfinavir" 1893 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.189297139 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"nelfinavir" 1893 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.698970004 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"nelfinavir" 1893 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.056554951 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"nelfinavir" 1893 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 4.208730519 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"nelfinavir" 1893 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 4.592337215 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"nelfinavir" 1893 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 4.908860846 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"nelfinavir" 1893 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.077637903 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"nelfinavir" 1893 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 4.841697831 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"nelfinavir" 1893 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 4.632290078 "Ki" "DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"nelfinavir" 1893 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 4.254698747 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"nelfinavir" 1893 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 4.101461298 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"nelfinavir" 1893 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.098487191 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"nelfinavir" 1893 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 4.675511767 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"nelfinavir" 1893 "Mitogen-activated protein kinase 3" "Kinase" "P27361" "MAPK3" "MK03_HUMAN" 4.64775958 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"nelfinavir" 1893 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 4.739356293 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"nelfinavir" 1893 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.009084245 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"nelfinavir" 1893 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 4.615127106 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"nelfinavir" 1893 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 4.860215336 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" +"nelfinavir" 1893 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 5.236272596 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"nelfinavir" 1893 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 4.7 "IC50" "Inhibition of human MDR1-dependent accumulation of calcein-AM expressed in MDCK2 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL584" "Tchem" "Homo sapiens" +"nelfinavir" 1893 "Pol polyprotein" "Enzyme" "Q72874" "pol" "Q72874_9HIV1" 11 "Ki" "Inhibition of HIV protease" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL584" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL584" "INHIBITOR" "Human immunodeficiency virus 1" +"nelfinavir" 1893 "Protease" "Enzyme" "Q9YQ12" "protease" "Q9YQ12_9HIV1" 10.15 "Ki" "Inhibition of wild-type HIV1 BH10 protease expressed in Escherichia coli by spectrophotometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL584" "Human immunodeficiency virus 1" +"nemonapride" 1895 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=983" "ANTAGONIST" "Tclin" "Homo sapiens" +"nemonapride" 1895 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 9.8 "Ki" "Binding affinity to rat Dopamine receptor D3 expressed in CHO cells was determined using [125 I] iodosulpride as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20734" "Rattus norvegicus" +"nemonapride" 1895 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 9.68 "Kd" "Binding Affinity to Human Dopamine receptor D4 expressed in CHO cells was determined using [3H]- nemonapride as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20734" "Tchem" "Homo sapiens" +"nemonapride" 1895 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 6.27 "IC50" "Binding affinity to the alpha-1 adrenergic receptor using a radioligand [3H]prazosin binding assay in rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20734" "Rattus norvegicus" +"nemonapride" 1895 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 9.8 "Ki" "Binding affinity to rat Dopamine receptor D2 expressed in CHO cells was determined using [125 I ] iodosulpride as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20734" "Rattus norvegicus" +"nemonapride" 1895 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 7.31 "IC50" "Binding affinity to serotonin 5-hydroxytryptamine 2A receptors using a radioligand [3H]ketanserin binding assay in rat cortical membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20734" "Rattus norvegicus" +"framycetin" 1896 "Phenylalanine--tRNA ligase alpha subunit" "Enzyme" "P08312" "pheS" "SYFA_ECOLI" "WOMBAT-PK" "Escherichia coli (strain K12)" +"framycetin" 1896 "Phenylalanine--tRNA ligase beta subunit" "Enzyme" "P07395" "pheT" "SYFB_ECOLI" "WOMBAT-PK" "Escherichia coli (strain K12)" +"framycetin" 1896 "30S ribosomal protein S12" "Cytosolic other" "P0A7S3" "rpsL" "RS12_ECOLI" "WOMBAT-PK" "Escherichia coli (strain K12)" +"framycetin" 1896 "Extracellular calcium-sensing receptor" "Unclassified" "P48442" "Casr" "CASR_RAT" 4 "Kd" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" +"neostigmine" 1897 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 7.59 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54126" "INHIBITOR" "Tclin" "Homo sapiens" +"neostigmine" 1897 "Acetylcholinesterase" "Enzyme" "P04058" "ache" "ACES_TORCA" 8.34 "IC50" "Inhibition of Torpedo californica eel AChE using acetylthiocholine/DTNB as substrate preincubated for 10 mins followed by substrate addition measured every 30 secs for 30 mins by Ellmans method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54126" "Torpedo californica" +"neostigmine" 1897 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 6 "Ki" "Tested for in vitro inhibition of acetylcholinesterase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54126" "Electrophorus electricus" +"neostigmine" 1897 "Acetylcholinesterase" "Enzyme" "P37136" "Ache" "ACES_RAT" 7.46 "IC50" "Inhibition of Wistar rat brain AChE by Ellman colorimetric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54126" "Rattus norvegicus" +"neostigmine" 1897 "Cholinesterase" "Enzyme" "P06276" "BCHE" "CHLE_HUMAN" 7.22 "IC50" "Inhibition of human plasma BChE pretreated for 30 mins by Ellman technique" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54126" "Tclin" "Homo sapiens" +"neostigmine" 1897 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 7.15 "IC50" "Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate after 10 mins by Ellman method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54126" "Equus caballus" +"nepafenac" 1899 "Cyclooxygenase" "Enzyme" "O62664|O62698" "PTGS1|PTGS2" "PGH1_BOVIN|PGH2_BOVIN" 6.7 "IC50" "Inhibition of PG synthetase activity obtained from bovine seminal vesicles" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1021" "Bos taurus" +"nepafenac" 1899 "Cyclooxygenase" "Enzyme" "P35355|Q63921" "Ptgs1|Ptgs2" "PGH1_RAT|PGH2_RAT" 7 "IC50" "Inhibitory activity against Prostaglandin G/H synthase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1021" "Rattus norvegicus" +"nepafenac" 1899 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 6.6 "IC50" "WOMBAT-PK" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D05143" "INHIBITOR" "Tclin" "Homo sapiens" +"nepafenac" 1899 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.82 "IC50" "WOMBAT-PK" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D05143" "INHIBITOR" "Tclin" "Homo sapiens" +"nepinalone" 1900 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.52287864685059 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/22711801" "Tclin" "Homo sapiens" +"nesiritide" 1901 "Atrial natriuretic peptide receptor 1" "Enzyme" "P16066" "NPR1" "ANPRA_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/20920s033lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"nevirapine" 1904 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" 6.4 "Ki" "Inhibition of HIV-1 wild-type RT" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL57" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL57" "INHIBITOR" "Human immunodeficiency virus 1" +"nevirapine" 1904 "Reverse transcriptase" "Enzyme" "Q9WKE8" "reverse transcriptas" "Q9WKE8_9HIV1" 6.3 "IC50" "Inhibition of RNA-dependent DNA polymerase activity of Human immunodeficiency virus 1 recombinant reverse transcriptase expressed in Escherichia coli using poly(rA)oligo(dT) template primer after 30 min" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL57" "Human immunodeficiency virus 1" +"nevirapine" 1904 "Pol polyprotein" "Enzyme" "Q72874" "pol" "Q72874_9HIV1" 7 "IC50" "Inhibition of HIV-1 RT using rC-dG as template" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL57" "Human immunodeficiency virus 1" +"nevirapine" 1904 "Gag-Pol polyprotein" "Polyprotein" "P03369" "gag-pol" "POL_HV1A2" 7.0969 "IC50" "WOMBAT-PK" "=" "Human immunodeficiency virus type 1 group M subtype B (isolate ARV2/SF2)" +"nicotinamide" 1906 "NAD-dependent deacetylase sirtuin 3" "Enzyme" "Q9NTG7" "SIRT3" "SIR3_HUMAN" 4.85 "IC50" "Inhibition of human recombinant SIRT3 after 60 mins by fluorimetric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1140" "Tchem" "Homo sapiens" +"nicotinamide" 1906 "Fatty-acid amide hydrolase 1" "Enzyme" "P97612" "Faah" "FAAH1_RAT" 5.48 "IC50" "Inhibition of Wistar rat brain FAAH" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1140" "Rattus norvegicus" +"nicotinamide" 1906 "NAD-dependent protein deacetylase sirtuin-2" "Enzyme" "Q8IXJ6" "SIRT2" "SIR2_HUMAN" 5.92 "IC50" "Inhibition of recombinant SIRT2 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1140" "Tchem" "Homo sapiens" +"nicotinamide" 1906 "NAD-dependent protein deacylase sirtuin-5, mitochondrial" "Enzyme" "Q9NXA8" "SIRT5" "SIR5_HUMAN" 4.33 "IC50" "Inhibition of SIRT5 using ZK(suc)A substrate after 1 hr by homogeneous fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1140" "Tbio" "Homo sapiens" +"nicotinamide" 1906 "NAD-dependent deacetylase HST2" "Enzyme" "P53686" "HST2" "HST2_YEAST" 4.04 "IC50" "Inhibition of yeast Hst2 by fluorimetric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1140" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"nicotinamide" 1906 "Putative silent information regulator 2" "Unclassified" "Q8I6E4" "SIR2RP1" "Q8I6E4_LEIIN" 4.4 "IC50" "Inhibition of Leishmania infantum SIR2RP1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1140" "Leishmania infantum" +"nicotinamide" 1906 "NAD-dependent protein deacetylase sirtuin-1" "Enzyme" "Q96EB6" "SIRT1" "SIR1_HUMAN" 4.3 "IC50" "Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1140" "Tchem" "Homo sapiens" +"nicotinamide" 1906 "Hydroxycarboxylic acid receptor 2" "GPCR" "Q8TDS4" "HCAR2" "HCAR2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"nicotinamide" 1906 "Hydroxycarboxylic acid receptor 3" "GPCR" "P49019" "HCAR3" "HCAR3_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"nicotinamide" 1906 "Nicotinate-nucleotide pyrophosphorylase [carboxylating]" "Enzyme" "Q15274" "QPRT" "NADC_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"nicotinamide" 1906 "Nicotinamide N-methyltransferase" "Enzyme" "P40261" "NNMT" "NNMT_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"nicardipine" 1909 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 5.5528 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nicardipine" 1909 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"nicardipine" 1909 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 6.5528 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"nicardipine" 1909 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6.3768 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nicardipine" 1909 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.32 "IC50" "Inhibition of P-glycoprotein expressed in A2780/ADR cells by calcein AM assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1484" "Tchem" "Homo sapiens" +"nicardipine" 1909 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 5.85 "IC50" "Alpha-2-adrenolytic activity was assessed from the ability to inhibit [3H]yohimbine binding to rat cerebral cortex preparation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1484" "Rattus norvegicus" +"nicardipine" 1909 "Malate dehydrogenase cytoplasmic " "Enzyme" "P40925" "MDH1" "MDHC_HUMAN" 4.3 "IC50" "Inhibition of malate dehydrogenase (MDH)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1484" "Tbio" "Homo sapiens" +"nicardipine" 1909 "Equilibrative nucleoside transporter 1" "Transporter" "O54698" "Slc29a1" "S29A1_RAT" 5.27 "Ki" "Ability to displace radioligand from Na+ independent Adenosine transporter in rat" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1484" "Rattus norvegicus" +"nicardipine" 1909 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.49 "Ki" "Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1484" "Tchem" "Homo sapiens" +"nicardipine" 1909 "Beta-lactamase" "Enzyme" "P00811" "ampC" "AMPC_ECOLI" 4.7 "IC50" "Compound was tested for the inhibition of beta-lactamase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1484" "Escherichia coli (strain K12)" +"nicardipine" 1909 "Adenosine receptor A3" "GPCR" "P28647" "Adora3" "AA3R_RAT" 4.96 "Ki" "Binding affinity against rat Adenosine A3 receptor from CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1484" "Rattus norvegicus" +"nicardipine" 1909 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 5.44 "IC50" "Alpha-1-adrenolytic activity was assessed from the ability to inhibit [3H]prazosin binding to rat cerebral cortex preparation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1484" "Rattus norvegicus" +"nicardipine" 1909 "Adenosine receptor A2a" "GPCR" "P30543" "Adora2a" "AA2AR_RAT" 4.2 "Ki" "Displacement of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1484" "Rattus norvegicus" +"nicardipine" 1909 "Voltage-gated L-type calcium channel" "Ion channel" "P22002|P27732|Q02485" "Cacna1c|Cacna1d|Cacna1s" "CAC1C_RAT|CAC1D_RAT|CAC1S_RAT" 9.08 "Ki" "Inhibition of [3H]nitrendipine binding to L-type calcium channel from rat brain cortex homogenate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1484" "Rattus norvegicus" +"nicardipine" 1909 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 4.71 "Ki" "Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1484" "Rattus norvegicus" +"nicardipine" 1909 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" 4.78 "IC50" "Inhibition of ABCG2 in human mitoxantrone-resistant MCF7 cells by Hoechst 33342 assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1484" "Tchem" "Homo sapiens" +"nicardipine" 1909 "Voltage-gated L-type calcium channel" "Ion channel" "Q01668|Q13936" "CACNA1C|CACNA1D" "CAC1C_HUMAN|CAC1D_HUMAN" "Mechanism of Action" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1484" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1484" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"nicardipine" 1909 "Potassium voltage-gated channel subfamily A member 4" "Unclassified" "P15385" "Kcna4" "KCNA4_RAT" 6.1 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2559" "BLOCKER" "Rattus norvegicus" +"niclosamide" 1912 "SARS-CoV-2" "Virus" 6.55 "IC50" "SCIENTIFIC LITERATURE" "=" "http://dx.doi.org/10.1101/2020.03.20.999730" "INHIBITOR" +"niclosamide" 1912 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 7.0458 "EC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"niclosamide" 1912 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 4.98 "IC50" "Inhibition of EGFR after 60 mins by radiometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1448" "Tclin" "Homo sapiens" +"niclosamide" 1912 "RAC-alpha serine/threonine-protein kinase" "Kinase" "P31749" "AKT1" "AKT1_HUMAN" 4.23 "IC50" "Inhibition of Akt1 after 60 mins by radiometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1448" "Tchem" "Homo sapiens" +"niclosamide" 1912 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 4.64 "IC50" "Inhibition of VEGFR2 after 60 mins by radiometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1448" "Tclin" "Homo sapiens" +"niclosamide" 1912 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 5 "IC50" "Inhibition of Src kinase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1448" "Tclin" "Homo sapiens" +"niclosamide" 1912 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 4.17 "IC50" "Inhibition of TIE2 after 60 mins by radiometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1448" "Tclin" "Homo sapiens" +"niclosamide" 1912 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 5 "IC50" "Inhibition of JAK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1448" "Tclin" "Homo sapiens" +"niclosamide" 1912 "Signal transducer and activator of transcription 3" "Transcription factor" "P40763" "STAT3" "STAT3_HUMAN" 6.6 "IC50" "Inhibition of STAT3 in human HeLa cells after 24 hrs by luciferase reporter gene assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1448" "Tchem" "Homo sapiens" +"niclosamide" 1912 "Aurora kinase A" "Kinase" "O14965" "AURKA" "AURKA_HUMAN" 4.27 "IC50" "Inhibition of Aurora-A after 60 mins by radiometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1448" "Tchem" "Homo sapiens" +"niclosamide" 1912 "3-phosphoinositide-dependent protein kinase 1" "Kinase" "O15530" "PDPK1" "PDPK1_HUMAN" 4.08 "IC50" "Inhibition of PDK1 after 60 mins by radiometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1448" "Tchem" "Homo sapiens" +"niclosamide" 1912 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 4.88 "IC50" "Inhibition of FGFR-1 after 60 mins by radiometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1448" "Tclin" "Homo sapiens" +"niclosamide" 1912 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 4.56 "IC50" "Inhibition of KIT after 60 mins by radiometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1448" "Tclin" "Homo sapiens" +"niclosamide" 1912 "Glycogen synthase kinase-3 beta" "Kinase" "P49841" "GSK3B" "GSK3B_HUMAN" 4.11 "IC50" "Inhibition of GSK3-beta after 60 mins by radiometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1448" "Tclin" "Homo sapiens" +"niclosamide" 1912 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 4.62 "IC50" "Inhibition of LYN after 60 mins by radiometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1448" "Tclin" "Homo sapiens" +"nicorandil" 1919 "Atrial natriuretic peptide receptor 1" "Enzyme" "P16066" "NPR1" "ANPRA_HUMAN" 7.2 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nicorandil" 1919 "ATP-sensitive inward rectifier potassium channel 1" "Ion channel" "P48048" "KCNJ1" "KCNJ1_HUMAN" 5.95 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"nicorandil" 1919 "ATP-sensitive inward rectifier potassium channel 11" "Ion channel" "Q14654" "KCNJ11" "KCJ11_HUMAN" 5.8861 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nicotine" 1920 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P17787|P43681" "CHRNA4|CHRNB2" "ACHA4_HUMAN|ACHB2_HUMAN" 8.56 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "AGONIST" "Tclin|Tclin" "Homo sapiens" +"nicotine" 1920 "Neuronal acetylcholine receptor subunit alpha-4" "Ion channel" "P09483" "Chrna4" "ACHA4_RAT" 9.03 "Ki" "Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Rattus norvegicus" +"nicotine" 1920 "Neuronal acetylcholine receptor subunit alpha-4" "Ion channel" "O70174" "Chrna4" "ACHA4_MOUSE" 8.15 "IC50" "Inhibition of [3H]nicotine binding to alpha4 nicotinic acetylcholine receptor in Mus musculus (mouse) M10 cells co-expressing beta2 nicotinic acetylcholine receptor subunits" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Mus musculus" +"nicotine" 1920 "Neuronal acetylcholine receptor" "Ion channel" "P04757|P09483|P12389|P12390|P12391|P12392|P20420|P25108|P25109|P43143|P43144|Q05941|Q9JLB5" "Chrna1|Chrna10|Chrna2|Chrna3|Chrna4|Chrna5|Chrna6|Chrna7|Chrna9|Chrnb1|Chrnb2|Chrnb3|Chrnb4" "ACH10_RAT|ACHA2_RAT|ACHA3_RAT|ACHA4_RAT|ACHA5_RAT|ACHA6_RAT|ACHA7_RAT|ACHA9_RAT|ACHA_RAT|ACHB2_RAT|ACHB3_RAT|ACHB4_RAT|ACHB_RAT" 11 "Kd" "Ability to enhance the binding of (+/-)-[3H]nicotine to the rat brain P2 fraction at binding site 2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Rattus norvegicus" +"nicotine" 1920 "Neuronal acetylcholine receptor subunit alpha-9" "Ion channel" "P43144" "Chrna9" "ACHA9_RAT" 8.3 "Kd" "The compound was tested for the inhibition of binding of [3H]epibatidine to central nicotinic acetylcholine receptor (nAChR) in rat brain." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Rattus norvegicus" +"nicotine" 1920 "Neuronal acetylcholine receptor subunit beta-4" "Ion channel" "P12392" "Chrnb4" "ACHB4_RAT" 7.14 "Ki" "Binding affinity to Nicotinic acetylcholine receptor alpha3-beta4 using +/-[3H]epibatidine as radioligand in pig adrenal gland" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Rattus norvegicus" +"nicotine" 1920 "Neuronal acetylcholine receptor subunit alpha-2" "Ion channel" "P12389" "Chrna2" "ACHA2_RAT" 7.92 "Ki" "Displacement of [3H]epibatidine from rat alpha2beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Rattus norvegicus" +"nicotine" 1920 "Acetylcholine receptor; alpha1/beta1/delta/gamma" "Ion channel" "P02708|P07510|P11230|Q07001" "CHRNA1|CHRNB1|CHRND|CHRNG" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN|ACHG_HUMAN" 5.83 "Ki" "Binding affinity to alpha-1-beta-gamma-delta nicotinic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"nicotine" 1920 "Neuronal acetylcholine receptor; alpha3/beta2" "Ion channel" "P04757|P12390" "Chrna3|Chrnb2" "ACHA3_RAT|ACHB2_RAT" 9 "Ki" "Affinity for Nicotinic acetylcholine receptor alpha4-beta2 tested by analogue-induced inhibition of [3H]NIC binding to rat striatal membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Rattus norvegicus" +"nicotine" 1920 "Neuronal acetylcholine receptor; alpha3/beta4" "Ion channel" "P04757|P12392" "Chrna3|Chrnb4" "ACHA3_RAT|ACHB4_RAT" 6.7 "Ki" "Displacement of [3H]epibatidine from recombinant rat alpha-3-beta-4 nAChr in HEK293 cell line" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Rattus norvegicus" +"nicotine" 1920 "Neuronal acetylcholine receptor; alpha2/beta2" "Ion channel" "P12389|P12390" "Chrna2|Chrnb2" "ACHA2_RAT|ACHB2_RAT" 8.26 "Ki" "Displacement of [3H]epibatidine from rat nAChR alpha2beta2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Rattus norvegicus" +"nicotine" 1920 "Neuronal acetylcholine receptor; alpha2/beta4" "Ion channel" "P12389|P12392" "Chrna2|Chrnb4" "ACHA2_RAT|ACHB4_RAT" 7.15 "Ki" "Displacement of [3H]epibatidine from rat nAChR alpha2beta4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Rattus norvegicus" +"nicotine" 1920 "Nicotinic acetylcholine receptor alpha 5 subunit" "Ion channel" "A9XFY4" "nAChRalpha5" "A9XFY4_MUSDO" 5.61 "Ki" "Displacement of [3H]alpha-bungarotoxin from nAChR in Musca domestica (house fly) head membrane after 60 min by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Musca domestica" +"nicotine" 1920 "Acetylcholine receptor subunit delta" "Ion channel" "P02718" "chrnd" "ACHD_TORCA" 9 "Ki" "Bindind affinity values obtained by measuring the displacement of radioligand [3H](-)-cytisine from a preparation of whole rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Torpedo californica" +"nicotine" 1920 "Neuronal acetylcholine receptor; alpha4/beta4" "Ion channel" "P09483|P12392" "Chrna4|Chrnb4" "ACHA4_RAT|ACHB4_RAT" 8.26 "Ki" "Displacement of [3H]epibatidine from rat alpha2beta2 nACHR" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Rattus norvegicus" +"nicotine" 1920 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P09483|P12390" "Chrna4|Chrnb2" "ACHA4_RAT|ACHB2_RAT" 9.4 "Kd" "GRAC: rat AChR-alpha4-beta2 radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Rattus norvegicus" +"nicotine" 1920 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "Q05941" "Chrna7" "ACHA7_RAT" 6.89 "Ki" "Binding affinity to subtype Nicotinic acetylcholine receptor alpha-7 using [125I]-alpha-BTX as radioligand in rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Rattus norvegicus" +"nicotine" 1920 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P49582" "Chrna7" "ACHA7_MOUSE" 6.61 "Ki" "Displacement of [125I]-alpha-Btx from alpha7 nAChR in mouse hippocampal membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Mus musculus" +"nicotine" 1920 "Acetylcholine receptor" "Ion channel" "P02710|P02712|P02714|P02718" "CHRNA1|CHRNB1|CHRNG|chrnd" "ACHA_TORCA|ACHB_TORCA|ACHD_TORCA|ACHG_TORCA" 5.2 "Ki" "Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha1 beta gamma delta of electroplax" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Torpedo californica" +"nicotine" 1920 "Neuronal acetylcholine receptor subunit alpha-3" "Ion channel" "P04757" "Chrna3" "ACHA3_RAT" 7.33 "Ki" "Displacement of [3H]epibatidine from rat alpha3beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Rattus norvegicus" +"nicotine" 1920 "Acetylcholine receptor subunit beta-like 2" "Ion channel" "P25162" "nAChRbeta2" "ACH4_DROME" 5.57 "Ki" "Binding affinity to Drosophila brain nicotinic acetylcholine receptor assessed as [3H]IMI binding by radioligand binding assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Drosophila melanogaster" +"nicotine" 1920 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm2|Chrm3|Chrm4|Chrm5" "ACM1_RAT|ACM2_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT" 4.55 "IC50" "Inhibitory concentration required for in vitro binding affinity to cholinergic central muscarinic receptor on rat brain cortex by using [3H]OXO-M" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Rattus norvegicus" +"nicotine" 1920 "Serotonin 3 (5-HT3) receptor" "Ion channel" "A5X5Y0|O95264|P46098|Q70Z44|Q8WXA8" "HTR3A|HTR3B|HTR3C|HTR3D|HTR3E" "5HT3A_HUMAN|5HT3B_HUMAN|5HT3C_HUMAN|5HT3D_HUMAN|5HT3E_HUMAN" 4.15 "Ki" "In vitro Binding affinity towards 5-hydroxytryptamine 3 receptor was determined" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Tchem|Tchem|Tchem|Tchem|Tclin" "Homo sapiens" +"nicotine" 1920 "Acetylcholine receptor subunit alpha" "Ion channel" "P02708" "CHRNA1" "ACHA_HUMAN" 4.68 "IC50" "Inhibition of [3H]alpha-BGT binding to alpha1 nicotinic acetylcholine receptor in Homo sapiens (human) TE671 cells co-expressing gammaalpha1deltabeta1 nicotinic acetylcholine receptor subunits" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Tclin" "Homo sapiens" +"nicotine" 1920 "Lycopene cyclase" "Enzyme" "P21687" "crtY" "CRTY_PANAN" 5.32 "IC50" "Inhibition of Pantoea ananatis lycopene cyclase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Pantoea ananas" +"nicotine" 1920 "Acetylcholine receptor subunit alpha" "Ion channel" "P02710" "CHRNA1" "ACHA_TORCA" 4.64 "IC50" "Displacement of [3H]alpha-BGT from nAChR in Torpedo nobiliana electric organs" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Torpedo californica" +"nicotine" 1920 "Soluble acetylcholine receptor" "Unclassified" "Q8WSF8" "Q8WSF8_APLCA" 7.52 "Ki" "Binding affinity to salt water mollusc Aplysia californica AChBP Y55W mutant assessed as [3H]acetamiprid binding by radioligand binding assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Aplysia californica" +"nicotine" 1920 "Neuronal acetylcholine receptor subunit alpha-4" "Ion channel" "P09482" "CHRNA4" "ACHA4_CHICK" 8.72 "Ki" "Binding affinity to recombinant Gallus gallus (chicken) alpha4beta2 nicotinic acetylcholine receptor assessed as [3H]NIC binding by radioligand binding assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Gallus gallus" +"nicotine" 1920 "Acetylcholine-binding protein" "Unclassified" "P58154" "ACHP_LYMST" 7.2 "Ki" "Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Lymnaea stagnalis" +"nicotine" 1920 "Neuronal acetylcholine receptor; alpha3/beta4" "Ion channel" "P30926|P32297" "CHRNA3|CHRNB4" "ACHA3_HUMAN|ACHB4_HUMAN" 5.95 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin" "Homo sapiens" +"nicotine" 1920 "Neuronal acetylcholine receptor; alpha3/beta2" "Ion channel" "P17787|P32297" "CHRNA3|CHRNB2" "ACHA3_HUMAN|ACHB2_HUMAN" 7.8539 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin" "Homo sapiens" +"nicotine" 1920 "Cytochrome P450 2A6" "Enzyme" "P11509" "CYP2A6" "CP2A6_HUMAN" 5.3565 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"nicotine" 1920 "Potassium voltage-gated channel subfamily D member 3" "Ion channel" "Q9UK17" "KCND3" "KCND3_HUMAN" 7.4 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nicotine" 1920 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P36544" "CHRNA7" "ACHA7_HUMAN" 5.39 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"nicotine" 1920 "Transient receptor potential cation channel subfamily A member 1" "Ion channel" "O75762" "TRPA1" "TRPA1_HUMAN" 4.8 "EC50" "Patch clamp" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2585" "ACTIVATOR" "Tclin" "Homo sapiens" +"nicotine" 1920 "Neuronal acetylcholine receptor; alpha2/beta2" "Ion channel" "P17787|Q15822" "CHRNA2|CHRNB2" "ACHA2_HUMAN|ACHB2_HUMAN" 8.26000022888184 "Ki" "Displacement of [3H]epibatidine from alpha2beta2 nAChR after 4 hrs by liquid scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Tchem|Tclin" "Homo sapiens" +"nicotine" 1920 "Neuronal acetylcholine receptor; alpha4/beta4" "Ion channel" "P30926|P43681" "CHRNA4|CHRNB4" "ACHA4_HUMAN|ACHB4_HUMAN" 7.6399998664856 "Ki" "Displacement of [3H]epibatidine from alpha4beta4 nAChR after 4 hrs by liquid scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Tclin|Tclin" "Homo sapiens" +"nicotine" 1920 "Neuronal acetylcholine receptor subunit alpha-3" "Ion channel" "P32297" "CHRNA3" "ACHA3_HUMAN" 7.34999990463257 "IC50" "Inhibition of [3H]nicotine binding to alpha3 nicotinic acetylcholine receptor in Homo sapiens (human) SH-SY5Y cells co-expressing beta2beta4alpha5 Nicotinic acetylcholine receptor subunits" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Tclin" "Homo sapiens" +"nicotine" 1920 "Neuronal acetylcholine receptor; alpha2/beta4" "Ion channel" "P30926|Q15822" "CHRNA2|CHRNB4" "ACHA2_HUMAN|ACHB4_HUMAN" 7.15000009536743 "Ki" "Displacement of [3H]epibatidine from alpha2beta4 nAChR after 4 hrs by liquid scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Tchem|Tclin" "Homo sapiens" +"nicotine" 1920 "Neuronal acetylcholine receptor; alpha3/alpha6/beta2/beta3" "Ion channel" "P17787|P32297|Q05901|Q15825" "CHRNA3|CHRNA6|CHRNB2|CHRNB3" "ACHA3_HUMAN|ACHA6_HUMAN|ACHB2_HUMAN|ACHB3_HUMAN" 7.07000017166138 "IC50" "Antagonist activity at human alpha6/alpha3beta2beta3 nAChR expressed in human SHEP1 cells assessed as inhibition of carbamylcholine-induced 86Rb+ ion efflux preincubated for 10 mins by liquid scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "Tchem|Tchem|Tclin|Tclin" "Homo sapiens" +"nicotine" 1920 "Potassium voltage-gated channel subfamily D member 3" "Unclassified" "Q62897" "Kcnd3" "KCND3_RAT" 7.4 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2585" "BLOCKER" "Rattus norvegicus" +"nifedipine" 1922 "Voltage-dependent L-type calcium channel subunit alpha-1D" "Ion channel" "Q01668" "CACNA1D" "CAC1D_HUMAN" 7.7 "IC50" "Recombinant Cav1.3 calcium channel complexes expressed in tsA-cells" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2514" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193" "GATING INHIBITOR" "Tclin" "Homo sapiens" +"nifedipine" 1922 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.49485015869141 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"nifedipine" 1922 "Voltage-dependent L-type calcium channel subunit alpha-1F" "Ion channel" "O60840" "CACNA1F" "CAC1F_HUMAN" 6 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2514" "GATING INHIBITOR" "Tclin" "Homo sapiens" +"nifedipine" 1922 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.01899731 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"nifedipine" 1922 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 5.347560252 "Ki" "DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"nifedipine" 1922 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 6.522878745 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"nifedipine" 1922 "cAMP-specific 3',5'-cyclic phosphodiesterase 4A" "Enzyme" "P27815" "PDE4A" "PDE4A_HUMAN" 4.354990605 "IC50" "DRUGMATRIX: Phosphodiesterase PDE4 enzyme inhibition (substrate: [3H]cAMP + cAMP)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"nifedipine" 1922 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 4.730627173 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"nifedipine" 1922 "C-C chemokine receptor type 2" "GPCR" "P41597" "CCR2" "CCR2_HUMAN" 6.07211659 "Ki" "DRUGMATRIX: Chemokine CCR2B radioligand binding (ligand: [125I] MCP-1)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"nifedipine" 1922 "Sodium/nucleoside cotransporter 1" "Transporter" "O00337" "SLC28A1" "S28A1_HUMAN" 5.088682558 "Ki" "DRUGMATRIX: Sodium/nucleoside co-transporter radioligand binding (ligand: nitrobenzylthioinosine)" "DRUG MATRIX" "=" "Tbio" "Homo sapiens" +"nifedipine" 1922 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 4.820994292 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" +"nifedipine" 1922 "Potassium voltage-gated channel subfamily A member 2" "Ion channel" "P16389" "KCNA2" "KCNA2_HUMAN" 4.7 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nifedipine" 1922 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 4.6716 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nifedipine" 1922 "Transthyretin" "Secreted" "P02766" "TTR" "TTHY_HUMAN" 5.6576 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nifedipine" 1922 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 5.48 "IC50" "GRAC: human Glycine receptor subunit alpha-1 selective antagonist" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193" "Tclin" "Homo sapiens" +"nifedipine" 1922 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.08 "Ki" "Inhibition of [125I]- AB-MECA binding to human Adenosine A3 receptors expressed in HEK cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193" "Tchem" "Homo sapiens" +"nifedipine" 1922 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "P15381" "CACNA1C" "CAC1C_RABIT" 9 "IC50" "Inhibition of [3H]nitrendipine binding to calcium channels in Rabbit cardiac muscle." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193" "Oryctolagus cuniculus" +"nifedipine" 1922 "Glutathione reductase, mitochondrial" "Enzyme" "P00390" "GSR" "GSHR_HUMAN" 4.76 "Ki" "Competitive inhibition of human erythrocyte Glutathione reductase using GSSG substrate by Lineweaver-Burk plot analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193" "Tclin" "Homo sapiens" +"nifedipine" 1922 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "O35505" "CACNA1C" "CAC1C_CAVPO" 8.59 "IC50" "Antagonist activity at Cavia porcellus albino (guinea pig) calcium channel assessed as inhibition of KCl-induced ileal longitudinal smooth muscle contraction" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193" "Cavia porcellus" +"nifedipine" 1922 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.43 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193" "Tclin|Tclin|Tclin" "Homo sapiens" +"nifedipine" 1922 "Adenosine receptor A2a" "GPCR" "P30543" "Adora2a" "AA2AR_RAT" 4.74 "Ki" "Displacement of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193" "Rattus norvegicus" +"nifedipine" 1922 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 5.92 "Ki" "Inhibition of Equus caballus (horse) serum butyrylcholinesterase (BChE) assessed as inhibition of BTCh hydrolysis by Ellman method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193" "Equus caballus" +"nifedipine" 1922 "Voltage-gated L-type calcium channel" "Ion channel" "P22002|P27732|Q02485" "Cacna1c|Cacna1d|Cacna1s" "CAC1C_RAT|CAC1D_RAT|CAC1S_RAT" 8.33 "Ki" "Inhibition of [3H]nitrendipine binding to L-type calcium channel from rat brain cortex homogenate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193" "Rattus norvegicus" +"nifedipine" 1922 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 5.54 "Ki" "Binding affinity against adenosine A1 receptor in rat cerebral cortex membrane by radioligand binding assay using [3H](R)-PIA." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193" "Rattus norvegicus" +"nifedipine" 1922 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P28776" "Ido1" "I23O1_MOUSE" 4.34 "IC50" "Inhibition of mouse Ido1 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193" "Mus musculus" +"nifedipine" 1922 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" 9.4 "Kd" "Displacement of [3H]nitrendipine from dihydropyridine receptor of guinea pig myocardial membranes" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193" "http://www.ncbi.nlm.nih.gov/pubmed/17276408" "BLOCKER" "Tclin" "Homo sapiens" +"nifedipine" 1922 "Voltage-dependent L-type calcium channel subunit alpha-1D" "Ion channel" "P27732" "Cacna1d" "CAC1D_RAT" 8.92 "Ki" "Binding affinity for L-type [Ca2+] channels was measured through displacement of [3H]nitrendipine on rat cortex homogenates." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193" "Rattus norvegicus" +"nifedipine" 1922 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "P22002" "Cacna1c" "CAC1C_RAT" 8.46 "Ki" "Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193" "Rattus norvegicus" +"nifedipine" 1922 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 5.4 "Ki" "Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) assessed as inhibition of ATCh hydrolysis by Ellman method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193" "Electrophorus electricus" +"nifedipine" 1922 "Potassium voltage-gated channel subfamily A member 5" "Ion channel" "P22460" "KCNA5" "KCNA5_HUMAN" 5.21 "IC50" "Inhibition of human Kv1.5 channel expressed in mouse L929 cells by EP voltage clamp technique" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193" "Tclin" "Homo sapiens" +"nifedipine" 1922 "Indoleamine 2,3-dioxygenase 2" "Enzyme" "Q8R0V5" "Ido2" "I23O2_MOUSE" 5.82 "IC50" "Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193" "Mus musculus" +"nifedipine" 1922 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 4.65 "Ki" "Binding affinity for HA-tagged mutant human Adenosine A2A receptor (V84L), using [3H]CGS-21680 as radioligand expressed in COS-7 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193" "Tclin" "Homo sapiens" +"nifedipine" 1922 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.26 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nifedipine" 1922 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.3 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nifedipine" 1922 "Glycine receptor subunit alpha-3" "Ion channel" "O75311" "GLRA3" "GLRA3_HUMAN" 4.5 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2514" "ANTAGONIST" "Tchem" "Homo sapiens" +"nifedipine" 1922 "Glycine receptor subunit beta" "Ion channel" "P48167" "GLRB" "GLRB_HUMAN" 5.9 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2514" "ANTAGONIST" "Tclin" "Homo sapiens" +"nifedipine" 1922 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 4.51000022888184 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193" "Tchem" "Homo sapiens" +"nifedipine" 1922 "Bile salt export pump" "Unclassified" "O70127" "Abcb11" "ABCBB_RAT" 4.34 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193" "Rattus norvegicus" +"nifedipine" 1922 "Myosin light chain kinase, smooth muscle" "Kinase" "Q15746" "MYLK" "MYLK_HUMAN" 5.69 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193" "Tchem" "Homo sapiens" +"nifedipine" 1922 "Potassium voltage-gated channel subfamily A member 1" "Unclassified" "P16388" "Kcna1" "KCNA1_MOUSE" 4 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2514" "BLOCKER" "Mus musculus" +"nifedipine" 1922 "Potassium voltage-gated channel subfamily A member 2" "Unclassified" "P63142" "Kcna2" "KCNA2_RAT" 4.7 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2514" "BLOCKER" "Rattus norvegicus" +"nifedipine" 1922 "Potassium voltage-gated channel subfamily A member 7" "Unclassified" "Q17ST2" "Kcna7" "KCNA7_MOUSE" 4.9 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2514" "BLOCKER" "Mus musculus" +"nifedipine" 1922 "Voltage-dependent L-type calcium channel subunit alpha-1S" "Ion channel" "Q13698" "CACNA1S" "CAC1S_HUMAN" 6.3 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2514" "INHIBITOR" "Tclin" "Homo sapiens" +"nifekalant" 1923 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.99 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL360861" "Tchem" "Homo sapiens" +"nifekalant" 1923 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5 "IC50" "Inhibitory concentration against IKr potassium channel" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL360861" "Tclin" "Homo sapiens" +"nifekalant" 1923 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 5.57 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL360861" "Tchem" "Homo sapiens" +"nifekalant" 1923 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 6.19 "IC50" "Inhibition of human MATE1-mediated [14]-metformin uptake expressed in polarized MDCK2 cells after 5 mins by liquid scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL360861" "Tchem" "Homo sapiens" +"niflumic acid" 1925 "Chloride channel protein ClC-Ka" "Ion channel" "P51800" "CLCNKA" "CLCKA_HUMAN" 5 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2439" "ACTIVATOR" "Tbio" "Homo sapiens" +"niflumic acid" 1925 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.037157319 "IC50" "DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"niflumic acid" 1925 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.973058372 "IC50" "DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"niflumic acid" 1925 "G-protein coupled receptor 35" "GPCR" "Q9HC97" "GPR35" "GPR35_HUMAN" 5.44 "Ki" "Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL63323" "Tchem" "Homo sapiens" +"niflumic acid" 1925 "Chloride channel protein ClC-Kb" "Ion channel" "P51801" "CLCNKB" "CLCKB_HUMAN" 5 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2439" "ACTIVATOR" "Tbio" "Homo sapiens" +"niflumic acid" 1925 "Transthyretin" "Secreted" "P02766" "TTR" "TTHY_HUMAN" 6.59 "Kd" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL63323" "Tclin" "Homo sapiens" +"niflumic acid" 1925 "Potassium channel subfamily T member 2" "Ion channel" "Q6UVM3" "KCNT2" "KCNT2_HUMAN" 8.68 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2439" "ACTIVATOR" "Tbio" "Homo sapiens" +"nifuroxazide" 1928 "Signal transducer and activator of transcription 3" "Transcription factor" "P40763" "STAT3" "STAT3_HUMAN" 5.52 "EC50" "Inhibition of STAT3 expressed in human U3A cells after 1 hr by luciferase reporter gene assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL244888" "Tchem" "Homo sapiens" +"nilotinib" 1932 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" 5.387110231 "Ki" "PDSP" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Cytoplasmic tyrosine-protein kinase BMX" "Kinase" "P51813" "BMX" "BMX_HUMAN" 5.318035541 "Ki" "PDSP" "Tchem" "Homo sapiens" +"nilotinib" 1932 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" 5.141462802 "Ki" "PDSP" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 5.09560908 "Ki" "PDSP" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 5.068592986 "Ki" "PDSP" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Mitogen-activated protein kinase 10" "Kinase" "P53779" "MAPK10" "MK10_HUMAN" 5.7 "Kd" "Binding constant for JNK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tchem" "Homo sapiens" +"nilotinib" 1932 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 4.4 "Kd" "Binding affinity to human FLT3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 8.44 "Kd" "Binding affinity to human ABL1" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "INHIBITOR" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 8.39 "Ki" "Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 5.33 "Ki" "Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Mus musculus" +"nilotinib" 1932 "Mitogen-activated protein kinase 9" "Kinase" "P45984" "MAPK9" "MK09_HUMAN" 5.24 "Kd" "Binding constant for JNK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tchem" "Homo sapiens" +"nilotinib" 1932 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 5.72 "Kd" "Binding constant for SRC kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 7.13 "Kd" "Binding affinity to human PDGFRalpha" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Ephrin type-B receptor 4" "Kinase" "P54760" "EPHB4" "EPHB4_HUMAN" 6.14 "Kd" "Binding constant for EPHB4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tchem" "Homo sapiens" +"nilotinib" 1932 "Dual specificity mitogen-activated protein kinase kinase 5" "Kinase" "Q13163" "MAP2K5" "MP2K5_HUMAN" 6.72 "Kd" "Binding constant for MEK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tchem" "Homo sapiens" +"nilotinib" 1932 "Mitogen-activated protein kinase kinase kinase MLT" "Kinase" "Q9NYL2" "ZAK" "MLTK_HUMAN" 7.96 "Kd" "Binding constant for ZAK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tchem" "Homo sapiens" +"nilotinib" 1932 "RAF proto-oncogene serine/threonine-protein kinase" "Kinase" "P04049" "RAF1" "RAF1_HUMAN" 5.41 "Kd" "Binding constant for RAF1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Ephrin type-A receptor 1" "Kinase" "P21709" "EPHA1" "EPHA1_HUMAN" 6.23 "Kd" "Binding constant for EPHA1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tchem" "Homo sapiens" +"nilotinib" 1932 "Mitogen-activated protein kinase kinase kinase kinase 1" "Kinase" "Q92918" "MAP4K1" "M4K1_HUMAN" 6.05 "Kd" "Binding constant for HPK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tchem" "Homo sapiens" +"nilotinib" 1932 "Serine/threonine-protein kinase B-raf" "Kinase" "P15056" "BRAF" "BRAF_HUMAN" 6.24 "Kd" "Binding constant for BRAF(V600E) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Tyrosine-protein kinase Fgr" "Kinase" "P09769" "FGR" "FGR_HUMAN" 6.49 "Kd" "Binding constant for FGR kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tchem" "Homo sapiens" +"nilotinib" 1932 "Tyrosine-protein kinase FRK" "Kinase" "P42685" "FRK" "FRK_HUMAN" 7.07 "Kd" "Binding constant for FRK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tchem" "Homo sapiens" +"nilotinib" 1932 "Dual specificity protein kinase CLK1" "Kinase" "P49759" "CLK1" "CLK1_HUMAN" 5.68 "Kd" "Binding constant for CLK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tchem" "Homo sapiens" +"nilotinib" 1932 "Ephrin type-A receptor 8" "Kinase" "P29322" "EPHA8" "EPHA8_HUMAN" 7.43 "Kd" "Binding constant for EPHA8 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tchem" "Homo sapiens" +"nilotinib" 1932 "Ephrin type-A receptor 2" "Kinase" "P29317" "EPHA2" "EPHA2_HUMAN" 6.64 "Kd" "Binding constant for EPHA2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Ephrin type-A receptor 3" "Kinase" "P29320" "EPHA3" "EPHA3_HUMAN" 6.96 "Kd" "Binding constant for EPHA3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tchem" "Homo sapiens" +"nilotinib" 1932 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 5.17 "Kd" "Binding constant for LOK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tchem" "Homo sapiens" +"nilotinib" 1932 "Tyrosine-protein kinase Yes" "Kinase" "P07947" "YES1" "YES_HUMAN" 5.96 "Kd" "Binding constant for YES kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Tyrosine-protein kinase CSK" "Kinase" "P41240" "CSK" "CSK_HUMAN" 5.62 "Kd" "Binding constant for CSK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tchem" "Homo sapiens" +"nilotinib" 1932 "Serine/threonine-protein kinase TAO1" "Kinase" "Q7L7X3" "TAOK1" "TAOK1_HUMAN" 5.33 "Kd" "Binding constant for TAOK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tbio" "Homo sapiens" +"nilotinib" 1932 "Serine/threonine-protein kinase TNNI3K" "Kinase" "Q59H18" "TNNI3K" "TNI3K_HUMAN" 6.44 "Kd" "Binding constant for TNNI3K kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tchem" "Homo sapiens" +"nilotinib" 1932 "Tyrosine-protein kinase HCK" "Kinase" "P08631" "HCK" "HCK_HUMAN" 6.41 "Kd" "Binding constant for HCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 7.8 "Kd" "Binding affinity to human PDGFRbeata" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma" "Kinase" "Q8TBX8" "PIP4K2C" "PI42C_HUMAN" 5.06 "Kd" "Binding constant for PIP5K2C kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tbio" "Homo sapiens" +"nilotinib" 1932 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 7.77 "Kd" "Binding affinity to human c-Kit" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Ephrin type-A receptor 6" "Kinase" "Q9UF33" "EPHA6" "EPHA6_HUMAN" 6.19 "Kd" "Binding constant for EPHA6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tchem" "Homo sapiens" +"nilotinib" 1932 "Dual specificity protein kinase CLK4" "Kinase" "Q9HAZ1" "CLK4" "CLK4_HUMAN" 5.15 "Kd" "Binding constant for CLK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tchem" "Homo sapiens" +"nilotinib" 1932 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 7 "Kd" "Binding constant for LYN kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Ephrin type-A receptor 5" "Kinase" "P54756" "EPHA5" "EPHA5_HUMAN" 5.72 "Kd" "Binding constant for EPHA5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tchem" "Homo sapiens" +"nilotinib" 1932 "Ephrin type-A receptor 4" "Kinase" "P54764" "EPHA4" "EPHA4_HUMAN" 6.48 "Kd" "Binding constant for EPHA4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tchem" "Homo sapiens" +"nilotinib" 1932 "Ephrin type-B receptor 1" "Kinase" "P54762" "EPHB1" "EPHB1_HUMAN" 5.89 "Kd" "Binding constant for EPHB1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tchem" "Homo sapiens" +"nilotinib" 1932 "NT-3 growth factor receptor" "Kinase" "Q16288" "NTRK3" "NTRK3_HUMAN" 6.22 "Kd" "Binding constant for TRKC kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 6.52 "Ki" "Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Serine/threonine-protein kinase MRCK beta" "Kinase" "Q9Y5S2" "CDC42BPB" "MRCKB_HUMAN" 6.04 "Kd" "Binding constant for MRCKB kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tbio" "Homo sapiens" +"nilotinib" 1932 "Abelson tyrosine-protein kinase 2" "Kinase" "P42684" "ABL2" "ABL2_HUMAN" 7.59 "Kd" "Binding constant for ABL2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tchem" "Homo sapiens" +"nilotinib" 1932 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 6.35 "Ki" "Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Tyrosine-protein kinase Blk" "Kinase" "P51451" "BLK" "BLK_HUMAN" 6.3 "Kd" "Binding constant for BLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tchem" "Homo sapiens" +"nilotinib" 1932 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 6 "Kd" "Binding constant for TIE2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Calcium-dependent protein kinase 1" "Kinase" "P62344" "CPK1" "CDPK1_PLAF7" 6.1 "Kd" "Binding constant for PFCDPK1(P.falciparum) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Plasmodium falciparum" +"nilotinib" 1932 "Ephrin type-B receptor 6" "Kinase" "O15197" "EPHB6" "EPHB6_HUMAN" 6.3 "Kd" "Binding constant for EPHB6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tchem" "Homo sapiens" +"nilotinib" 1932 "Mitogen-activated protein kinase 8" "Kinase" "P45983" "MAPK8" "MK08_HUMAN" 6.35 "Kd" "Binding constant for JNK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tchem" "Homo sapiens" +"nilotinib" 1932 "Serine/threonine-protein kinase TAO3" "Kinase" "Q9H2K8" "TAOK3" "TAOK3_HUMAN" 5.77 "Kd" "Binding constant for TAOK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tbio" "Homo sapiens" +"nilotinib" 1932 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.8 "Kd" "Binding constant for FYN kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Macrophage colony-stimulating factor 1 receptor" "Kinase" "P07333" "CSF1R" "CSF1R_HUMAN" 7.35 "Kd" "Binding constant for CSF1R kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Discoidin domain-containing receptor 2" "Kinase" "Q16832" "DDR2" "DDR2_HUMAN" 8.22 "Kd" "Binding affinity to wild type DDR2 (unknown origin) by FLiK assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tchem" "Homo sapiens" +"nilotinib" 1932 "Tyrosine-protein kinase receptor Tie-1" "Kinase" "P35590" "TIE1" "TIE1_HUMAN" 6 "Kd" "Binding constant for TIE1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tchem" "Homo sapiens" +"nilotinib" 1932 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 6.06 "Kd" "Binding constant for RET kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Epithelial discoidin domain-containing receptor 1" "Kinase" "Q08345" "DDR1" "DDR1_HUMAN" 8.96 "Kd" "Binding constant for DDR1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tchem" "Homo sapiens" +"nilotinib" 1932 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 7.33 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 6.35 "Ki" "Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tclin" "Homo sapiens" +"nilotinib" 1932 "BDNF/NT-3 growth factors receptor" "Kinase" "Q16620" "NTRK2" "NTRK2_HUMAN" 6.31 "Kd" "Binding constant for TRKB kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Ephrin type-B receptor 2" "Kinase" "P29323" "EPHB2" "EPHB2_HUMAN" 6.19 "Kd" "Binding constant for EPHB2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tchem" "Homo sapiens" +"nilotinib" 1932 "Mitogen-activated protein kinase 11" "Kinase" "Q15759" "MAPK11" "MK11_HUMAN" 7.44 "Kd" "Binding constant for p38-beta kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tchem" "Homo sapiens" +"nilotinib" 1932 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 5.26 "Ki" "Inhibition of human carbonic anhydrase 5A by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Ephrin type-B receptor 3" "Kinase" "P54753" "EPHB3" "EPHB3_HUMAN" 6 "Kd" "Binding constant for EPHB3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tchem" "Homo sapiens" +"nilotinib" 1932 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 6.65 "Ki" "Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 7 "Ki" "Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 7.38 "Ki" "Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 7.1 "Ki" "Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Mus musculus" +"nilotinib" 1932 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 7.53 "Ki" "Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 4.83 "Ki" "Inhibition of human carbonic anhydrase 5B by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 6.34 "Ki" "Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tclin" "Homo sapiens" +"nilotinib" 1932 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 6.34 "Kd" "Binding constant for p38-alpha kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tchem" "Homo sapiens" +"nilotinib" 1932 "Bcr/Abl fusion protein" "Kinase" "P00519|P11274" "ABL1|BCR" "ABL1_HUMAN|BCR_HUMAN" 9.47999954223633 "IC50" "Inhibition of Bcr-Abl kinase (unknown origin) after 30 mins by HTRF assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "Tclin|Tclin" "Homo sapiens" +"nilutamide" 1933 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 8.05 "IC50" "Inhibition of 1.0 nM [3H]mibolerone binding to human androgen receptor of PC3/AR cell lysate" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1274" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1274" "ANTAGONIST" "Tclin" "Homo sapiens" +"nilvadipine" 1934 "Voltage-gated L-type calcium channel" "Ion channel" "Q01668|Q13936" "CACNA1C|CACNA1D" "CAC1C_HUMAN|CAC1D_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/7898101" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"nilvadipine" 1934 "Voltage-dependent L-type calcium channel subunit alpha-1D" "Ion channel" "Q01668" "CACNA1D" "CAC1D_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"nilvadipine" 1934 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"nilvadipine" 1934 "Voltage-dependent calcium channel gamma-1 subunit" "Ion channel" "Q06432" "CACNG1" "CCG1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"nimesulide" 1935 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 4.927162125 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"nimesulide" 1935 "Interstitial collagenase" "Enzyme" "P03956" "MMP1" "MMP1_HUMAN" 4.631806122 "IC50" "DRUGMATRIX: Peptidase, Matrix Metalloproteinase-1 (MMP-1) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"nimesulide" 1935 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 5.21 "IC50" "Inhibition of ovine COX1 assessed as PGF2alpha level by EIA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL56367" "Ovis aries" +"nimesulide" 1935 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 6.4 "IC50" "Inhibition of ovine COX2 assessed as PGF2alpha level by EIA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL56367" "Ovis aries" +"nimesulide" 1935 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.42 "IC50" "Inhibition of COX1 in human whole blood assessed as inhibition of calcium ionophore A-23187-stimulated platelet aggregation by measuring TXB2 production" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL56367" "Tclin" "Homo sapiens" +"nimesulide" 1935 "Myeloperoxidase" "Enzyme" "P05164" "MPO" "PERM_HUMAN" 5.68 "IC50" "Inhibition of recombinant human myeloperoxidase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL56367" "Tchem" "Homo sapiens" +"nimesulide" 1935 "cAMP-specific 3',5'-cyclic phosphodiesterase 4A" "Enzyme" "P27815" "PDE4A" "PDE4A_HUMAN" 5.7 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nimesulide" 1935 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 5.91 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nimesulide" 1935 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 4.57 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nimesulide" 1935 "Sodium-dependent neutral amino acid transporter B(0)AT1" "Unclassified" "Q2A865" "Slc6a19" "S6A19_RAT" 4.64 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7401" "INHIBITOR" "Rattus norvegicus" +"nimodipine" 1937 "Voltage-dependent L-type calcium channel subunit alpha-1D" "Ion channel" "P27732" "Cacna1d" "CAC1D_RAT" 6.6 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2523" "GATING INHIBITOR" "Rattus norvegicus" +"nimodipine" 1937 "Voltage-dependent L-type calcium channel subunit alpha-1D" "Ion channel" "Q01668" "CACNA1D" "CAC1D_HUMAN" "UNKNOWN" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1428" "BLOCKER" "Tclin" "Homo sapiens" +"nimodipine" 1937 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" "UNKNOWN" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1428" "BLOCKER" "Tclin" "Homo sapiens" +"nimodipine" 1937 "Cannabinoid receptor 1" "GPCR" "P21554" "CNR1" "CNR1_HUMAN" 5.862962545 "Ki" "DRUGMATRIX: Cannabinoid CB1 radioligand binding (ligand: [3H] SR141716A)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"nimodipine" 1937 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"nimodipine" 1937 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 5.397940009 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"nimodipine" 1937 "Sodium/nucleoside cotransporter 1" "Transporter" "O00337" "SLC28A1" "S28A1_HUMAN" 6.363512104 "Ki" "DRUGMATRIX: Sodium/nucleoside co-transporter radioligand binding (ligand: nitrobenzylthioinosine)" "DRUG MATRIX" "=" "Tbio" "Homo sapiens" +"nimodipine" 1937 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 5.2518 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nimodipine" 1937 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.0721 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"nimodipine" 1937 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6.12 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nimodipine" 1937 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 6.8 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2523" "ANTAGONIST" "Tclin" "Homo sapiens" +"nimodipine" 1937 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" 6.41 "EC50" "Agonist activity at PXR (unknown origin) expressed in human HepG2 cells assessed as induction of CYP3A4 transactivation after 16 hrs by luciferase reporter gene assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1428" "Tchem" "Homo sapiens" +"nimodipine" 1937 "Bile acid receptor" "Nuclear hormone receptor" "Q96RI1" "NR1H4" "NR1H4_HUMAN" 5.05 "IC50" "Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1428" "Tclin" "Homo sapiens" +"nimodipine" 1937 "Adenosine receptor A2a" "GPCR" "P30543" "Adora2a" "AA2AR_RAT" 4.35 "Ki" "Displacement of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1428" "Rattus norvegicus" +"nimodipine" 1937 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 4.7 "Ki" "Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1428" "Rattus norvegicus" +"nimodipine" 1937 "Voltage-dependent calcium channel gamma-1 subunit" "Ion channel" "Q06432" "CACNG1" "CCG1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"nimodipine" 1937 "Voltage-dependent L-type calcium channel subunit alpha-1F" "Ion channel" "O60840" "CACNA1F" "CAC1F_HUMAN" 6 "IC50" "IUPHAR" "~" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2523" "GATING INHIBITOR" "Tclin" "Homo sapiens" +"nimodipine" 1937 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "P22002" "Cacna1c" "CAC1C_RAT" 6.8 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2523" "GATING INHIBITOR" "Rattus norvegicus" +"nimodipine" 1937 "Voltage-dependent L-type calcium channel subunit alpha-1S" "Ion channel" "Q13698" "CACNA1S" "CAC1S_HUMAN" 6 "IC50" "IUPHAR" "~" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2523" "GATING INHIBITOR" "Tclin" "Homo sapiens" +"nisoldipine" 1942 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q01815" "Cacna1c" "CAC1C_MOUSE" 8 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2524" "GATING INHIBITOR" "Mus musculus" +"nisoldipine" 1942 "Voltage-dependent L-type calcium channel subunit alpha-1D" "Ion channel" "Q99246" "Cacna1d" "CAC1D_MOUSE" 7 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2524" "GATING INHIBITOR" "Mus musculus" +"nisoldipine" 1942 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" 7.1 "IC50" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2524" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1726" "GATING INHIBITOR" "Tclin" "Homo sapiens" +"nisoldipine" 1942 "Voltage-dependent L-type calcium channel subunit alpha-1D" "Ion channel" "Q01668" "CACNA1D" "CAC1D_HUMAN" "UNKNOWN" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1726" "BLOCKER" "Tclin" "Homo sapiens" +"nisoldipine" 1942 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 5.64244628 "Ki" "DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"nisoldipine" 1942 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.395342028 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"nisoldipine" 1942 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"nisoldipine" 1942 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 5.3372 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nisoldipine" 1942 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.59 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1726" "Tclin|Tclin|Tclin" "Homo sapiens" +"nisoldipine" 1942 "Voltage-dependent P/Q-type calcium channel subunit alpha-1A" "Ion channel" "O00555" "CACNA1A" "CAC1A_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"nisoldipine" 1942 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.6383 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nitazoxanide" 1943 "Pyruvate dehydrogenase [NADP(+)]" "Enzyme" "Q968X7" "PFOR" "PNO_CRYPV" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00507" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1401" "INHIBITOR" "Cryptosporidium parvum" +"nitazoxanide" 1943 "Pyruvate:ferredoxin oxidoreductase" "Enzyme" "Q24982" "Q24982_GIAIN" "Mechanism of Action; CHEMBL2364027; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1401" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1401" "INHIBITOR" "Giardia intestinalis" +"nitazoxanide" 1943 "Aldose reductase" "Enzyme" "P15121" "AKR1B1" "ALDR_HUMAN" 5.09000015258789 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1401" "Tclin" "Homo sapiens" +"nitisinone" 1944 "4-hydroxyphenylpyruvate dioxygenase" "Enzyme" "P32754" "HPD" "HPPD_HUMAN" 7.398 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1337" "INHIBITOR" "Tclin" "Homo sapiens" +"nitisinone" 1944 "4-hydroxyphenylpyruvate dioxygenase" "Enzyme" "Q02110" "HPD" "HPPD_PIG" 7.4 "IC50" "Inhibition of 4-hydroxyphenylpyruvate dioxygenase of purified pig liver by enol-borate method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1337" "Sus scrofa" +"nitrazepam" 1945 "GABA-A receptor; anion channel" "Ion channel" "P08219|P08220|P10063|P10064|P20237|P22300" "GABRA1|GABRA2|GABRA3|GABRA4|GABRB1|GABRG2" "GBRA1_BOVIN|GBRA2_BOVIN|GBRA3_BOVIN|GBRA4_BOVIN|GBRB1_BOVIN|GBRG2_BOVIN" 7.42 "IC50" "Inhibition of [3H]flunitrazepam binding to GABA-A central Benzodiazepine receptor of bovine brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL13209" "Bos taurus" +"nitrazepam" 1945 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 8 "EC50" "WOMBAT-PK" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D00531" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"nitrendipine" 1947 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" "UNKNOWN" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/17276408" "BLOCKER" "Tclin" "Homo sapiens" +"nitrendipine" 1947 "Intermediate conductance calcium-activated potassium channel protein 4" "Ion channel" "O15554" "KCNN4" "KCNN4_HUMAN" 7.6 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2334" "BLOCKER" "Tchem" "Homo sapiens" +"nitrendipine" 1947 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 6.522878745 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"nitrendipine" 1947 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 5.522878745 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"nitrendipine" 1947 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 5.0555 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nitrendipine" 1947 "Transthyretin" "Secreted" "P02766" "TTR" "TTHY_HUMAN" 5.9208 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nitrendipine" 1947 "Platelet-activating factor receptor" "GPCR" "P21556" "PTAFR" "PTAFR_CAVPO" 4.13 "Ki" "Tested for inhibition of [3H]PAF binding to rabbit Platelet activating factor receptor " "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL475534" "Cavia porcellus" +"nitrendipine" 1947 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.44 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL475534" "Tclin|Tclin|Tclin" "Homo sapiens" +"nitrendipine" 1947 "Adenosine receptor A2a" "GPCR" "P30543" "Adora2a" "AA2AR_RAT" 4.64 "Ki" "Displacement of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL475534" "Rattus norvegicus" +"nitrendipine" 1947 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 5.05 "Ki" "Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL475534" "Rattus norvegicus" +"nitrendipine" 1947 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5 "IC50" "Inhibition of human Potassium channel HERG expressed in mammalian cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL475534" "Tclin" "Homo sapiens" +"nitrendipine" 1947 "Voltage-dependent L-type calcium channel subunit alpha-1D" "Ion channel" "Q01668" "CACNA1D" "CAC1D_HUMAN" 8.4 "IC50" "Recombinant Cav1.3 calcium channel complexes expressed in tsA-cells" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2334" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2334" "GATING INHIBITOR" "Tclin" "Homo sapiens" +"nitrendipine" 1947 "Voltage-dependent calcium channel gamma-1 subunit" "Ion channel" "Q06432" "CACNG1" "CCG1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"nitrendipine" 1947 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.0809 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"nitrendipine" 1947 "Voltage-dependent L-type calcium channel subunit alpha-1F" "Ion channel" "O60840" "CACNA1F" "CAC1F_HUMAN" 6 "IC50" "IUPHAR" "~" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2334" "GATING INHIBITOR" "Tclin" "Homo sapiens" +"nitrendipine" 1947 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "P22002" "Cacna1c" "CAC1C_RAT" 6 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2334" "GATING INHIBITOR" "Rattus norvegicus" +"nitrendipine" 1947 "Voltage-dependent L-type calcium channel subunit alpha-1S" "Ion channel" "Q02485" "Cacna1s" "CAC1S_RAT" 6 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2334" "GATING INHIBITOR" "Rattus norvegicus" +"nitric oxide" 1948 "Soluble guanylate cyclase" "Enzyme" "O75343|P33402|Q02108|Q02153" "GUCY1A2|GUCY1A3|GUCY1B2|GUCY1B3" "GCYA2_HUMAN|GCYA3_HUMAN|GCYB1_HUMAN|GCYB2_HUMAN" "Mechanism of Action; CHEMBL2111348; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200689" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200689" "ACTIVATOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"nitrofurantoin" 1949 "Glucose-6-phosphate 1-dehydrogenase" "Enzyme" "P11413" "G6PD" "G6PD_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"nitrofurazone" 1950 "Snake venom metalloproteinase Bap1" "Unclassified" "P83512" "VM1B1_BOTAS" 4.06 "IC50" "Inhibition of snake venom BaP1 using Abz-Ala-Gly-Leu-Ala-Nba as substrate incubated for 30 mins prior to substrate addition by fluorescence spectrophotometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL869" "Bothrops asper" +"nitrofurazone" 1950 "Glucose-6-phosphate 1-dehydrogenase" "Enzyme" "P11413" "G6PD" "G6PD_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"glyceryl trinitrate" 1952 "Soluble guanylate cyclase" "Enzyme" "O75343|P33402|Q02108|Q02153" "GUCY1A2|GUCY1A3|GUCY1B2|GUCY1B3" "GCYA2_HUMAN|GCYA3_HUMAN|GCYB1_HUMAN|GCYB2_HUMAN" "Mechanism of Action; CHEMBL2111348; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL730" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL730" "ACTIVATOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"glyceryl trinitrate" 1952 "Atrial natriuretic peptide receptor 1" "Enzyme" "P16066" "NPR1" "ANPRA_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"nitroxoline" 1954 "Methionine aminopeptidase 2" "Enzyme" "P50579" "METAP2" "MAP2_HUMAN" 7.26 "IC50" "Inhibition of human methionine aminopeptidase 2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1454910" "Tchem" "Homo sapiens" +"nitroxoline" 1954 "Cathepsin B" "Enzyme" "P07858" "CTSB" "CATB_HUMAN" 4.4 "Ki" "Mixed inhibition of cathepsin B (unknown origin) endopeptidase activity assessed as inhibition constant for enzyme-substrate-inhibitor complex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1454910" "Tchem" "Homo sapiens" +"nitroxoline" 1954 "Catechol O-methyltransferase" "Enzyme" "P22734" "Comt" "COMT_RAT" 4.7 "IC50" "Inhibition of Sprague-Dawley rat liver COMT after 10 mins using 0.05 uCi [14CH3]-SAM as substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1454910" "Rattus norvegicus" +"nitroxoline" 1954 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6 "Ki" "Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate assessed as formation of prostanoid products preincubated for 10 mins prior to substrate addition measured after 2 mins by Ellman's method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1454910" "Tclin" "Homo sapiens" +"nizatidine" 1955 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.92 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3183075" "ANTAGONIST" "Tclin" "Homo sapiens" +"nizatidine" 1955 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 5.250681179 "IC50" "DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"nomifensine" 1958 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 7.59 "Ki" "Inhibition of DAT in rat synaptosomal membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL273575" "Rattus norvegicus" +"nomifensine" 1958 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 6.06 "Ki" "Inhibition of serotonin (5-HT) uptake into rat brain synaptosomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL273575" "Rattus norvegicus" +"nomifensine" 1958 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 8.4 "Ki" "Inhibition of NET in rat synaptosomal membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL273575" "Rattus norvegicus" +"nomifensine" 1958 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 8.42 "Ki" "Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL273575" "Rattus norvegicus" +"nomifensine" 1958 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.85 "Ki" "Inhibition of human recombinant SERT expressed in HEK cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL273575" "Tclin" "Homo sapiens" +"nomifensine" 1958 "Hemoglobin HbA" "Enzyme" "P68871|P69905" "HBA1|HBB" "HBA_HUMAN|HBB_HUMAN" 4.6778 "Km" "WOMBAT-PK" "=" "Tbio|Tbio" "Homo sapiens" +"nomifensine" 1958 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 7.31 "Ki" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4792" "INHIBITOR" "Tclin" "Homo sapiens" +"nomifensine" 1958 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.57 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nomifensine" 1958 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.93 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nomifensine" 1958 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.67 "Ki" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4792" "INHIBITOR" "Tclin" "Homo sapiens" +"nomifensine" 1958 "Myeloperoxidase" "Enzyme" "P05164" "MPO" "PERM_HUMAN" 3.9626 "Km" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"nomifensine" 1958 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 2.9469 "Km" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"norelgestromin" 1959 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200807" "AGONIST" "Tclin" "Homo sapiens" +"norepinephrine" 1960 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 4.69 "Ki" "Displacement of [3H]prazosin from human adrenergic Alpha-1B receptor expressed in CHO cell membrane" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1437" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1437" "AGONIST" "Tclin" "Homo sapiens" +"norepinephrine" 1960 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 8.32 "Ki" "Tested for binding affinity against alpha-2 adrenergic receptor in rat brain using [3H]- rauwolscine as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1437" "Rattus norvegicus" +"norepinephrine" 1960 "Beta-2 adrenergic receptor" "GPCR" "Q28044" "ADRB2" "ADRB2_BOVIN" 5.22 "Ki" "Tested for binding affinity against beta-2 adrenergic receptor in bovine lung using [3H]DHA as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1437" "Bos taurus" +"norepinephrine" 1960 "Adrenergic receptor alpha" "GPCR" "P15823|P19328|P22086|P22909|P23944|P43140" "Adra1a|Adra1b|Adra1d|Adra2a|Adra2b|Adra2c" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT|ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 7.8 "IC50" "Binding affinity against Alpha adrenergic receptor using [3H]dihydroergocryptine radioligand in rat brain homogenate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1437" "Rattus norvegicus" +"norepinephrine" 1960 "Beta-2 adrenergic receptor" "GPCR" "P54833" "ADRB2" "ADRB2_CANFA" 5.3 "Ki" "Binding of [3H]dihydroalprenolol to beta-2 adrenergic receptor of rat cerebral cortical membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1437" "Canis familiaris" +"norepinephrine" 1960 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.2 "Ki" "Binding affinity for human Alpha-2C adrenergic receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1437" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1437" "AGONIST" "Tclin" "Homo sapiens" +"norepinephrine" 1960 "Adrenergic receptor beta" "GPCR" "P10608|P18090|P26255" "Adrb1|Adrb2|Adrb3" "ADRB1_RAT|ADRB2_RAT|ADRB3_RAT" 6 "IC50" "Inhibitory concentration required for displacement of Beta adrenergic receptor specific ligand [3H]dihydroalprenolol from rat brain cerebral cortical membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1437" "Rattus norvegicus" +"norepinephrine" 1960 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 4.85 "Ki" "Compound was evaluated for binding affinity towards mu-specific opiate receptor from combinatorial peptoid library" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1437" "Rattus norvegicus" +"norepinephrine" 1960 "Beta-1 adrenergic receptor" "GPCR" "P18090" "Adrb1" "ADRB1_RAT" 6.9 "Ki" "Tested for binding affinity against beta-1 adrenergic receptor in rat brain using [3H]-CGP- 26505 as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1437" "Rattus norvegicus" +"norepinephrine" 1960 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.4 "Kd" "Binding affinity to human adrenergic beta2 receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1437" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1437" "AGONIST" "Tclin" "Homo sapiens" +"norepinephrine" 1960 "Alpha-2B adrenergic receptor" "GPCR" "P19328" "Adra2b" "ADA2B_RAT" 7.11 "Ki" "Binding affinity for rat Alpha-2B adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1437" "Rattus norvegicus" +"norepinephrine" 1960 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 6.41 "Ki" "Binding affinity for alpha-1 adrenergic receptor in rat liver using [3H]prazosin." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1437" "Rattus norvegicus" +"norepinephrine" 1960 "Beta-2 adrenergic receptor" "GPCR" "P10608" "Adrb2" "ADRB2_RAT" 5.38 "Ki" "Binding affinity against adrenergic beta 2 receptor versus 1 nM [3H]dihydroalprenolol in rat cerebral cerebellar membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1437" "Rattus norvegicus" +"norepinephrine" 1960 "Beta-1 adrenergic receptor" "GPCR" "B0FL73" "ADRB1" "B0FL73_CAVPO" 6.4 "Ki" "Binding affinity against beta-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of Dihydro-[3H]-alprenolol" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1437" "Cavia porcellus" +"norepinephrine" 1960 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.4 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=505" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1437" "AGONIST" "Tclin" "Homo sapiens" +"norepinephrine" 1960 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.18 "Ki" "Binding affinity for human Alpha-2A adrenergic receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1437" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1437" "AGONIST" "Tclin" "Homo sapiens" +"norepinephrine" 1960 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 5.82 "Ki" "Binding affinity against alpha-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of [3H]- WB-4101" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1437" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1437" "AGONIST" "Tclin" "Homo sapiens" +"norepinephrine" 1960 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.480000028 "Ki" "PDSP" "Tclin" "Homo sapiens" +"norepinephrine" 1960 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.366531544 "Ki" "PDSP" "Tclin" "Homo sapiens" +"norepinephrine" 1960 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.070581074 "Ki" "PDSP" "Tclin" "Homo sapiens" +"norepinephrine" 1960 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=505" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1437" "AGONIST" "Tclin" "Homo sapiens" +"norepinephrine" 1960 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 6.35 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1437" "Bos taurus" +"norepinephrine" 1960 "Alpha-1B adrenergic receptor" "GPCR" "P18841" "ADRA1B" "ADA1B_MESAU" 6.58 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1437" "Mesocricetus auratus" +"norethisterone" 1962 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 11.2596 "ED50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1162" "AGONIST" "Tclin" "Homo sapiens" +"norethisterone" 1962 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.61780279 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"norethisterone" 1962 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 6.705533774 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"norethisterone" 1962 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 6.63638802 "Ki" "DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"norethisterone" 1962 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 8.913640169 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"norethisterone" 1962 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 7.97 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1162" "Tchem" "Homo sapiens" +"norethisterone" 1962 "Estrogen receptor" "Transcription factor" "P06211|Q62986" "Esr1|Esr2" "ESR1_RAT|ESR2_RAT" 9.2 "Kd" "Equilibrium dissociation constant for rat uterine estrogen receptor binding [3H]estradiol" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1162" "Rattus norvegicus" +"norethisterone" 1962 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 6.92 "IC50" "Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1162" "Rattus norvegicus" +"norethisterone" 1962 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 7.12 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"norethindrone acetate" 1963 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 11.2596 "ED50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1162" "AGONIST" "Tclin" "Homo sapiens" +"norethindrone acetate" 1963 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 6.53313238 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"norethindrone acetate" 1963 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 6.096910013 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"norethindrone acetate" 1963 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 7.148741651 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"norethindrone acetate" 1963 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 8.441291429 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"norethindrone acetate" 1963 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 7.12 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"norethindrone acetate" 1963 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 7.97 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1162" "Tchem" "Homo sapiens" +"norethindrone acetate" 1963 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 6.64 "Ki" "DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1162" "Tclin" "Homo sapiens" +"norethindrone acetate" 1963 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.62 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1162" "Tclin" "Homo sapiens" +"norethynodrel" 1965 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.81 "IC50" "Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1387" "Rattus norvegicus" +"norethynodrel" 1965 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" "Mechanism of Action; CHEMBL208; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1387" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1387" "AGONIST" "Tclin" "Homo sapiens" +"norfloxacin" 1967 "GABA-A receptor; anion channel" "Ion channel" "O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14" "Gabra1|Gabra2|Gabra3|Gabra4|Gabra5|Gabra6|Gabrb1|Gabrb2|Gabrb3|Gabrd|Gabre|Gabrg1|Gabrg2|Gabrg3|Gabrp|Gabrq" "GBRA1_RAT|GBRA2_RAT|GBRA3_RAT|GBRA4_RAT|GBRA5_RAT|GBRA6_RAT|GBRB1_RAT|GBRB2_RAT|GBRB3_RAT|GBRD_RAT|GBRE_RAT|GBRG1_RAT|GBRG2_RAT|GBRG3_RAT|GBRP_RAT|Q91ZM7_RAT" 7.7 "IC50" "Inhibition of [3H]muscimol binding to GABA A receptor 4-biphenylacetic acid at 10 e-4 M" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL9" "Rattus norvegicus" +"norfloxacin" 1967 "Multidrug resistance protein mdtK" "Unclassified" "P37340" "mdtK" "MDTK_ECOLI" 4.01 "Kd" "Binding affinity to Escherichia coli K-12 multidrug efflux protein YdhE expressed in Escherichia coli AG100AX in presence of 0.02% DDM surfactant by fluorescence polarization assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL9" "Escherichia coli (strain K12)" +"norfloxacin" 1967 "DNA topoisomerase 4 subunit A" "Enzyme" "P0C1U9" "parC" "PARC_STAAU" 5.46 "IC50" "Inhibition of topoisomerase 4 decatenation in Staphylococcus aureus ATCC 29213" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL9" "Staphylococcus aureus" +"norfloxacin" 1967 "DNA gyrase subunit A" "Enzyme" "P0AES4" "gyrA" "GYRA_ECOLI" 6.05 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL9" "INHIBITOR" "Escherichia coli (strain K12)" +"norfloxacin" 1967 "DNA topoisomerase 4 subunit A" "Enzyme" "P0AFI2" "parC" "PARC_ECOLI" 5.29 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL9" "INHIBITOR" "Escherichia coli (strain K12)" +"norfloxacin" 1967 "Gamma-aminobutyric acid receptor subunit alpha-1" "Ion channel" "P14867" "GABRA1" "GBRA1_HUMAN" 6.29 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"norfloxacin" 1967 "Gamma-aminobutyric acid receptor subunit alpha-5" "Ion channel" "P31644" "GABRA5" "GBRA5_HUMAN" 6.29 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"norfloxacin" 1967 "Gamma-aminobutyric acid receptor subunit alpha-3" "Ion channel" "P34903" "GABRA3" "GBRA3_HUMAN" 6.29 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"norfloxacin" 1967 "Gamma-aminobutyric acid receptor subunit alpha-2" "Ion channel" "P47869" "GABRA2" "GBRA2_HUMAN" 6.29 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"norfloxacin" 1967 "Gamma-aminobutyric acid receptor subunit alpha-4" "Ion channel" "P48169" "GABRA4" "GBRA4_HUMAN" 6.29 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"norfloxacin" 1967 "DNA topoisomerase 2-beta" "Enzyme" "Q02880" "TOP2B" "TOP2B_HUMAN" 6.22 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"norfloxacin" 1967 "Gamma-aminobutyric acid receptor subunit alpha-6" "Ion channel" "Q16445" "GABRA6" "GBRA6_HUMAN" 6.29 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"norfloxacin" 1967 "DNA gyrase subunit A" "Enzyme" "P9WG47" "gyrA" "GYRA_MYCTU" 4.28 "IC50" "Inhibition of DNA supercoiling activity of wild type Mycobacterium tuberculosis DNA gyrase A" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL9" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"norfloxacin" 1967 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 4.75 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL9" "Tchem" "Homo sapiens" +"norgestimate" 1968 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200934" "AGONIST" "Tclin" "Homo sapiens" +"nortriptyline" 1971 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.92081880569458 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"nortriptyline" 1971 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.57024772 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"nortriptyline" 1971 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.560667306 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"nortriptyline" 1971 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.065501549 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"nortriptyline" 1971 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.214670165 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"nortriptyline" 1971 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.63921731 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"nortriptyline" 1971 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.522878745 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"nortriptyline" 1971 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.910094889 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"nortriptyline" 1971 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 5.522878745 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"nortriptyline" 1971 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.943095149 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"nortriptyline" 1971 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.837435593 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"nortriptyline" 1971 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.67 "Ki" "Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells after 1.5 hrs by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL445" "Tchem" "Homo sapiens" +"nortriptyline" 1971 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 10.4 "IC50" "Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL445" "Rattus norvegicus" +"nortriptyline" 1971 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 10.3 "IC50" "Compound tested for its inhibitory activity against Histamine H1 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL445" "Rattus norvegicus" +"nortriptyline" 1971 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 8.3595 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL445" "INHIBITOR" "Tclin" "Homo sapiens" +"nortriptyline" 1971 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.34 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL445" "INHIBITOR" "Tclin" "Homo sapiens" +"nortriptyline" 1971 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.2248 "Km" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nortriptyline" 1971 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 6.0706 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"nortriptyline" 1971 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.0132 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nortriptyline" 1971 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.0757 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nortriptyline" 1971 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.301 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nortriptyline" 1971 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.9586 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nortriptyline" 1971 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.3979 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nortriptyline" 1971 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.0325 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nortriptyline" 1971 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nortriptyline" 1971 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.2596 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nortriptyline" 1971 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nortriptyline" 1971 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.3565 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nortriptyline" 1971 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.5086 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"nortriptyline" 1971 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.590066877 "Ki" "PDSP" "Tclin" "Homo sapiens" +"nortriptyline" 1971 "ATP-sensitive inward rectifier potassium channel 10" "Ion channel" "P78508" "KCNJ10" "KCJ10_HUMAN" 4.79587984085083 "IC50" "inhibition at +30 mV" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/17071817" "BLOCKER" "Tbio" "Homo sapiens" +"nortriptyline" 1971 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 5.82 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL445" "Tclin" "Homo sapiens" +"nortriptyline" 1971 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.73 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL445" "Rattus norvegicus" +"noscapine" 1973 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.087390069 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"noscapine" 1973 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 6.39761441 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"noscapine" 1973 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.59 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL364713" "Tchem" "Homo sapiens" +"noscapine" 1973 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 4.46 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL364713" "Tchem" "Homo sapiens" +"novobiocin" 1974 "ParE" "Enzyme" "Q7X1P7" "parE" "Q7X1P7_STREE" 5.69 "IC50" "Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL36506" "Streptococcus pneumoniae" +"novobiocin" 1974 "DNA gyrase subunit B" "Enzyme" "P0A4L9" "gyrB" "GYRB_STRPN" 7.43 "IC50" "Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL36506" "Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)" +"novobiocin" 1974 "DNA gyrase subunit B" "Enzyme" "P0AES6" "gyrB" "GYRB_ECOLI" 6.81 "IC50" "Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL36506" "Escherichia coli (strain K12)" +"novobiocin" 1974 "DNA gyrase subunit B" "Unclassified" "P0C559" "gyrB" "GYRB_MYCSM" 6.7 "IC50" "Inhibition of Mycobacterium smegmatis GyrB ATPase activity expressed in Escherichia coli BL21 (DE3) after 2 hrs" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL36506" "Mycobacterium smegmatis" +"novobiocin" 1974 "DNA gyrase subunit B" "Enzyme" "C3SLN2" "gyrB" "C3SLN2_ECOLX" 7.55 "Kd" "Binding affinity to Escherichia coli GyrB" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL36506" "Escherichia coli" +"novobiocin" 1974 "DNA gyrase" "Enzyme" "P0AES4|P0AES6" "gyrA|gyrB" "GYRA_ECOLI|GYRB_ECOLI" 7 "IC50" "Inhibition of reconstituted Escherichia coli DNA gyrase subunit AB assessed as reduction of DNA supercoiling activity using pBR322 DNA substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL36506" "Escherichia coli (strain K12)" +"novobiocin" 1974 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" 4.18 "IC50" "Inhibition of ABCG2 in human mitoxantrone-resistant MCF7 cells by Hoechst 33342 assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL36506" "Tchem" "Homo sapiens" +"novobiocin" 1974 "DNA gyrase" "Enzyme" "Q5HK03|Q5HK04" "gyrA|gyrB" "GYRA_STAEQ|GYRB_STAEQ" "Mechanism of Action; CHEMBL2331040; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL36506" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL36506" "INHIBITOR" "Staphylococcus epidermidis (strain ATCC 35984 / RP62A)" +"novobiocin" 1974 "DNA gyrase subunit B" "Unclassified" "P0A0K8" "gyrB" "GYRB_STAAU" 6.9 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL36506" "Staphylococcus aureus" +"buphenine" 1976 "Adrenergic receptor alpha-1" "GPCR" "P25100|P35348|P35368" "ADRA1A|ADRA1B|ADRA1D" "ADA1A_HUMAN|ADA1B_HUMAN|ADA1D_HUMAN" 6.21 "Kd" "In vitro blocking activity against alpha adrenergic receptor, isolated from rabbit aortic strip" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL114655" "Tclin|Tclin|Tclin" "Homo sapiens" +"octreotide" 1980 "Somatostatin receptor type 5" "GPCR" "P35346" "SSTR5" "SSR5_HUMAN" 8.5229 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1680" "AGONIST" "Tclin" "Homo sapiens" +"octreotide" 1980 "Somatostatin receptor type 3" "GPCR" "P32745" "SSTR3" "SSR3_HUMAN" 8.3 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1680" "AGONIST" "Tclin" "Homo sapiens" +"octreotide" 1980 "Somatostatin receptor type 2" "GPCR" "P30874" "SSTR2" "SSR2_HUMAN" 10.699 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1680" "AGONIST" "Tclin" "Homo sapiens" +"octreotide" 1980 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 7.920818754 "Ki" "PDSP" "Tclin" "Homo sapiens" +"octreotide" 1980 "Somatostatin receptor type 5" "GPCR" "P30938" "Sstr5" "SSR5_RAT" 8.98 "IC50" "Tested for inhibition of radioligand binding to cloned somatostatin receptor rSSTR5" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1680" "Rattus norvegicus" +"octreotide" 1980 "Somatostatin receptor type 1" "GPCR" "P30872" "SSTR1" "SSR1_HUMAN" 6.65 "Ki" "Displacement of [125I]-somatostatin from human sst1 receptor after 2 hrs by beta scintillation counting analysis" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1680" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1680" "AGONIST" "Tclin" "Homo sapiens" +"octreotide" 1980 "Somatostatin receptor type 3" "GPCR" "P30935" "Sstr3" "SSR3_MOUSE" 8.52 "IC50" "Tested for inhibition of radioligand binding to cloned somatostatin receptor mSSTR3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1680" "Mus musculus" +"octreotide" 1980 "Somatostatin receptor type 2" "GPCR" "P30875" "Sstr2" "SSR2_MOUSE" 9.55 "IC50" "Tested for inhibition of radioligand binding to cloned somatostatin receptor mSSTR2b" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1680" "Mus musculus" +"octreotide" 1980 "Somatostatin receptor type 4" "GPCR" "P31391" "SSTR4" "SSR4_HUMAN" 6.4 "Ki" "Displacement of [125I]-somatostatin from human sst4 receptor after 2 hrs by beta scintillation counting analysis" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1680" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1680" "AGONIST" "Tclin" "Homo sapiens" +"octreotide" 1980 "Somatostatin receptor type 2" "Unclassified" "P30680" "Sstr2" "SSR2_RAT" 8.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2055" "AGONIST" "Rattus norvegicus" +"octreotide" 1980 "Somatostatin receptor type 3" "Unclassified" "P30936" "Sstr3" "SSR3_RAT" 7.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2055" "AGONIST" "Rattus norvegicus" +"octreotide" 1980 "Somatostatin receptor type 5" "GPCR" "O08858" "Sstr5" "SSR5_MOUSE" 9.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2055" "AGONIST" "Mus musculus" +"ofloxacin" 1981 "DNA gyrase subunit B" "Enzyme" "P0AES7" "gyrB" "GYRB_ECO57" "WOMBAT-PK" "Escherichia coli O157:H7" +"ofloxacin" 1981 "Gag-Pro-Pol polyprotein" "Polyprotein" "P03362" "gag-pro-pol" "POL_HTL1A" 4.82 "IC50" "WOMBAT-PK" "=" "Human T-cell leukemia virus 1 (strain Japan ATK-1 subtype A)" +"ofloxacin" 1981 "DNA gyrase subunit A" "Enzyme" "P0AES4" "gyrA" "GYRA_ECOLI" 5.28 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL4" "INHIBITOR" "Escherichia coli (strain K12)" +"ofloxacin" 1981 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 4.41 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ofloxacin" 1981 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 4.54 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ofloxacin" 1981 "Gamma-aminobutyric acid receptor subunit alpha-2" "Ion channel" "P47869" "GABRA2" "GBRA2_HUMAN" 4.23 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ofloxacin" 1981 "Histamine H3 receptor" "GPCR" "Q9Y5N1" "HRH3" "HRH3_HUMAN" 4.55 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ofloxacin" 1981 "GABA-A receptor; anion channel" "Ion channel" "O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14" "Gabra1|Gabra2|Gabra3|Gabra4|Gabra5|Gabra6|Gabrb1|Gabrb2|Gabrb3|Gabrd|Gabre|Gabrg1|Gabrg2|Gabrg3|Gabrp|Gabrq" "GBRA1_RAT|GBRA2_RAT|GBRA3_RAT|GBRA4_RAT|GBRA5_RAT|GBRA6_RAT|GBRB1_RAT|GBRB2_RAT|GBRB3_RAT|GBRD_RAT|GBRE_RAT|GBRG1_RAT|GBRG2_RAT|GBRG3_RAT|GBRP_RAT|Q91ZM7_RAT" 4.96 "IC50" "Inhibition of [3H]muscimol binding to GABA A receptor 4-biphenylacetic acid at 10 e-4 M" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL4" "Rattus norvegicus" +"ofloxacin" 1981 "Trypsin" "Unclassified" "P00761" "TRYP_PIG" 5.03 "AC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL4" "Sus scrofa" +"ofloxacin" 1981 "CAAX prenyl protease 1" "Unclassified" "P47154" "STE24" "STE24_YEAST" 5.71 "AC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL4" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"olanzapine" 1982 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 8.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=47" "ANTAGONIST" "Rattus norvegicus" +"olanzapine" 1982 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=47" "ANTAGONIST" "Rattus norvegicus" +"olanzapine" 1982 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.7959 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tchem" "Homo sapiens" +"olanzapine" 1982 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 5.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=47" "AGONIST" "Tchem" "Homo sapiens" +"olanzapine" 1982 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.260427656 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"olanzapine" 1982 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.585026652 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"olanzapine" 1982 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.557833914 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" +"olanzapine" 1982 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.677780705 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"olanzapine" 1982 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 6.363512104 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"olanzapine" 1982 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 5.7 "Ki" "Binding affinity to rat NET" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL715" "Rattus norvegicus" +"olanzapine" 1982 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 6.02 "Ki" "Inhibition of [3H]nisoxetine binding to rat Norepinephrine transporter" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL715" "Rattus norvegicus" +"olanzapine" 1982 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.9 "Kd" "Binding affinity to 5HT1A receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL715" "Tclin" "Homo sapiens" +"olanzapine" 1982 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 7.41 "Ki" "Half-maximal inhibition of [3H]-spiperone binding to Dopamine receptor D3 in rat tissue homogenate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL715" "Rattus norvegicus" +"olanzapine" 1982 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2a|Htr2b|Htr2c" "5HT2A_RAT|5HT2B_RAT|5HT2C_RAT" 7.92 "Ki" "Binding affinity which represents concentration giving half-maximal inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor rat tissue homogenate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL715" "Rattus norvegicus" +"olanzapine" 1982 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 5.54 "Ki" "Half-maximal inhibition of [3H]clonidine binding to Alpha-2 adrenergic receptor in rat frontal cortex homogenate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL715" "Rattus norvegicus" +"olanzapine" 1982 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 7.66 "Ki" "Half-maximal inhibition of [3H]QNB binding to Muscarinic acetylcholine receptor M1 in rat frontal cortex homogenate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL715" "Rattus norvegicus" +"olanzapine" 1982 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.21 "Ki" "Displacement of [3H]8OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus by scintillation spectrometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL715" "Rattus norvegicus" +"olanzapine" 1982 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 7.7 "Ki" "Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL715" "Rattus norvegicus" +"olanzapine" 1982 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 9.52 "Ki" "Half-maximal inhibition of [3H]7-OH-DPAT binding to Histamine H1 receptor in rat tissue homogenate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL715" "Rattus norvegicus" +"olanzapine" 1982 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 7.9 "Ki" "Displacement of [3H]nemonapride from Rattus norvegicus (rat) wild type dopamine D2 receptor transfected in african green monkey COS7 cells after 1 hr by beta scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL715" "Rattus norvegicus" +"olanzapine" 1982 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 8.4 "Ki" "Half-maximal inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2A receptor in rat cerebral cortex homogenate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL715" "Rattus norvegicus" +"olanzapine" 1982 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.0969 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"olanzapine" 1982 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.9586 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"olanzapine" 1982 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.3188 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL715" "ANTAGONIST" "Tclin" "Homo sapiens" +"olanzapine" 1982 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.5229 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL715" "ANTAGONIST" "Tclin" "Homo sapiens" +"olanzapine" 1982 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 6.5086 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"olanzapine" 1982 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 6.5817 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"olanzapine" 1982 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 6.6946 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"olanzapine" 1982 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.5376 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"olanzapine" 1982 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 6.1207 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"olanzapine" 1982 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.2332 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"olanzapine" 1982 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 5.2218 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"olanzapine" 1982 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 8.0458 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"olanzapine" 1982 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.6819 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"olanzapine" 1982 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.136 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"olanzapine" 1982 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.1024 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"olanzapine" 1982 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.506 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"olanzapine" 1982 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 7.3565 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"olanzapine" 1982 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.1549 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"olanzapine" 1982 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 7.0458 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"olanzapine" 1982 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.0862 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"olanzapine" 1982 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.7212 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"olanzapine" 1982 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 6.9788 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"olanzapine" 1982 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 8.0969 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"olanzapine" 1982 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.9208 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"olanzapine" 1982 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.74 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"olanzapine" 1982 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.4915 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"olanzapine" 1982 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.3979 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"olanzapine" 1982 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 5.91649738 "Ki" "PDSP" "Tchem" "Homo sapiens" +"olanzapine" 1982 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.301029996 "Ki" "PDSP" "Tclin" "Homo sapiens" +"olanzapine" 1982 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.301029996 "Ki" "PDSP" "Tclin" "Homo sapiens" +"olanzapine" 1982 "FAD-linked sulfhydryl oxidase ALR" "Enzyme" "P55789" "GFER" "ALR_HUMAN" 6.42999982833862 "AC50" "PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL715" "Tchem" "Homo sapiens" +"olanzapine" 1982 "D(4) dopamine receptor" "GPCR" "P30729" "Drd4" "DRD4_RAT" 7.3 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL715" "Rattus norvegicus" +"olanzapine" 1982 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 8.2 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL715" "Cavia porcellus" +"olanzapine" 1982 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.19 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL715" "Rattus norvegicus" +"olmesartan medoxomil" 1985 "Type-1 angiotensin II receptor" "GPCR" "P30556" "AGTR1" "AGTR1_HUMAN" 8.1 "IC50" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=591" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1516" "ANTAGONIST" "Tclin" "Homo sapiens" +"olmesartan medoxomil" 1985 "Type-1 angiotensin II receptor" "GPCR" "P25104" "AGTR1" "AGTR1_BOVIN" 8.09 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1516" "Bos taurus" +"olopatadine" 1986 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.284 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1719" "ANTAGONIST" "Tclin" "Homo sapiens" +"olopatadine" 1986 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 7.8 "Ki" "Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1719" "Cavia porcellus" +"olprinone" 1987 "Phosphodiesterase 3" "Enzyme" "Q13370|Q14432" "PDE3A|PDE3B" "PDE3A_HUMAN|PDE3B_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/9726653" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"olsalazine" 1988 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" "Mechanism of Action; CHEMBL215; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL425" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL425" "INHIBITOR" "Tclin" "Homo sapiens" +"olsalazine" 1988 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" "Mechanism of Action; CHEMBL235; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL425" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL425" "AGONIST" "Tclin" "Homo sapiens" +"olsalazine" 1988 "Cyclooxygenase" "Enzyme" "P23219|P35354" "PTGS1|PTGS2" "PGH1_HUMAN|PGH2_HUMAN" "Mechanism of Action; CHEMBL2094253; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL425" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL425" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"omapatrilat" 1989 "Angiotensin-converting enzyme" "Enzyme" "P12822" "ACE" "ACE_RABIT" 8.3 "IC50" "In vitro inhibitory activity against Angiotensin I converting enzyme (ACE) isolated from rabbit lung extract using hippuryl-L-histidyl-L-leucine (HHL) as the substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL289556" "Oryctolagus cuniculus" +"omapatrilat" 1989 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 8.22 "Ki" "Inhibition of human somatic ACE C-terminal domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL289556" "Tclin" "Homo sapiens" +"omapatrilat" 1989 "Neprilysin" "Enzyme" "P08473" "MME" "NEP_HUMAN" 8.05 "Ki" "Inhibition of human somatic NEP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL289556" "Tclin" "Homo sapiens" +"omapatrilat" 1989 "Neprilysin" "Enzyme" "P07861" "Mme" "NEP_RAT" 8.1 "IC50" "In vitro inhibitory activity against purified rat kidney neutral endopeptidase (NEP) using a fluorometric assay with dansyl-Gly-Phe-Arg as the substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL289556" "Rattus norvegicus" +"omeprazole" 1990 "Potassium-transporting ATPase" "Enzyme" "P18597|P27112" "ATP4A|ATP4B" "ATP4A_RABIT|ATP4B_RABIT" 6.15490198135376 "IC50" "[14C]AP accumulation as an indicator of acid secretion in rabbit isolated fundic glands" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/2164086" "Oryctolagus cuniculus" +"omeprazole" 1990 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 5.301 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"omeprazole" 1990 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 4.74 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"omeprazole" 1990 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 4.3468 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"omeprazole" 1990 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 4.3098 "Km" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"omeprazole" 1990 "Potassium-transporting ATPase" "Transporter" "P20648|P51164" "ATP4A|ATP4B" "ATP4A_HUMAN|ATP4B_HUMAN" 5.7 "IC50" "In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1503" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1503" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"omeprazole" 1990 "Potassium-transporting ATPase" "Enzyme" "P18434|P19156" "ATP4A|ATP4B" "ATP4A_PIG|ATP4B_PIG" 5.42 "IC50" "In vitro inhibition against H+/K+ ATPase from porcine gastric mucosal membrane vesicles" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1503" "Sus scrofa" +"omeprazole" 1990 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 4.0506 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"omeprazole" 1990 "Fatty acid synthase" "Enzyme" "P49327" "FASN" "FAS_HUMAN" 5.46999979019165 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1503" "Tchem" "Homo sapiens" +"ondansetron" 1992 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 7.8 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46" "ANTAGONIST" "Tclin" "Homo sapiens" +"ondansetron" 1992 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.341035157 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ondansetron" 1992 "5-hydroxytryptamine receptor 3A" "Ion channel" "P35563" "Htr3a" "5HT3A_RAT" 9.11 "Ki" "Displacement of [3H]LY 278584 from 5-HT3 receptor in Sprague-Dawley rat cerebral cortex after 30 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46" "Rattus norvegicus" +"ondansetron" 1992 "Solute carrier family 22 member 3" "Transporter" "O75751" "SLC22A3" "S22A3_HUMAN" 4.76 "IC50" "Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46" "Tchem" "Homo sapiens" +"ondansetron" 1992 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2a|Htr2b|Htr2c" "5HT2A_RAT|5HT2B_RAT|5HT2C_RAT" 5 "Ki" "The binding affinity was measured on 5-hydroxytryptamine 2 receptor using [3H]- spiperone as radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46" "Rattus norvegicus" +"ondansetron" 1992 "Serotonin 3 receptor (5HT3)" "Ion channel" "P23979|Q9JHJ5" "Htr3a|Htr3b" "5HT3A_MOUSE|5HT3B_MOUSE" 7.92 "Ki" "The binding affinity was measured for 5-hydroxytryptamine 3 receptor on NG 108-15 cell line of mouse neuroblastoma-glioma cells in presence of [3H]5 radioligand (in vitro)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46" "Mus musculus" +"ondansetron" 1992 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.43 "Ki" "The binding affinity was measured on 5-hydroxytryptamine 1B receptor using [3H]- serotonin as radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46" "Rattus norvegicus" +"ondansetron" 1992 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.69 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46" "Tchem" "Homo sapiens" +"ondansetron" 1992 "5-hydroxytryptamine receptor 1D" "GPCR" "P28565" "Htr1d" "5HT1D_RAT" 4.7 "Ki" "The binding affinity was measured on 5-hydroxytryptamine 1D receptor using [3H]- serotonin as radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46" "Rattus norvegicus" +"ondansetron" 1992 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P17787|P43681" "CHRNA4|CHRNB2" "ACHA4_HUMAN|ACHB2_HUMAN" 4.34 "Ki" "In vitro Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 was determined" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46" "Tclin|Tclin" "Homo sapiens" +"ondansetron" 1992 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 6.8 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells up to 500 uM after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46" "Tchem" "Homo sapiens" +"ondansetron" 1992 "Serotonin 3 (5-HT3) receptor" "Ion channel" "P35563|Q9JJ16" "Htr3a|Htr3b" "5HT3A_RAT|5HT3B_RAT" 9.11 "Ki" "Compound was evaluated for its in vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46" "Rattus norvegicus" +"ondansetron" 1992 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 7.52 "IC50" "Inhibition of human MATE1-mediated [14]-metformin uptake expressed in HEK293 cells after 1.5 mins by scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46" "Tchem" "Homo sapiens" +"ondansetron" 1992 "Gastrin/cholecystokinin type B receptor" "GPCR" "P30553" "Cckbr" "GASR_RAT" 6.17 "Ki" "The binding affinity was measured on cholecystokinin type B receptor using [3H]- CCK-8 as radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46" "Rattus norvegicus" +"ondansetron" 1992 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 5 "Ki" "The binding affinity was measured on muscarine M1 receptor using [3H]- pirenzepine as radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46" "Rattus norvegicus" +"ondansetron" 1992 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "Q05941" "Chrna7" "ACHA7_RAT" 4.6 "IC50" "Inhibition of the response to ACh when coapplied with Nicotinic acetylcholine receptor alpha7" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46" "Rattus norvegicus" +"ondansetron" 1992 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 5.54 "Ki" "The binding affinity was measured on mu-opiate receptor using [3H]- naloxone as radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46" "Rattus norvegicus" +"ondansetron" 1992 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 5.3 "Ki" "The binding affinity was measured on 5-hydroxytryptamine 1C receptor using [3H]- serotonin as radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46" "Rattus norvegicus" +"ondansetron" 1992 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.77 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46" "Tchem" "Homo sapiens" +"ondansetron" 1992 "5-hydroxytryptamine receptor 3B" "Ion channel" "O95264" "HTR3B" "5HT3B_HUMAN" 8.3 "Ki" "GRAC: human 5-HT3B selective antagonist" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46" "Tchem" "Homo sapiens" +"ondansetron" 1992 "5-hydroxytryptamine receptor 4" "GPCR" "Q62758" "Htr4" "5HT4R_RAT" 5.92 "Ki" "The binding affinity was measured on 5-hydroxytryptamine 4 receptor using [3H]- GR-113808 as radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46" "Rattus norvegicus" +"ondansetron" 1992 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q9R0C9" "Sigmar1" "SGMR1_RAT" 6.17 "Ki" "The binding affinity was measured on sigma receptor using [3H]- (+)-3-PPP as radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46" "Rattus norvegicus" +"ondansetron" 1992 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 5.6778 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"ondansetron" 1992 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.0915 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"opipramol" 1993 "3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase" "Enzyme" "Q15125" "EBP" "EBP_HUMAN" 7.89 "Ki" "Affinity for human EMP expressed in ERG2 deficient strain of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL370753" "Tchem" "Homo sapiens" +"opipramol" 1993 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 9.7 "Ki" "Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL370753" "Tclin" "Homo sapiens" +"opipramol" 1993 "C-8 sterol isomerase" "Enzyme" "P32352" "ERG2" "ERG2_YEAST" 7.77 "Ki" "Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL370753" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"orlistat" 1996 "Monoacylglycerol lipase ABHD6" "Enzyme" "Q9BV23" "ABHD6" "ABHD6_HUMAN" 7.32000017166138 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175247" "Tchem" "Homo sapiens" +"orlistat" 1996 "Pancreatic triacylglycerol lipase" "Enzyme" "P16233" "PNLIP" "LIPP_HUMAN" 8.9 "IC50" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=5277" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/020766s035lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"orlistat" 1996 "Cannabinoid receptor 1" "GPCR" "P21554" "CNR1" "CNR1_HUMAN" 5.6 "Ki" "Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175247" "Tclin" "Homo sapiens" +"orlistat" 1996 "Fatty-acid amide hydrolase 1" "Enzyme" "P97612" "Faah" "FAAH1_RAT" 8 "IC50" "Inhibition of rat histidine tagged FAAH expressed in Escherichia coli by coumarin ester substrate fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175247" "Rattus norvegicus" +"orlistat" 1996 "Monoacylglycerol lipase ABHD12" "Enzyme" "Q8N2K0" "ABHD12" "ABD12_HUMAN" 7.1 "IC50" "Inhibition of recombinant ABHD12 transfected in HEK293T cells by SDS-PAGE using rhodamine-tagged FP probe" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175247" "Tchem" "Homo sapiens" +"orlistat" 1996 "Sn1-specific diacylglycerol lipase beta" "Enzyme" "Q8NCG7" "DAGLB" "DGLB_HUMAN" 7.22 "IC50" "Inhibition of human recombinant DAGLbeta overexpressed in african green monkey COS7 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175247" "Tchem" "Homo sapiens" +"orlistat" 1996 "Sn1-specific diacylglycerol lipase alpha" "Enzyme" "Q9Y4D2" "DAGLA" "DGLA_HUMAN" 8 "IC50" "Inhibition of human DAGLalpha expressed in HEK293T cell membrane using [14C]SAG substrate in detergent free solution by FRET assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175247" "Tchem" "Homo sapiens" +"orlistat" 1996 "Pancreatic triacylglycerol lipase" "Enzyme" "P00591" "PNLIP" "LIPP_PIG" 6.66 "IC50" "Inhibition of porcine pancreatic lipase using micellar solution of triolein as substrate preincubated for 5 mins before substrate addition measured after 30 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175247" "Sus scrofa" +"orlistat" 1996 "Abhydrolase domain-containing protein 16A" "Enzyme" "O95870" "ABHD16A" "ABHGA_HUMAN" 7.52 "IC50" "Inhibition of recombinant BAT5 transfected in HEK293T cells by SDS-PAGE using rhodamine-tagged FP probe" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175247" "Tchem" "Homo sapiens" +"orlistat" 1996 "Platelet-activating factor acetylhydrolase" "Enzyme" "Q13093" "PLA2G7" "PAFA_HUMAN" 7.3 "IC50" "Inhibition of recombinant PLA2g7 transfected in HEK293T cells by SDS-PAGE using rhodamine-tagged FP probe" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175247" "Tchem" "Homo sapiens" +"orlistat" 1996 "Gastric triacylglycerol lipase" "Enzyme" "P07098" "LIPF" "LIPG_HUMAN" "Mechanism of Action; CHEMBL1796; SINGLE PROTEIN" "CHEMBL" 1 "DRUG LABEL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175247" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/020766s035lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"orphenadrine" 1999 "Sodium channel protein type 10 subunit alpha" "Ion channel" "Q9Y5Y9" "SCN10A" "SCNAA_HUMAN" 5.2007 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL900" "BLOCKER" "Tclin" "Homo sapiens" +"orphenadrine" 1999 "Sodium channel protein type 9 subunit alpha" "Ion channel" "Q15858" "SCN9A" "SCN9A_HUMAN" 4.7645 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL900" "BLOCKER" "Tclin" "Homo sapiens" +"orphenadrine" 1999 "Sodium channel protein type 4 subunit alpha" "Ion channel" "P35499" "SCN4A" "SCN4A_HUMAN" 5.6576 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL900" "BLOCKER" "Tclin" "Homo sapiens" +"orphenadrine" 1999 "Sodium channel protein type 1 subunit alpha" "Ion channel" "P35498" "SCN1A" "SCN1A_HUMAN" 4.8894 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL900" "BLOCKER" "Tclin" "Homo sapiens" +"orphenadrine" 1999 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.9586 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL900" "ANTAGONIST" "Tclin" "Homo sapiens" +"orphenadrine" 1999 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.092051478 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"orphenadrine" 1999 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.614393726 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"orphenadrine" 1999 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.577902837 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "INHIBITOR" "Tclin" "Homo sapiens" +"orphenadrine" 1999 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.903089987 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"orphenadrine" 1999 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.66594856 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"orphenadrine" 1999 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.552841969 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"orphenadrine" 1999 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.283162277 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"orphenadrine" 1999 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.062983893 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"orphenadrine" 1999 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.164626548 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"orphenadrine" 1999 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.872895202 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"orphenadrine" 1999 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.431798276 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"orphenadrine" 1999 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.769551079 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"orphenadrine" 1999 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.698970004 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"orphenadrine" 1999 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.397940009 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"orphenadrine" 1999 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.9 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL900" "Tchem" "Homo sapiens" +"orphenadrine" 1999 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 6.79 "IC50" "Displacement of [3H]mepyramine from histamine H1 receptor in Sprague-Dawley rat brain membrane after 2 hr by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL900" "Rattus norvegicus" +"orphenadrine" 1999 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" 4.8861 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL900" "BLOCKER" "Tclin" "Homo sapiens" +"orphenadrine" 1999 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.39 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"orphenadrine" 1999 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.1739 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"orphenadrine" 1999 "Glutamate [NMDA] receptor" "Ion channel" "O15399|O60391|Q05586|Q12879|Q13224|Q14957|Q8TCU5" "GRIN1|GRIN2A|GRIN2B|GRIN2C|GRIN2D|GRIN3A|GRIN3B" "NMD3A_HUMAN|NMD3B_HUMAN|NMDE1_HUMAN|NMDE2_HUMAN|NMDE3_HUMAN|NMDE4_HUMAN|NMDZ1_HUMAN" 5.21999979019165 "Ki" "The compound was tested for its ability to block PCP N-methyl-D-aspartate glutamate receptor at the PCP (phencyclidine) binding site in postmortem human frontal cortex." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL900" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"oseltamivir" 2001 "Neuraminidase" "Enzyme" "P03468" "NA" "NRAM_I34A1" 8.15 "IC50" "Inhibition of human Influenza A virus A/PR/8/34(H1N1) neuraminidase by fluorometric method using 4MU-NeuAc substrate" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL674" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL674" "INHIBITOR" "Influenza A virus (strain A/Puerto Rico/8/1934 H1N1)" +"oseltamivir" 2001 "Neuraminidase" "Enzyme" "P03474" "NA" "NRAM_INBLE" 8.96 "Ki" "Inhibition of influenza B/Memphis/3/89 neuraminidase" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL674" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL674" "INHIBITOR" "Influenza B virus (strain B/Lee/1940)" +"oseltamivir" 2001 "Neuraminidase" "Enzyme" "C4LRQ6" "NA" "C4LRQ6_9INFA" 8.96 "Ki" "Inhibition of Influenza A virus (A/duck/Laos/25/2006(H5N1)) neuraminidase by Michaelis-Menten equation analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL674" "Influenza A virus (A/duck/Laos/25/2006(H5N1))" +"oseltamivir" 2001 "Neuraminidase" "Enzyme" "Q2LFS1" "NA" "Q2LFS1_9INFA" 8.31 "Ki" "Inhibition of Influenza A virus (A/chicken/Yogjakarta/BBVet-IX/2004(H5N1)) neuraminidase by Michaelis-Menten equation analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL674" "Influenza A virus (A/chicken/Yogjakarta/BBVet-IX/2004(H5N1))" +"oseltamivir" 2001 "Neuraminidase" "Enzyme" "A5Z252" "NA" "A5Z252_9INFA" 8.1 "Ki" "Inhibition of Influenza A virus (A/Turkey/651242/2006(H5N1)) neuraminidase by Michaelis-Menten equation analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL674" "Influenza A virus (A/Turkey/651242/2006(H5N1))" +"oseltamivir" 2001 "Neuraminidase" "Enzyme" "Q6Q793" "Q6Q793_9INFA" 10 "Ki" "Inhibition of Influenza A virus (A/Thailand/1(KAN-1)/2004(H5N1)) neuraminidase by by Michaelis-Menten equation analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL674" "Influenza A virus (A/Thailand/1(KAN-1)/2004(H5N1))" +"oseltamivir" 2001 "Neuraminidase" "Enzyme" "Q75VQ4" "NA" "NRAM_I68A0" 8.81 "IC50" "Inhibition of human influenza A virus A/Aichi/2/1968(H3N2) neuraminidase by fluorometric method using 4MU-NeuAc substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL674" "Influenza A virus (strain A/Aichi/2/1968 H3N2)" +"oseltamivir" 2001 "Neuraminidase" "Enzyme" "Q194T1" "Q194T1_9INFA" 6.1 "IC50" "Inhibition of Influenza A virus (A/RI/5+/1957(H2N2)) recombinant neuraminidase using MUNANA as substrate after 30 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL674" "Influenza A virus (A/RI/5+/1957(H2N2))" +"oseltamivir" 2001 "Neuraminidase" "Enzyme" "P06818" "NA" "NRAM_I79A0" 9.83 "IC50" "WOMBAT-PK" "=" "Influenza A virus (strain A/Bangkok/1/1979 H3N2)" +"oseltamivir" 2001 "Neuraminidase" "Enzyme" "P16207" "NA" "NRAM_INBVI" 8.1 "IC50" "WOMBAT-PK" "=" "Influenza B virus (strain B/Victoria/3/1985)" +"oseltamivir" 2001 "Neuraminidase" "Unclassified" "P03469" "NA" "NRAM_I77AB" 8.86 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL674" "Influenza A virus (strain A/USSR/90/1977 H1N1)" +"oseltamivir" 2001 "Neuraminidase" "Enzyme" "P03470" "NA" "NRAM_I33A0" 6.32 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL674" "Influenza A virus (strain A/Wilson-Smith/1933 H1N1)" +"oseltamivir" 2001 "Neuraminidase" "Enzyme" "Q20MD3" "NA" "Q20MD3_9INFA" 8.54 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL674" "Influenza A virus (A/udorn/1972(H3N2))" +"oseltamivir" 2001 "Neuraminidase" "Enzyme" "B4URF0" "NA" "B4URF0_9INFA" 10.22 "IC50" "Inhibition of Influenza Virus A/Horneburg/IDT7489/08 (H1N1) neuraminidase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL674" "Influenza A virus (A/WSN/1933(H1N1))" +"oteracil" 2002 "Uridine 5'-monophosphate synthase" "Enzyme" "P11172" "UMPS" "UMPS_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/8862723" "http://www.ncbi.nlm.nih.gov/pubmed/8862723" "INHIBITOR" "Tclin" "Homo sapiens" +"ouabain" 2004 "Sodium/potassium-transporting ATPase subunit alpha-2" "Ion channel" "D2WKD8" "ATP1A2" "AT1A2_PIG" 6.168770306 "IC50" "DRUGMATRIX: ATPase, Na+/K+ enzyme inhibition (substrate: ATP)" "DRUG MATRIX" "=" "Sus scrofa" +"ouabain" 2004 "Sodium/potassium-transporting ATPase subunit alpha-1" "Transporter" "P05023" "ATP1A1" "AT1A1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"ouabain" 2004 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.0088 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ouabain" 2004 "Signal transducer and activator of transcription 3" "Transcription factor" "P40763" "STAT3" "STAT3_HUMAN" 5.94000005722046 "IC50" "PUBCHEM_BIOASSAY: Dose response cell-based assay to measure STAT3 inhibition. (Class of assay: confirmatory) [Related pubchem assays: 920, 1317, 1265, 1308, 862 ]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL222863" "Tchem" "Homo sapiens" +"oxacillin" 2006 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" +"oxacillin" 2006 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 7.02 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"oxacillin" 2006 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 5.85 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"oxacillin" 2006 "Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A" "Enzyme" "Q9HCR9" "PDE11A" "PDE11_HUMAN" 5.04 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"oxacillin" 2006 "Penicillin-binding protein" "Enzyme" "P72355|Q53707|Q53725|Q53729|Q9XDB3" "PBP2|mecA|pbp4|pbpA|pbpF" "P72355_STAAU|Q53707_STAAU|Q53725_STAAU|Q53729_STAAU|Q9XDB3_STAAU" "Mechanism of Action; CHEMBL2362972; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL693" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL693" "INHIBITOR" "Staphylococcus aureus" +"oxametacin" 2008 "Arachidonate 5-lipoxygenase" "Enzyme" "P12527" "Alox5" "LOX5_RAT" 5.12 "IC50" "Tested for inhibition of 5-Lipoxygenase (ARBL) in calcium-stimulated rat basophilic leukemia cells(RBL-1)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL295829" "Rattus norvegicus" +"oxametacin" 2008 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.55 "IC50" "Inhibition of COX1 in human whole blood assessed as effect on A23187-induced thromboxane B2 production" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL295829" "Tclin" "Homo sapiens" +"oxametacin" 2008 "Cyclooxygenase" "Enzyme" "P35355|Q63921" "Ptgs1|Ptgs2" "PGH1_RAT|PGH2_RAT" 5.96 "IC50" "Tested for inhibition of cyclooxygenase (ARBC) in calcium-stimulated rat basophilic leukemia cells(RBL-1)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL295829" "Rattus norvegicus" +"oxandrolone" 2011 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00621" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200436" "AGONIST" "Tclin" "Homo sapiens" +"oxaprozin" 2013 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 6.067526235 "IC50" "DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1071" "INHIBITOR" "Tclin" "Homo sapiens" +"oxaprozin" 2013 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 4.44 "IC50" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7252" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1071" "INHIBITOR" "Tclin" "Homo sapiens" +"oxaprozin" 2013 "fMet-Leu-Phe receptor" "GPCR" "P21462" "FPR1" "FPR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"oxatomide" 2014 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.1304 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"oxatomide" 2014 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.699 "Ki" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/6200290" "ANTAGONIST" "Tclin" "Homo sapiens" +"oxatomide" 2014 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.2027 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"oxatomide" 2014 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.1475 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"oxatomide" 2014 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.0555 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"oxatomide" 2014 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 8.05 "IC50" "Inhibitory activity against Tritiated [3H]- mepyramine binding to Histamine H1 receptor in guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL13828" "Cavia porcellus" +"oxazepam" 2015 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRB3|GABRG2" "GBRA1_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 7.745 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL568" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"oxcarbazepine" 2017 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1068" "BLOCKER" "Tclin" "Homo sapiens" +"oxyphencyclimine" 2026 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" "Mechanism of Action; CHEMBL245; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1495" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1495" "ANTAGONIST" "Tclin" "Homo sapiens" +"oxyphencyclimine" 2026 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "Mechanism of Action; CHEMBL216; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1495" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1495" "ANTAGONIST" "Tclin" "Homo sapiens" +"oxprenolol" 2027 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.54 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL546" "Tchem" "Homo sapiens" +"oxprenolol" 2027 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 8 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL546" "ANTAGONIST" "Tclin" "Homo sapiens" +"oxprenolol" 2027 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 8.11 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL546" "ANTAGONIST" "Tclin" "Homo sapiens" +"oxprenolol" 2027 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 7.03 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL546" "Rattus norvegicus" +"oxybutynin" 2028 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.991399828 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"oxybutynin" 2028 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.589442077 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"oxybutynin" 2028 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.297569464 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"oxybutynin" 2028 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.836838625 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"oxybutynin" 2028 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 7.168130226 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"oxybutynin" 2028 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 6.22184875 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"oxybutynin" 2028 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.086027288 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"oxybutynin" 2028 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 8.09 "Ki" "Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M2 receptor expressed in Sf9 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1133" "ANTAGONIST" "Tclin" "Homo sapiens" +"oxybutynin" 2028 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 9 "Ki" "Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M1 receptor expressed in Sf9 cells" "CHEMBL" "=" 1 "DRUG LABEL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1133" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/000532/WC500040171.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"oxybutynin" 2028 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 8.23 "Ki" "Binding affinity for rat cortex muscarinic acetylcholine receptor M1 using [3H]pirenzepine" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1133" "Rattus norvegicus" +"oxybutynin" 2028 "Muscarinic acetylcholine receptor M3" "GPCR" "P08483" "Chrm3" "ACM3_RAT" 9.02 "Ki" "Affinity for rat Muscarinic acetylcholine receptor M3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1133" "Rattus norvegicus" +"oxybutynin" 2028 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 8.16 "Ki" "Affinity for rat Muscarinic acetylcholine receptor M2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1133" "Rattus norvegicus" +"oxybutynin" 2028 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 9.11 "Ki" "Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M3 receptor expressed in Sf9 cells" "CHEMBL" "=" 1 "DRUG LABEL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1133" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/000532/WC500040171.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"oxybutynin" 2028 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.44 "Ki" "Displacement of [3H]N-methylscopolamine from human muscarinic M4 receptor expressed in CHO cells after 120 mins by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1133" "Tclin" "Homo sapiens" +"oxybutynin" 2028 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.85 "Ki" "Displacement of [3H]N-methylscopolamine from human muscarinic M5 receptor expressed in CHO cells after 120 mins by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1133" "Tclin" "Homo sapiens" +"oxycodone" 2029 "Kappa-type opioid receptor" "GPCR" "P33534" "Oprk1" "OPRK_MOUSE" 4.8 "EC50" "Agonist activity at mouse KOR assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by cell based TR-FRET assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL656" "Mus musculus" +"oxycodone" 2029 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 4.8 "EC50" "Agonist activity at human KOR assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by cell based TR-FRET assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL656" "Tclin" "Homo sapiens" +"oxycodone" 2029 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.4 "EC50" "Agonist activity at human DOR assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by cell based TR-FRET assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL656" "Tclin" "Homo sapiens" +"oxycodone" 2029 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 4.12 "IC50" "Inhibition of electric eel AChE by Ellman's method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL656" "Electrophorus electricus" +"oxycodone" 2029 "Mu-type opioid receptor" "GPCR" "P42866" "Oprm1" "OPRM_MOUSE" 6.8 "EC50" "Agonist activity at mouse MOR assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by cell based TR-FRET assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL656" "Mus musculus" +"oxycodone" 2029 "Kappa-type opioid receptor" "GPCR" "P34975" "Oprk1" "OPRK_RAT" 5.58 "Ki" "Displacement of [3H]U-69593 from kappa opioid receptor of rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL656" "Rattus norvegicus" +"oxycodone" 2029 "Delta-type opioid receptor" "GPCR" "P33533" "Oprd1" "OPRD_RAT" 5.96 "Ki" "Displacement of [3H[Ile5,6]-deltorphin II from delta opioid receptor of rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL656" "Rattus norvegicus" +"oxycodone" 2029 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 7.36 "Ki" "Displacement of [3H]DAMGO from mu opioid receptor of rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL656" "Rattus norvegicus" +"oxycodone" 2029 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 7.7959 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL656" "AGONIST" "Tclin" "Homo sapiens" +"oxymetazoline" 2032 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.83000230789185 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"oxymetazoline" 2032 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 6.37889766693115 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"oxymetazoline" 2032 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.59001636505127 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"oxymetazoline" 2032 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.2 "Ki" "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=124" "http://www.ncbi.nlm.nih.gov/pubmed/20030735" "AGONIST" "Tclin" "Homo sapiens" +"oxymetazoline" 2032 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=124" "AGONIST" "Tclin" "Homo sapiens" +"oxymetazoline" 2032 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.2 "Ki" "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=124" "http://www.ncbi.nlm.nih.gov/pubmed/20030735" "AGONIST" "Tclin" "Homo sapiens" +"oxymetazoline" 2032 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 6.5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=124" "AGONIST" "Tclin" "Homo sapiens" +"oxymetazoline" 2032 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=124" "AGONIST" "Tclin" "Homo sapiens" +"oxymetazoline" 2032 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.493494968 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"oxymetazoline" 2032 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.110698297 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"oxymetazoline" 2032 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.341988603 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"oxymetazoline" 2032 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.019088062 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"oxymetazoline" 2032 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.698970004 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"oxymetazoline" 2032 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.161780778 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"oxymetazoline" 2032 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 9.041436117 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"oxymetazoline" 2032 "Alpha-2 adrenergic receptor" "GPCR" "P30545|Q01337|Q01338" "Adra2a|Adra2b|Adra2c" "ADA2A_MOUSE|ADA2B_MOUSE|ADA2C_MOUSE" 7.48 "Ki" "Compound was evaluated for inhibition of binding of [3H]MK-91 to Alpha-2 adrenergic receptor in mouse Malpha2-10H clone" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL762" "Mus musculus" +"oxymetazoline" 2032 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 8.72 "Ki" "The ability to displace [3H]clonidine from the Alpha-2 adrenergic receptor was determined in rat brain membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL762" "Rattus norvegicus" +"oxymetazoline" 2032 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 9 "Ki" "Displacement of [125I]Clonidine from adrenergic alpha2C receptor (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL762" "AGONIST" "Tclin" "Homo sapiens" +"oxymetazoline" 2032 "Alpha-2A adrenergic receptor" "GPCR" "Q28838" "ADRA2A" "ADA2A_BOVIN" 8.82 "Ki" "Compound was evaluated for inhibition of binding of [3H]MK-91 to Alpha-2 adrenergic receptor in bovine pineal" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL762" "Bos taurus" +"oxymetazoline" 2032 "Nischarin" "Membrane receptor" "Q9Y2I1" "NISCH" "NISCH_HUMAN" 8.21 "Ki" "Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL762" "Tclin" "Homo sapiens" +"oxymetazoline" 2032 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 9.52 "Ki" "Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]5-HT trifluoroacetate as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL762" "Tclin" "Homo sapiens" +"oxymetazoline" 2032 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 9.4 "Ki" "Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]5-HT trifluoroacetate as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL762" "Tclin" "Homo sapiens" +"oxymetazoline" 2032 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 9.54 "Ki" "Displacement of [125I]Clonidine from adrenergic alpha2A receptor (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL762" "AGONIST" "Tclin" "Homo sapiens" +"oxymetazoline" 2032 "Alpha-2A adrenergic receptor" "GPCR" "P18871" "ADRA2A" "ADA2A_PIG" 7.68 "Ki" "Compound was evaluated for inhibition of binding of [3H]MK-91 to Alpha-2 adrenergic receptor in porcine alpha2-clone" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL762" "Sus scrofa" +"oxymetazoline" 2032 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 7.88 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL762" "Bos taurus" +"oxymetazoline" 2032 "Alpha-1B adrenergic receptor" "GPCR" "P18841" "ADRA1B" "ADA1B_MESAU" 6.69 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL762" "Mesocricetus auratus" +"oxymetazoline" 2032 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 8.25 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL762" "Rattus norvegicus" +"oxymetazoline" 2032 "Alpha-1D adrenergic receptor" "GPCR" "P23944" "Adra1d" "ADA1D_RAT" 6.48 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL762" "Rattus norvegicus" +"oxymetazoline" 2032 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 8.19 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL762" "Rattus norvegicus" +"oxymetholone" 2033 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200585" "AGONIST" "Tclin" "Homo sapiens" +"oxymetholone" 2033 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 6.863279433 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"oxymetholone" 2033 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"oxymorphone" 2034 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 6.8297 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL963" "AGONIST" "Tclin" "Homo sapiens" +"oxymorphone" 2034 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 7.3 "Ki" "Inhibitory binding constant in guinea pig brain homogenate was reported at Opioid receptor delta 1 at a a temperature 25 degree Celsius labeled with [3H](D-Ala2-D-Leu5)-enkephalin (0.7 nM)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL963" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL963" "AGONIST" "Tclin" "Homo sapiens" +"oxymorphone" 2034 "Opioid receptors; mu and delta" "GPCR" "P32300|P42866" "Oprd1|Oprm1" "OPRD_MOUSE|OPRM_MOUSE" 8.33 "Ki" "Displacement of [3H]-DAMGO from mouse MOR/DOR expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL963" "Mus musculus" +"oxymorphone" 2034 "Kappa-type opioid receptor" "GPCR" "P41144" "OPRK1" "OPRK_CAVPO" 7.24 "Ki" "Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum homogenate by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL963" "Cavia porcellus" +"oxymorphone" 2034 "Delta-type opioid receptor" "GPCR" "P32300" "Oprd1" "OPRD_MOUSE" 6.21 "Ki" "Displacement of [3H]- diprenorphine from delta-W284E-receptor expressed in HEK 293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL963" "Mus musculus" +"oxymorphone" 2034 "Mu-type opioid receptor" "GPCR" "P42866" "Oprm1" "OPRM_MOUSE" 8.3 "Ki" "Displacement of [3H]-DAMGO from mouse MOR expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL963" "Mus musculus" +"oxymorphone" 2034 "Kappa-type opioid receptor" "GPCR" "P34975" "Oprk1" "OPRK_RAT" 7.02 "Ki" "Displacement of [3H]diprenorphine from k-E297A-receptor expressed in HEK 293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL963" "Rattus norvegicus" +"oxymorphone" 2034 "Delta-type opioid receptor" "GPCR" "P33533" "Oprd1" "OPRD_RAT" 7.09 "Ki" "Inhibition of [3H][Ile5,6]deltorphin II binding to opioid receptor delta from rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL963" "Rattus norvegicus" +"oxymorphone" 2034 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 9.01 "Ki" "Inhibition of [3H]DAMGO binding to opioid receptor mu from rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL963" "Rattus norvegicus" +"oxymorphone" 2034 "Mu-type opioid receptor" "GPCR" "P97266" "OPRM1" "OPRM_CAVPO" 9.27 "Ki" "Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain homogenate by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL963" "Cavia porcellus" +"oxymorphone" 2034 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprk1|Oprm1|Sigmar1" "OPRD_RAT|OPRK_RAT|OPRM_RAT|SGMR1_RAT" 10.89 "IC50" "Concentration for 50% inhibition of [3H]naloxone (1 M) binding to opioid receptor in rat brain membrane was determined in the absence of NaCl" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL963" "Rattus norvegicus" +"oxymorphone" 2034 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 9.4437 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL963" "AGONIST" "Tclin" "Homo sapiens" +"oxyphenbutazone" 2036 "Cyclooxygenase" "Enzyme" "P23219|P35354" "PTGS1|PTGS2" "PGH1_HUMAN|PGH2_HUMAN" "Mechanism of Action; CHEMBL2094253; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1228" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1228" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"oxyphenbutazone" 2036 "Prostacyclin synthase" "Enzyme" "Q16647" "PTGIS" "PTGIS_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"oxyphenbutazone" 2036 "fMet-Leu-Phe receptor" "GPCR" "P21462" "FPR1" "FPR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"oxyphenonium" 2039 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200906" "ANTAGONIST" "Tclin" "Homo sapiens" +"oxyphenonium" 2039 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" "Mechanism of Action; CHEMBL245; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200906" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200906" "ANTAGONIST" "Tclin" "Homo sapiens" +"oxytetracycline" 2041 "30S ribosomal protein S4" "Ribosomal protein" "P0A7V8" "rpsD" "RS4_ECOLI" "WOMBAT-PK" "Escherichia coli (strain K12)" +"oxytetracycline" 2041 "30S ribosomal protein S9" "Ribosomal protein" "P0A7X3" "rpsI" "RS9_ECOLI" "WOMBAT-PK" "Escherichia coli (strain K12)" +"oxytocin" 2042 "Oxytocin-neurophysin 1" "Secreted" "P01178" "OXT" "NEU1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"oxytocin" 2042 "Vasopressin V2 receptor" "GPCR" "P30518" "AVPR2" "V2R_HUMAN" 6.1 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"oxytocin" 2042 "Vasopressin V1b receptor" "GPCR" "P47901" "AVPR1B" "V1BR_HUMAN" 6.35 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"oxytocin" 2042 "Vasopressin V1a receptor" "GPCR" "P37288" "AVPR1A" "V1AR_HUMAN" 6.9101 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"oxytocin" 2042 "Vasopressin V2 receptor" "GPCR" "Q00788" "Avpr2" "V2R_RAT" 7.21 "Ki" "Binding affinity against Vasopressin receptor in rat liver" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL395429" "Rattus norvegicus" +"oxytocin" 2042 "Oxytocin receptor" "GPCR" "P30559" "OXTR" "OXYR_HUMAN" 9.1 "Ki" "Binding affinity for human oxytocin receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL395429" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL395429" "AGONIST" "Tclin" "Homo sapiens" +"oxytocin" 2042 "Oxytocin receptor" "GPCR" "P70536" "Oxtr" "OXYR_RAT" 9.05 "Ki" "Binding affinity against oxytocin receptor in rat uterus" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL395429" "Rattus norvegicus" +"oxytocin" 2042 "Vasopressin V1a receptor" "GPCR" "P30560" "Avpr1a" "V1AR_RAT" 6.1 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2174" "AGONIST" "Rattus norvegicus" +"ozagrel" 2043 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 7.96 "IC50" "Inhibitory activity against human thromboxane synthetase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11662" "Tchem" "Homo sapiens" +"ozagrel" 2043 "Thromboxane-A synthase" "Enzyme" "P49430" "Tbxas1" "THAS_RAT" 6.7 "IC50" "Tested in vitro against TXA2 synthetase inhibitory activity in rat platelet" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11662" "Rattus norvegicus" +"paclitaxel" 2044 "Tubulin beta" "Tumour-associated antigen" "P04350|P07437|P68371|Q13509|Q13885|Q3ZCM7|Q9BUF5|Q9BVA1|Q9H4B7" "TUBB|TUBB1|TUBB2A|TUBB2B|TUBB3|TUBB4A|TUBB4B|TUBB6|TUBB8" "TBB1_HUMAN|TBB2A_HUMAN|TBB2B_HUMAN|TBB3_HUMAN|TBB4A_HUMAN|TBB4B_HUMAN|TBB5_HUMAN|TBB6_HUMAN|TBB8_HUMAN" 8.05 "EC50" "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2770" "http://www.ncbi.nlm.nih.gov/pubmed/11309480" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"paclitaxel" 2044 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" 5.3 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2770" "AGONIST" "Tchem" "Homo sapiens" +"paclitaxel" 2044 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.829444941 "Ki" "DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"paclitaxel" 2044 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 4.621493085 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"paclitaxel" 2044 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 4.954364129 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"paclitaxel" 2044 "Cholecystokinin receptor type A" "GPCR" "P32238" "CCKAR" "CCKAR_HUMAN" 5.642827742 "Ki" "DRUGMATRIX: Cholecystokinin CCKA radioligand binding (ligand: [3H] L-364,718)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"paclitaxel" 2044 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.689944262 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"paclitaxel" 2044 "Melanocortin receptor 5" "GPCR" "P33032" "MC5R" "MC5R_HUMAN" 4.793930076 "Ki" "DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"paclitaxel" 2044 "Multidrug resistance-associated protein 7" "Transporter" "Q5T3U5" "ABCC10" "MRP7_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"paclitaxel" 2044 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"paclitaxel" 2044 "Tubulin beta chain" "Structural" "P07437" "TUBB" "TBB5_HUMAN" 8.05 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2770" "INHIBITOR" "Tclin" "Homo sapiens" +"paclitaxel" 2044 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.59 "IC50" "Inhibition of MDR1 (unknown origin) transfected in human SKOV3 cells assessed as growth inhibition after 48 hrs by SRB assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL428647" "Tchem" "Homo sapiens" +"paclitaxel" 2044 "Botulinum neurotoxin type A" "Enzyme" "P10845" "botA" "BXA1_CLOBO" 5.28 "IC50" "Inhibition of Clostridium botulinum recombinant neurotoxin A light chain using SNAPtide as substrate after 1 hr by FRET assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL428647" "Clostridium botulinum" +"paclitaxel" 2044 "Tubulin beta-3 chain" "Structural" "Q13509" "TUBB3" "TBB3_HUMAN" 8.10999965667725 "IC50" "Inhibition of beta3 tubulin overexpressed in human HeLa cells after 48 hrs by SRB assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL428647" "Tclin" "Homo sapiens" +"palmidrol" 2045 "Fatty-acid amide hydrolase 1" "Enzyme" "P97612" "Faah" "FAAH1_RAT" 5.3 "IC50" "Inhibition of rat recombinant FAAH assessed as [3H]AEA hydrolysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL417675" "Rattus norvegicus" +"palmidrol" 2045 "Cannabinoid receptor 2" "GPCR" "P34972" "CNR2" "CNR2_HUMAN" 5.301029996 "Ki" "PDSP" "Tchem" "Homo sapiens" +"palmidrol" 2045 "Cannabinoid receptor 1" "GPCR" "P21554" "CNR1" "CNR1_HUMAN" 5.301029996 "Ki" "PDSP" "Tclin" "Homo sapiens" +"palmidrol" 2045 "G-protein coupled receptor 55" "GPCR" "Q9Y2T6" "GPR55" "GPR55_HUMAN" 8.4 "EC50" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" +"palonosetron" 2046 "Serotonin 3 receptor (5HT3)" "Ion channel" "O95264|P46098" "HTR3A|HTR3B" "5HT3A_HUMAN|5HT3B_HUMAN" 9.74 "Kd" "Binding affinity to human wild type 5-HT3A/5-HT3B receptor expressed in HEK293 cells after 24 hrs by liquid scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1720" "Tchem|Tclin" "Homo sapiens" +"palonosetron" 2046 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 10.5 "Ki" "Binding affinity to 5HT3A receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1720" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1720" "ANTAGONIST" "Tclin" "Homo sapiens" +"pamabrom" 2047 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 4.99 "Ki" "Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]PIA as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL316160" "Rattus norvegicus" +"pamidronic acid" 2048 "Farnesyl pyrophosphate synthase" "Enzyme" "P14324" "FDPS" "FPPS_HUMAN" 7.25 "Ki" "Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL676" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL676" "INHIBITOR" "Tclin" "Homo sapiens" +"pamidronic acid" 2048 "Hypoxanthine-guanine phosphoribosyltransferase" "Unclassified" "Q07010" "HGPRT" "HPRT_TRYBB" 4.3 "Ki" "Inhibition of hypoxanthine-guanine phosphoribosyltransferase (TcHPRT)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL676" "Trypanosoma brucei brucei" +"pamidronic acid" 2048 "Farnesyl pyrophosphate synthase" "Enzyme" "Q0GKD7" "Q0GKD7_LEIDO" 6.72 "Ki" "Binding affinity towards Farnesyl diphosphate synthase from leishmania major" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL676" "Leishmania donovani" +"aminobenzoic acid" 2049 "Acetylcholinesterase" "Enzyme" "P37136" "Ache" "ACES_RAT" 7.45 "IC50" "Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL542" "Rattus norvegicus" +"aminobenzoic acid" 2049 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5.08 "Ki" "Inhibition of human cytosolic carbonic anhydrase 1 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL542" "Tclin" "Homo sapiens" +"aminobenzoic acid" 2049 "Dihydropteroate synthase" "Enzyme" "Q81VW8" "folP" "Q81VW8_BACAN" 5.25 "Kd" "Binding affinity to Bacillus anthracis DHPS expressed in Escherichia coli BL21 (DE3) after 30 mins by isothermal titration calorimetry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL542" "Bacillus anthracis" +"aminobenzoic acid" 2049 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.09 "Ki" "Inhibition of human cytosolic carbonic anhydrase 2 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL542" "Tclin" "Homo sapiens" +"aminosalicylic acid" 2050 "2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase" "Kinase" "P9WNC6" "folK" "HPPK_MYCTO" "WOMBAT-PK" "Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)" +"aminosalicylic acid" 2050 "Tyrosine-protein phosphatase non-receptor type 1" "Enzyme" "P18031" "PTPN1" "PTN1_HUMAN" 2.92 "Kd" "Dissociation constant for Protein-tyrosine phosphatase 1B" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1169" "Tchem" "Homo sapiens" +"aminosalicylic acid" 2050 "Cyclooxygenase" "Enzyme" "P23219|P35354" "PTGS1|PTGS2" "PGH1_HUMAN|PGH2_HUMAN" "Mechanism of Action; CHEMBL2094253; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1169" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1169" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"pancuronium" 2052 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P17787|P43681" "CHRNA4|CHRNB2" "ACHA4_HUMAN|ACHB2_HUMAN" 8.26 "IC50" "WOMBAT-PK" "=" "Tclin|Tclin" "Homo sapiens" +"pancuronium" 2052 "Acetylcholine receptor" "Ion channel" "P02708|P11230|Q07001" "CHRNA1|CHRNB1|CHRND" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN" 8.2007 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL185073" "ANTAGONIST" "Tclin|Tclin|Tclin" "Homo sapiens" +"pancuronium" 2052 "Acetylcholine receptor; alpha1/beta1/delta/gamma" "Ion channel" "P02708|P07510|P11230|Q07001" "CHRNA1|CHRNB1|CHRND|CHRNG" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN|ACHG_HUMAN" 7.09000015258789 "IC50" "GRAC: human AChR-alpha1 commonly used antagonist" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL185073" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"pantoprazole" 2054 "Potassium-transporting ATPase" "Enzyme" "P18597|P27112" "ATP4A|ATP4B" "ATP4A_RABIT|ATP4B_RABIT" 6 "IC50" "[14C]AP accumulation as an indicator of acid secretion in rabbit isolated fundic glands" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/2164086" "Oryctolagus cuniculus" +"pantoprazole" 2054 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.82 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1502" "Tchem" "Homo sapiens" +"pantoprazole" 2054 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 4.36 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells up to 500 uM after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1502" "Tchem" "Homo sapiens" +"pantoprazole" 2054 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.55 "IC50" "Inhibition of human MATE1-mediated [14]-metformin uptake expressed in polarized MDCK2 cells after 5 mins by liquid scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1502" "Tchem" "Homo sapiens" +"pantoprazole" 2054 "Indoleamine 2,3-dioxygenase 2" "Enzyme" "Q8R0V5" "Ido2" "I23O2_MOUSE" 4.9 "IC50" "Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1502" "Mus musculus" +"pantoprazole" 2054 "Potassium-transporting ATPase" "Transporter" "P20648|P51164" "ATP4A|ATP4B" "ATP4A_HUMAN|ATP4B_HUMAN" "Mechanism of Action; CHEMBL2095173; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1502" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1502" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"pantoprazole" 2054 "Sodium/potassium-transporting ATPase subunit alpha-1" "Transporter" "P05023" "ATP1A1" "AT1A1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"pantoprazole" 2054 "Fatty acid synthase" "Enzyme" "P49327" "FASN" "FAS_HUMAN" 5.3899998664856 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1502" "Tchem" "Homo sapiens" +"papaverine" 2056 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 6.118045029 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"papaverine" 2056 "cAMP-specific 3',5'-cyclic phosphodiesterase 4A" "Enzyme" "P27815" "PDE4A" "PDE4A_HUMAN" 6.087777943 "IC50" "DRUGMATRIX: Phosphodiesterase PDE4 enzyme inhibition (substrate: [3H]cAMP + cAMP)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"papaverine" 2056 "cAMP-specific 3',5'-cyclic phosphodiesterase 4B" "Enzyme" "Q07343" "PDE4B" "PDE4B_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"papaverine" 2056 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "O76074" "PDE5A" "PDE5A_HUMAN" 5.06 "IC50" "Inhibitory activity against cyclic GMP-phosphodiesterase (PDE V) isolated from porcine aorta." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19224" "Tclin" "Homo sapiens" +"papaverine" 2056 "cGMP-inhibited 3',5'-cyclic phosphodiesterase B" "Enzyme" "Q13370" "PDE3B" "PDE3B_HUMAN" 6.38 "Ki" "Inhibition of human recombinant PDE3B transfected in Sf9 cells by SPA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19224" "Tclin" "Homo sapiens" +"papaverine" 2056 "cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A" "Enzyme" "Q9QYJ6" "Pde10a" "PDE10_RAT" 7.44 "IC50" "Inhibition of rat PDE10A" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19224" "Rattus norvegicus" +"papaverine" 2056 "Phosphodiesterase 1" "Enzyme" "P14100|Q01061" "PDE1A|PDE1B" "PDE1A_BOVIN|PDE1B_BOVIN" 5.06 "IC50" "Inhibitory activity against cyclic nucleotide phosphodiesterase in bovine heart carried out at 37 C with cAMP (1 M) as substrate." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19224" "Bos taurus" +"papaverine" 2056 "Cyclic AMP-specific phosphodiesterase SSPDE4A1A" "Enzyme" "O77823" "PDE4A" "O77823_PIG" 5.77 "IC50" "Inhibition of cAMP specific phosphodiesterase from porcine coronary arteries" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19224" "Sus scrofa" +"papaverine" 2056 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 4.61 "IC50" "Inhibition of AChE activity" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19224" "Tclin" "Homo sapiens" +"papaverine" 2056 "cGMP-inhibited 3',5'-cyclic phosphodiesterase A" "Enzyme" "Q14432" "PDE3A" "PDE3A_HUMAN" 6.55 "Ki" "Inhibition of human recombinant PDE3A transfected in Sf9 cells by SPA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19224" "Tclin" "Homo sapiens" +"papaverine" 2056 "cGMP-dependent 3',5'-cyclic phosphodiesterase" "Enzyme" "O00408" "PDE2A" "PDE2A_HUMAN" 5.64 "IC50" "Inhibition of cGMP-stimulated phosphodiesterase 2 of porcine coronary arteries" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19224" "Tclin" "Homo sapiens" +"papaverine" 2056 "Phosphodiesterase 1" "Enzyme" "P54750|Q01064|Q14123" "PDE1A|PDE1B|PDE1C" "PDE1A_HUMAN|PDE1B_HUMAN|PDE1C_HUMAN" 5.05 "IC50" "Inhibition of [Ca(2+)]/calmodulin dependent phosphodiesterase PDE 1 of human lung" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19224" "Tclin|Tclin|Tclin" "Homo sapiens" +"papaverine" 2056 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.14 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19224" "Tclin" "Homo sapiens" +"papaverine" 2056 "Phosphodiesterase 1" "Enzyme" "Q01066|Q63421|Q9EPR9" "Pde1a|Pde1b|Pde1c" "PDE1B_RAT|PDE1C_RAT|Q9EPR9_RAT" 4.92 "IC50" "Inhibition of Ca-dependent phosphodiesterase from Rat cerebral cortex using 1 uM cAMP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19224" "Rattus norvegicus" +"papaverine" 2056 "Cyclic nucleotide phosphodiesterase PDE3A" "Enzyme" "Q9XSW7" "Q9XSW7_PIG" 6.21 "IC50" "Inhibition of cGMP-inhibited phosphodiesterase from porcine coronary arteries" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19224" "Sus scrofa" +"papaverine" 2056 "cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A" "Enzyme" "Q9Y233" "PDE10A" "PDE10_HUMAN" 7.77 "IC50" "Inhibition of human PDE10A expressed in Sf9 cells using [3H]cAMP by scintillation proximity assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19224" "Tclin" "Homo sapiens" +"papaverine" 2056 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 4.61 "IC50" "Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) using acetylcholine iodide as substrate by Ellman method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19224" "Electrophorus electricus" +"papaverine" 2056 "Protein-arginine deiminase type-4" "Enzyme" "Q9UM07" "PADI4" "PADI4_HUMAN" 4.40999984741211 "IC50" "PUBCHEM_BIOASSAY: Fluorescence-based biochemical dose response assay to identify inhibitors of Protein Arginine Deaminase 4 (PAD4). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463073, AID463083, AID485272, AID488796]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19224" "Tchem" "Homo sapiens" +"paramethadione" 2059 "Voltage-gated T-type calcium channel" "Ion channel" "O43497|O95180|Q9P0X4" "CACNA1G|CACNA1H|CACNA1I" "CAC1G_HUMAN|CAC1H_HUMAN|CAC1I_HUMAN" "Mechanism of Action; CHEMBL2362995; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1100" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1100" "BLOCKER" "Tclin|Tclin|Tclin" "Homo sapiens" +"parecoxib" 2063 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 8.30103015899658 "IC50" "recombinant human cyclooxygenase" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/10794682" "http://www.ncbi.nlm.nih.gov/pubmed/10794682" "INHIBITOR" "Tclin" "Homo sapiens" +"parecoxib" 2063 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 3.85387206077576 "IC50" "recombinant human cyclooxygenase" "SCIENTIFIC LITERATURE" "=" "INHIBITOR" "Tclin" "Homo sapiens" +"pargyline" 2065 "Aldehyde dehydrogenase, mitochondrial" "Enzyme" "P11884" "Aldh2" "ALDH2_RAT" 5.25 "IC50" "Inhibition of Sprague-Dawley rat mitochondrial aldehyde dehydrogenase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL673" "Rattus norvegicus" +"pargyline" 2065 "Amine oxidase [flavin-containing] A" "Enzyme" "P21396" "Maoa" "AOFA_RAT" 5.07 "Ki" "Inhibition of MAO-A in rat liver homogenate after 60 mins by Lineweaver-Burke plot" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL673" "Rattus norvegicus" +"pargyline" 2065 "Amine oxidase [flavin-containing] B" "Enzyme" "P19643" "Maob" "AOFB_RAT" 5.47 "Ki" "Inhibition of MAO-B in rat liver homogenate after 60 mins by Lineweaver-Burke plot" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL673" "Rattus norvegicus" +"pargyline" 2065 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 5.74 "Ki" "Inhibition constant against human recombinant Monoamine oxidase-B " "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL673" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL673" "INHIBITOR" "Tclin" "Homo sapiens" +"pargyline" 2065 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 5.47 "IC50" "Inhibition of MAOA (unknown origin) using kynuramine as substrate after 1 hr by fluorescence assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL673" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL673" "INHIBITOR" "Tclin" "Homo sapiens" +"paricalcitol" 2066 "Vitamin D3 receptor" "Nuclear hormone receptor" "P11473" "VDR" "VDR_HUMAN" 8.7 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200622" "AGONIST" "Tclin" "Homo sapiens" +"paroxetine" 2068 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 5.646853454 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"paroxetine" 2068 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.068313346 "Ki" "DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"paroxetine" 2068 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.455931956 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"paroxetine" 2068 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.723538196 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"paroxetine" 2068 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.420216403 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"paroxetine" 2068 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.468521083 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"paroxetine" 2068 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.050609993 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"paroxetine" 2068 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"paroxetine" 2068 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 4.96 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"paroxetine" 2068 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.3098 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"paroxetine" 2068 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.4202 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"paroxetine" 2068 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.3979 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"paroxetine" 2068 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"paroxetine" 2068 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 10.3 "Ki" "Displacement of [3H]citalopram from serotonin transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL490" "Rattus norvegicus" +"paroxetine" 2068 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 7.23 "Ki" "Displacement of [3H]nisoxetine from norepinephrine transporter in Sprague-Dawley rat frontal cortex after 1 hr by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL490" "Rattus norvegicus" +"paroxetine" 2068 "Sodium-dependent dopamine transporter" "Transporter" "Q61327" "Slc6a3" "SC6A3_MOUSE" 9.36 "Ki" "Tested in vitro for serotonin(5-HT) neuronal uptake inhibition" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL490" "Mus musculus" +"paroxetine" 2068 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 7.48 "Ki" "Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL490" "Rattus norvegicus" +"paroxetine" 2068 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 4.52 "Kd" "Binding affinity to 5HT1A receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL490" "Tclin" "Homo sapiens" +"paroxetine" 2068 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 5.27 "Ki" "Evaluated for affinity at Alpha-1 adrenergic receptor of rat brain using [3H]prazosin as radioligand in radioligand binding assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL490" "Rattus norvegicus" +"paroxetine" 2068 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 7.01 "Ki" "Displacement of [3H]WIN 35428 from dopamine transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL490" "Rattus norvegicus" +"paroxetine" 2068 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 5.2 "Ki" "Evaluated for affinity at Alpha-2 adrenergic receptor of rat brain using [3H]rauwolscine as radioligand in radioligand binding assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL490" "Rattus norvegicus" +"paroxetine" 2068 "Quinolone resistance protein NorA" "Transporter" "P0A0J7" "norA" "NORA_STAAU" 5.15 "IC50" "Inhibition of NorA in Staphylococcus aureus 1199B assessed as inhibition of ethidium bromide efflux dose response curve based fluorometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL490" "Staphylococcus aureus" +"paroxetine" 2068 "P2X purinoceptor 4" "Ion channel" "Q99571" "P2RX4" "P2RX4_HUMAN" 5.33 "IC50" "Antagonist activity at human P2X4 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx preincubated for 30 mins followed by ATP addition by Fluo-4 AM dye-based fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL490" "Tchem" "Homo sapiens" +"paroxetine" 2068 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 10.4 "Ki" "Binding inhibition towards human serotonin transporter" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL490" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL490" "INHIBITOR" "Tclin" "Homo sapiens" +"paroxetine" 2068 "Sodium-dependent noradrenaline transporter" "Transporter" "O55192" "Slc6a2" "SC6A2_MOUSE" 7.7 "Ki" "Tested in vitro for norepinephrine (NE) neuronal uptake inhibition" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL490" "Mus musculus" +"paroxetine" 2068 "Substance-P receptor" "GPCR" "P25103" "TACR1" "NK1R_HUMAN" 6.05 "IC50" "Displacement of [125I]substance P from human recombinant NK1 receptor expressed in human U373 cells after 1 hr by scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL490" "Tclin" "Homo sapiens" +"pefloxacin" 2071 "DNA gyrase subunit B" "Enzyme" "P0AES6" "gyrB" "GYRB_ECOLI" 6.7852 "IC50" "WOMBAT-PK" "=" "Escherichia coli (strain K12)" +"pefloxacin" 2071 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 4.0969 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"pefloxacin" 2071 "DNA gyrase subunit A" "Enzyme" "P0AES4" "gyrA" "GYRA_ECOLI" 6.7852 "IC50" "WOMBAT-PK" "=" "Escherichia coli (strain K12)" +"pemetrexed" 2073 "Folate receptor alpha" "Membrane receptor" "P15328" "FOLR1" "FOLR1_HUMAN" 7.38000011444092 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL225072" "Tchem" "Homo sapiens" +"pemetrexed" 2073 "Dihydrofolate reductase" "Enzyme" "P00374" "DHFR" "DYR_HUMAN" 5.1805 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL225072" "INHIBITOR" "Tclin" "Homo sapiens" +"pemetrexed" 2073 "Thymidylate synthase" "Enzyme" "P04818" "TYMS" "TYSY_HUMAN" 6.4685 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL225072" "INHIBITOR" "Tclin" "Homo sapiens" +"pemetrexed" 2073 "Folylpolyglutamate synthase, mitochondrial" "Enzyme" "Q05932" "FPGS" "FOLC_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"pemetrexed" 2073 "Dihydrofolate reductase" "Enzyme" "P00381" "folA" "DYR_LACCA" 5.64 "IC50" "Inhibitory concentration against isolated Lactobacillus casei Dihydrofolate reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL225072" "Lactobacillus casei" +"pemetrexed" 2073 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "Q07422" "DRTS_TOXGO" 6.37 "IC50" "Inhibition of Toxoplasma gondii DHFR" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL225072" "Toxoplasma gondii" +"pemetrexed" 2073 "Thymidylate synthase" "Enzyme" "C3SWJ7" "thyA" "C3SWJ7_ECOLX" 5.96 "IC50" "Inhibitory activity against Escherichia coli thymidylate synthase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL225072" "Escherichia coli" +"pemetrexed" 2073 "Thymidylate synthase" "Enzyme" "P00469" "thyA" "TYSY_LACCA" 6.26 "Ki" "Binding affinity against TS" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL225072" "Lactobacillus casei" +"pemetrexed" 2073 "Serine hydroxymethyltransferase, cytosolic" "Enzyme" "P34896" "SHMT1" "GLYC_HUMAN" 4.77 "Kd" "Binding affinity to human recombinant Serine hydroxymethyltransferase, cytosolic by isothermal titration calorimetry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL225072" "Tbio" "Homo sapiens" +"pemetrexed" 2073 "Thymidylate synthase" "Enzyme" "P45352" "Tyms" "TYSY_RAT" 4.7 "IC50" "Inhibitory concentration against isolated rat thymidylate synthase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL225072" "Rattus norvegicus" +"pemetrexed" 2073 "Dihydrofolate reductase" "Unclassified" "B0BL08" "dfrA17" "B0BL08_ECOLX" 5.64 "IC50" "Inhibitory activity against recombinant Escherichia coli dihydrofolate reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL225072" "Escherichia coli" +"pemetrexed" 2073 "Thymidylate synthase" "Enzyme" "P07607" "Tyms" "TYSY_MOUSE" 6.47 "Ki" "Compound was evaluated for competitive inhibition of recombinant mouse thymidylate synthase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL225072" "Mus musculus" +"pemetrexed" 2073 "Proton-coupled folate transporter" "Transporter" "Q96NT5" "SLC46A1" "PCFT_HUMAN" 7.03 "Ki" "Inhibition of [3H]MTX transport at human PCFT expressed in Chinese hamster R2 cells at pH 5.5 by Dixon plot" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL225072" "Tchem" "Homo sapiens" +"pemetrexed" 2073 "Dihydrofolate reductase" "Enzyme" "P00375" "Dhfr" "DYR_MOUSE" 6.25 "Ki" "Binding affinity against dihydrofolate reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL225072" "Mus musculus" +"pemetrexed" 2073 "Trifunctional purine biosynthetic protein adenosine-3" "Enzyme" "P22102" "GART" "PUR2_HUMAN" 6.42 "Ki" "Inhibition of GARFT" "CHEMBL" "=" 1 "DRUG LABEL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL225072" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2004/021462lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"pemetrexed" 2073 "Thymidylate synthase (EC 2.1.1.45) (TS) (TSase)" "Enzyme" "E2QDN0" "E2QDN0_ECOLX" 4.12 "IC50" "Inhibition of Escherichia coli TS assessed as oxidation of tetrahydrofolate to dihydrofolate after 2 to 12 mins by spectrophotometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL225072" "Escherichia coli" +"pemetrexed" 2073 "Folate transporter 1" "Unclassified" "P41440" "SLC19A1" "S19A1_HUMAN" 6.8600001335144 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL225072" "Tchem" "Homo sapiens" +"pemetrexed" 2073 "Folate receptor beta" "Membrane receptor" "P14207" "FOLR2" "FOLR2_HUMAN" 7.21999979019165 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL225072" "Tchem" "Homo sapiens" +"pemetrexed" 2073 "Trifunctional purine biosynthetic protein adenosine-3" "Unclassified" "Q64737" "Gart" "PUR2_MOUSE" 5.03 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6837" "INHIBITOR" "Mus musculus" +"pemoline" 2075 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.382789905 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"penbutolol" 2078 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 9 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1290" "ANTAGONIST" "Tclin" "Homo sapiens" +"penbutolol" 2078 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 8.8 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1290" "ANTAGONIST" "Tclin" "Homo sapiens" +"penbutolol" 2078 "Alpha-1-acid glycoprotein 1" "Secreted" "P02763" "ORM1" "A1AG1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"penbutolol" 2078 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.92 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"penbutolol" 2078 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 8.62 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1290" "Rattus norvegicus" +"penciclovir" 2079 "DNA polymerase catalytic subunit" "Enzyme" "P04293" "DPOL_HHV11" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00299" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1540" "INHIBITOR" "Human herpesvirus 1 (strain 17)" +"penciclovir" 2079 "Thymidine kinase" "Kinase" "A3RLP8" "UL23" "A3RLP8_CHV1" 4.07 "IC50" "Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1540" "Cercopithecine herpesvirus 1" +"penciclovir" 2079 "Thymidine kinase" "Kinase" "Q9QNF7" "TK" "KITH_HHV1" 4.96 "IC50" "Inhibition of recombinant HSV-1 TK assessed as [CH3-H3]dThd phosphorylation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1540" "Human herpesvirus 1" +"penfluridol" 2080 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.68214559555054 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"penfluridol" 2080 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd2|Drd3|Drd4|Drd5" "DRD1_RAT|DRD2_RAT|DRD3_RAT|DRD4_RAT|DRD5_RAT" 7.21 "IC50" "Inhibition of [3H]spiroperidol (0.5 nM) binding to dopamine receptor from rat striatal membrane." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL47050" "Rattus norvegicus" +"penicillamine" 2081 "copper" "Inorganic material" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2004/19853s012,014lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2004/19853s012,014lbl.pdf" "CHELATING AGENT" +"penicillamine" 2081 "Succinyl-diaminopimelate desuccinylase" "Enzyme" "P44514" "dapE" "DAPE_HAEIN" 4.3 "IC50" "Inhibition of Haemophilus influenzae recombinant DapE" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1430" "Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)" +"benzylpenicillin" 2082 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" +"benzylpenicillin" 2082 "Beta-lactamase TEM" "Enzyme" "P62593" "bla; blaT-3; blaT-4;" "BLAT_ECOLX" 4.7 "Ki" "Inhibition constant (Ki) for TEM-1 beta-lactamase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL29" "Escherichia coli" +"benzylpenicillin" 2082 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL29" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL29" "INHIBITOR" "Escherichia coli (strain K12)" +"phenoxymethylpenicillin" 2083 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" +"phenoxymethylpenicillin" 2083 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL615" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL615" "INHIBITOR" "Escherichia coli (strain K12)" +"pentagastrin" 2088 "Gastrin/cholecystokinin type B receptor" "GPCR" "P30553" "Cckbr" "GASR_RAT" 8.17 "IC50" "Inhibition of the specific binding of [125I](BH)-CCK-8 to Cholecystokinin type B receptor in rat brain cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1328" "Rattus norvegicus" +"pentagastrin" 2088 "Cholecystokinin receptor type A" "GPCR" "P30551" "Cckar" "CCKAR_RAT" 6.22 "IC50" "Evaluated for inhibition of cholecystokinin type A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1328" "Rattus norvegicus" +"pentagastrin" 2088 "Gastrin/cholecystokinin type B receptor" "GPCR" "P32239" "CCKBR" "GASR_HUMAN" 7.84 "Ki" "Inhibition of binding of [125I]-PD 142308 to CCK-B receptor was determined" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1328" "Tclin" "Homo sapiens" +"pentagastrin" 2088 "Gastrin/cholecystokinin type B receptor" "GPCR" "P56481" "Cckbr" "GASR_MOUSE" 9.1 "IC50" "Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1328" "Mus musculus" +"pentamidine" 2090 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.287350298 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pentamidine" 2090 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.890077393 "Ki" "DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pentamidine" 2090 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.658367664 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pentamidine" 2090 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.329754147 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pentamidine" 2090 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.765229705 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pentamidine" 2090 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.86710023 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pentamidine" 2090 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.294992041 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pentamidine" 2090 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.657577319 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pentamidine" 2090 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.683400698 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pentamidine" 2090 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.600326279 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pentamidine" 2090 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.308918508 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pentamidine" 2090 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 6.100726813 "IC50" "DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pentamidine" 2090 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.271646218 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"pentamidine" 2090 "Solute carrier family 22 member 3" "Transporter" "O75751" "SLC22A3" "S22A3_HUMAN" 5.02 "IC50" "Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL55" "Tchem" "Homo sapiens" +"pentamidine" 2090 "Protein-tyrosine phosphatase 4A3" "Enzyme" "O75365" "PTP4A3" "TP4A3_HUMAN" 4.27 "IC50" "Inhibition of human recombinant PRL-3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL55" "Tchem" "Homo sapiens" +"pentamidine" 2090 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.66 "IC50" "Inhibition of human OCT1-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL55" "Tchem" "Homo sapiens" +"pentamidine" 2090 "Trypsin-1" "Enzyme" "P07477" "PRSS1" "TRY1_HUMAN" 5.64 "Ki" "Inhibition of trypsin by amidase assay." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL55" "Tclin" "Homo sapiens" +"pentamidine" 2090 "Glutamate NMDA receptor; GRIN1/GRIN2A" "Ion channel" "Q05586|Q12879" "GRIN1|GRIN2A" "NMDE1_HUMAN|NMDZ1_HUMAN" 6.14 "IC50" "Antagonist activity at NR1/NR2A receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced current at pH 7.6 at -40mV holding potential by two-electrode voltage-clamp electrophysiology" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL55" "Tclin|Tclin" "Homo sapiens" +"pentamidine" 2090 "Acrosin" "Unclassified" "P08001" "ACR" "ACRO_PIG" 5.64 "Ki" "Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL55" "Sus scrofa" +"pentamidine" 2090 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.92 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL55" "Tchem" "Homo sapiens" +"pentamidine" 2090 "Glutamate NMDA receptor" "Ion channel" "P35439|Q00959|Q00960|Q00961|Q62645|Q8VHN2|Q9R1M7" "Grin1|Grin2a|Grin2b|Grin2c|Grin2d|Grin3a|Grin3b" "NMD3A_RAT|NMD3B_RAT|NMDE1_RAT|NMDE2_RAT|NMDE3_RAT|NMDE4_RAT|NMDZ1_RAT" 5.88 "IC50" "Inhibition of [3H]MK-801 binding to the NMDA receptor of rat hippocampal membranes, measured in buffer containing 20 mM TRIS acetate, pH 7" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL55" "Rattus norvegicus" +"pentamidine" 2090 "Amiloride-sensitive amine oxidase [copper-containing]" "Enzyme" "P19801" "AOC1" "AOC1_HUMAN" 6.54 "Ki" "Mixed type inhibition of recombinant human DAO expressed in drosophila S2 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL55" "Tchem" "Homo sapiens" +"pentamidine" 2090 "Suppressor of tumorigenicity 14 protein" "Enzyme" "Q9Y5Y6" "ST14" "ST14_HUMAN" 5.94 "Ki" "compound was tested for inhibitory activity against Matriptase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL55" "Tchem" "Homo sapiens" +"pentamidine" 2090 "Protein S100-B" "Cytosolic other" "P04271" "S100B" "S100B_HUMAN" 6 "Kd" "Binding to holo-S100B protein" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL55" "Tchem" "Homo sapiens" +"pentamidine" 2090 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 5.57 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells up to 500 uM after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL55" "Tchem" "Homo sapiens" +"pentamidine" 2090 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 6.39 "IC50" "Inhibition of human MATE1-mediated [14]-metformin uptake expressed in polarized MDCK2 cells after 5 mins by liquid scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL55" "Tchem" "Homo sapiens" +"pentamidine" 2090 "Spermidine/spermine N(1)-acetyltransferase 1" "Enzyme" "P21673" "SAT1" "SAT1_HUMAN" 5.7 "Ki" "Inhibition of human SSAT using spermidine as substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL55" "Tbio" "Homo sapiens" +"pentamidine" 2090 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 5.92 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL55" "Rattus norvegicus" +"pentetic acid" 2092 "lead" "Inorganic material" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/021749s008lbl.pdf" "CHELATING AGENT" +"pentobarbital" 2095 "Gamma-aminobutyric acid receptor subunit beta-3" "Ion channel" "P28472" "GABRB3" "GBRB3_HUMAN" 4.06 "IC50" "Displacement of [3H]R-(-)-14 from human FLAG-tagged beta3 GABA A receptor expressed in HEK293S cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL448" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL448" "POSITIVE ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"pentobarbital" 2095 "GABA-A receptor; anion channel" "Ion channel" "O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14" "Gabra1|Gabra2|Gabra3|Gabra4|Gabra5|Gabra6|Gabrb1|Gabrb2|Gabrb3|Gabrd|Gabre|Gabrg1|Gabrg2|Gabrg3|Gabrp|Gabrq" "GBRA1_RAT|GBRA2_RAT|GBRA3_RAT|GBRA4_RAT|GBRA5_RAT|GBRA6_RAT|GBRB1_RAT|GBRB2_RAT|GBRB3_RAT|GBRD_RAT|GBRE_RAT|GBRG1_RAT|GBRG2_RAT|GBRG3_RAT|GBRP_RAT|Q91ZM7_RAT" 5.77 "IC50" "Ability to allosterically modulate the binding of [35S]TBPS to gamma-aminobutyric-acid A receptor in rat brain cortical P2 membranes." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL448" "Rattus norvegicus" +"pentobarbital" 2095 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 4.301 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL448" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"pentobarbital" 2095 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 2.5528 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"pentobarbital" 2095 "GABA A receptor alpha-2/beta-2/gamma-2" "Ion channel" "P18507|P47869|P47870" "GABRA2|GABRB2|GABRG2" "GBRA2_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 4.30000019073486 "EC50" "Effective concentration against GABA-evoked chloride currents mediated by human Gamma-aminobutyric acid GABA-A receptor alpha2-beta2-gamma2L expressed in Xenopus oocytes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL448" "Tclin|Tclin|Tclin" "Homo sapiens" +"pentolonium" 2096 "Neuronal acetylcholine receptor; alpha3/beta4" "Ion channel" "P30926|P32297" "CHRNA3|CHRNB4" "ACHA3_HUMAN|ACHB4_HUMAN" "Mechanism of Action; CHEMBL1907594; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1271" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1271" "ANTAGONIST" "Tclin|Tclin" "Homo sapiens" +"pentolonium" 2096 "Neuronal acetylcholine receptor subunit alpha-10" "Ion channel" "Q9GZZ6" "CHRNA10" "ACH10_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"pentostatin" 2098 "Adenosine deaminase" "Enzyme" "P00813" "ADA" "ADA_HUMAN" 10.8 "IC50" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4805" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1580" "INHIBITOR" "Tclin" "Homo sapiens" +"pentostatin" 2098 "Adenosine deaminase" "Enzyme" "P56658" "ADA" "ADA_BOVIN" 11 "Ki" "Binding affinity against Adenosine deaminase from calf intestinal mucosa was determined" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1580" "Bos taurus" +"pentoxifylline" 2099 "cAMP-specific 3',5'-cyclic phosphodiesterase 4B" "Enzyme" "Q07343" "PDE4B" "PDE4B_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL628" "INHIBITOR" "Tclin" "Homo sapiens" +"pentoxifylline" 2099 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "O76074" "PDE5A" "PDE5A_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00806" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL628" "INHIBITOR" "Tclin" "Homo sapiens" +"pentoxifylline" 2099 "Adenosine receptor A2b" "GPCR" "P29275" "ADORA2B" "AA2BR_HUMAN" 5.29 "Ki" "Binding affinity at human Adenosine A2B receptor expressed in HEK293 cells, using [125I]ABOPX as radioligand" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL628" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL628" "ANTAGONIST" "Tclin" "Homo sapiens" +"pentoxifylline" 2099 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 5.18 "IC50" "Inhibition of human AChE using acetylthiocholine iodide as substrate treated 5 mins before substrate addition measured up to 4 mins by Ellman's method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL628" "Tclin" "Homo sapiens" +"pergolide" 2105 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=48" "AGONIST" "Rattus norvegicus" +"pergolide" 2105 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.46999979019165 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/20600305" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2003/19385slr030,031,035_permax_lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"pergolide" 2105 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.25 "Ki" "WOMBAT-PK" "=" "AGONIST" "Tchem" "Homo sapiens" +"pergolide" 2105 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 6.76 "Ki" "WOMBAT-PK" "=" "AGONIST" "Tchem" "Homo sapiens" +"pergolide" 2105 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.698970004 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pergolide" 2105 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.128427064 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pergolide" 2105 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 5.838033384 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"pergolide" 2105 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 7.397940009 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"pergolide" 2105 "Dopamine receptor" "GPCR" "P20288|Q95136" "DRD1|DRD2" "DRD1_BOVIN|DRD2_BOVIN" 7.74 "IC50" "In vitro inhibitory activity against dopamine receptor from calf caudate using [3H]dopamine as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL531" "Bos taurus" +"pergolide" 2105 "D(2) dopamine receptor" "GPCR" "P20288" "DRD2" "DRD2_BOVIN" 7.32 "IC50" "Inhibitory activity against Dopamine receptor D2 in calf corpus striatum using [3H]spiperone as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL531" "Bos taurus" +"pergolide" 2105 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 8.62 "IC50" "Displacement of [3H]nemonapride from Rattus norvegicus (rat) chimeric dopamine D3 trunk/D3 tail receptor transfected in african green monkey COS7 cells after 1 hr by beta scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL531" "Rattus norvegicus" +"pergolide" 2105 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd2|Drd3|Drd4|Drd5" "DRD1_RAT|DRD2_RAT|DRD3_RAT|DRD4_RAT|DRD5_RAT" 8.51 "IC50" "In vitro affinity for dopamine receptor by displacement of [3H]- apomorphine in rat striatal membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL531" "Rattus norvegicus" +"pergolide" 2105 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 7.39 "IC50" "Alpha-2 adrenergic receptor activity assessed in vitro for displacement of [3H]clonidine from specific binding sites on rat striatal membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL531" "Rattus norvegicus" +"pergolide" 2105 "Cerebral cortex alpha adrenergic receptor" "GPCR" "P18130|Q28838" "ADRA1A|ADRA2A" "ADA1A_BOVIN|ADA2A_BOVIN" 7.39 "IC50" "In vitro affinity for alpha adrenergic receptor by displacement of 3[H]clonidine in calf cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL531" "Bos taurus" +"pergolide" 2105 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.92 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL531" "Tclin" "Homo sapiens" +"pergolide" 2105 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 8.4 "Kd" "In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL531" "Rattus norvegicus" +"pergolide" 2105 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9 "EC50" "WOMBAT-PK" "=" "AGONIST" "Tclin" "Homo sapiens" +"pergolide" 2105 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.3 "EC50" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2003/19385slr030,031,035_permax_lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"pergolide" 2105 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.2 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"pergolide" 2105 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 7.9 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"pergolide" 2105 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.6 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"pergolide" 2105 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.5 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"pergolide" 2105 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.5 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"pergolide" 2105 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.2 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"pergolide" 2105 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.1 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"pergolide" 2105 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.5 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"pergolide" 2105 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.3 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"pergolide" 2105 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 6.16 "Ki" "PDSP" "Tclin" "Homo sapiens" +"pergolide" 2105 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 5.98 "Ki" "PDSP" "Tclin" "Homo sapiens" +"pergolide" 2105 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 7.82 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL531" "Rattus norvegicus" +"pergolide" 2105 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 5.71 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL531" "Rattus norvegicus" +"pergolide" 2105 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 7.5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=48" "AGONIST" "Rattus norvegicus" +"perhexiline" 2106 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 5.961618309 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"perhexiline" 2106 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.485850866 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"perhexiline" 2106 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.185219854 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"perhexiline" 2106 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.179798541 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"perhexiline" 2106 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.300248968 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"perhexiline" 2106 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.104909103 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"perhexiline" 2106 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.026502691 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"perhexiline" 2106 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.828215059 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"perhexiline" 2106 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.391046301 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"perhexiline" 2106 "Carnitine palmitoyltransferase 2" "Unclassified" "P18886" "Cpt2" "CPT2_RAT" 4.1 "IC50" "Inhibition of CPT2 in rat mitochondria using [3H]carnitine by radiometric method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL75880" "Rattus norvegicus" +"perhexiline" 2106 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.11 "IC50" "Inhibition of human Potassium channel HERG expressed in mammalian cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL75880" "Tclin" "Homo sapiens" +"perhexiline" 2106 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 6.7 "Kd" "Alpha adrenergic receptor activity in rat aorta" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL75880" "Rattus norvegicus" +"perhexiline" 2106 "Carnitine palmitoyltransferase 1A" "Unclassified" "P32198" "Cpt1a" "CPT1A_RAT" 4.11 "IC50" "Inhibition of CPT1 in rat cardiac mitochondria using [3H]carnitine by radiometric method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL75880" "Rattus norvegicus" +"perhexiline" 2106 "Carnitine O-palmitoyltransferase 2, mitochondrial" "Enzyme" "P23786" "CPT2" "CPT2_HUMAN" 4.14 "IC50" "Inhibition of human CPT2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL75880" "Tchem" "Homo sapiens" +"perhexiline" 2106 "Carnitine O-palmitoyltransferase 1, liver isoform" "Enzyme" "P50416" "CPT1A" "CPT1A_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"perhexiline" 2106 "Voltage-dependent T-type calcium channel subunit alpha-1I" "Ion channel" "Q9P0X4" "CACNA1I" "CAC1I_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"perhexiline" 2106 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 5.3565 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"perhexiline" 2106 "Voltage-dependent T-type calcium channel subunit alpha-1G" "Ion channel" "O43497" "CACNA1G" "CAC1G_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"periciazine" 2107 "Acetylcholinesterase" "Enzyme" "P23795" "ACHE" "ACES_BOVIN" 5.15 "IC50" "Inhibition of bovine erythrocyte AChE using acetylthiocholine iodide as a substrate after 20 mins by Ellman's assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL251940" "Bos taurus" +"periciazine" 2107 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.52 "Ki" "Displacement of [3H]mibolerone from rat androgen receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL251940" "Rattus norvegicus" +"periciazine" 2107 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 6.64 "IC50" "Inhibition of Equine serum BChE using butyrylthiocholine iodide as a substrate after 20 mins by Ellman's assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL251940" "Equus caballus" +"perindopril" 2108 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 8.82 "IC50" "Inhibition of ACE (unknown origin)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1581" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1581" "INHIBITOR" "Tclin" "Homo sapiens" +"perlapine" 2111 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.82390880584717 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"perlapine" 2111 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"perlapine" 2111 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.7044677734375 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"perlapine" 2111 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.52287864685059 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"perlapine" 2111 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.22184896469116 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"perlapine" 2111 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 5.57 "IC50" "Inhibition of spiropiperidone binding at dopamine receptor D2 of rat." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL340801" "Rattus norvegicus" +"perlapine" 2111 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 5.32 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL340801" "Tchem" "Homo sapiens" +"perospirone" 2112 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.22 "Ki" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7556" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7556" "ANTAGONIST" "Tclin" "Homo sapiens" +"perospirone" 2112 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.55 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7556" "ANTAGONIST" "Tclin" "Homo sapiens" +"perospirone" 2112 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 10.05 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7556" "ANTAGONIST" "Tchem" "Homo sapiens" +"perospirone" 2112 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 4.74 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7556" "ANTAGONIST" "Rattus norvegicus" +"perphenazine" 2113 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.73329782485962 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"perphenazine" 2113 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.461665093 "Ki" "DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"perphenazine" 2113 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.32 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL567" "ANTAGONIST" "Tclin" "Homo sapiens" +"perphenazine" 2113 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.5882 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"perphenazine" 2113 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.0696 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"perphenazine" 2113 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 7.4815 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"perphenazine" 2113 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.0881 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"perphenazine" 2113 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.5211 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"perphenazine" 2113 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.9792 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"perphenazine" 2113 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"perphenazine" 2113 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 7.6383 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"perphenazine" 2113 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.55 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"perphenazine" 2113 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.8794 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"perphenazine" 2113 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.2518 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"perphenazine" 2113 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.07 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"perphenazine" 2113 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.19 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"perphenazine" 2113 "Pleiotropic ABC efflux transporter of multiple drugs" "Transporter" "P33302" "PDR5" "PDR5_YEAST" 5.85 "IC50" "Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL567" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"perphenazine" 2113 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 7.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=209" "ANTAGONIST" "Rattus norvegicus" +"perphenazine" 2113 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 7.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=209" "ANTAGONIST" "Rattus norvegicus" +"phenacemide" 2114 "Sodium channel protein type 1 subunit alpha" "Ion channel" "P35498" "SCN1A" "SCN1A_HUMAN" "WOMBAT-PK" "BLOCKER" "Tclin" "Homo sapiens" +"phenacetin" 2115 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"phenazocine" 2119 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 8.7 "Ki" "Displacement of [3H]U69593 form human kappa opioid receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46399" "Tclin" "Homo sapiens" +"phenazocine" 2119 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 8.3 "Ki" "Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46399" "Tclin" "Homo sapiens" +"phenazocine" 2119 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 9.7 "Ki" "Displacement of [3H]DAMGO form human mu opioid receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46399" "Tclin" "Homo sapiens" +"phenazocine" 2119 "Mu-type opioid receptor" "GPCR" "P97266" "OPRM1" "OPRM_CAVPO" 8.01 "IC50" "Ability to induce 50% of maximal effect in guinea pig ileum expressing Opioid receptor mu 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46399" "Cavia porcellus" +"phenazocine" 2119 "Mu-type opioid receptor" "GPCR" "P42866" "Oprm1" "OPRM_MOUSE" 8.1 "IC50" "Ability to induce 50% of maximal effect in mouse vas deferens expressing Opioid receptor delta 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46399" "Mus musculus" +"phenazopyridine" 2120 "Snake venom metalloproteinase Bap1" "Unclassified" "P83512" "VM1B1_BOTAS" 4.27 "IC50" "Inhibition of snake venom BaP1 using Abz-Ala-Gly-Leu-Ala-Nba as substrate incubated for 30 mins prior to substrate addition by fluorescence spectrophotometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1242" "Bothrops asper" +"phenazopyridine" 2120 "Sodium channel alpha subunit" "Ion channel" "P35498|P35499|Q01118|Q14524|Q15858|Q99250|Q9NY46|Q9UI33|Q9UQD0|Q9Y5Y9" "SCN10A|SCN11A|SCN1A|SCN2A|SCN3A|SCN4A|SCN5A|SCN7A|SCN8A|SCN9A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN|SCN4A_HUMAN|SCN5A_HUMAN|SCN7A_HUMAN|SCN8A_HUMAN|SCN9A_HUMAN|SCNAA_HUMAN|SCNBA_HUMAN" "Mechanism of Action; CHEMBL2331043; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1242" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1242" "BLOCKER" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"phencyclidine" 2121 "Glutamate receptor ionotropic, NMDA 1" "Ion channel" "P35439" "Grin1" "NMDZ1_RAT" 7.28 "Ki" "Binding affinity by displacement of [3H]TCP from PCP N-methyl-D-aspartate glutamate receptor of tissue homogenate preparation of rat brain without cerebellum (in vitro)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL275528" "Rattus norvegicus" +"phencyclidine" 2121 "Lysosomal Pro-X carboxypeptidase" "Enzyme" "P42785" "PRCP" "PCP_HUMAN" 7.04 "IC50" "Inhibition of [3H]-TCP binding to PCP receptor obtained from tissue homogenate preparation of fresh whole rat brain minus cerebellum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL275528" "Tchem" "Homo sapiens" +"phencyclidine" 2121 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 5.96 "Ki" "Compound was evaluated for its ability to displace [3H](+)-pentazocine from sigma receptor in Guinea pig brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL275528" "Tclin" "Homo sapiens" +"phencyclidine" 2121 "Muscarinic acetylcholine receptor" "GPCR" "P12657|P32211|Q920H4|Q9ERZ3|Q9ERZ4" "Chrm1|Chrm2|Chrm3|Chrm4|Chrm5" "ACM1_MOUSE|ACM2_MOUSE|ACM3_MOUSE|ACM4_MOUSE|ACM5_MOUSE" 5.04 "Kd" "Dissociation constant towards Muscarinic acetylcholine receptor was determined by using [3H]4NMPB as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL275528" "Mus musculus" +"phencyclidine" 2121 "Glutamate receptor ionotropic, NMDA 2C" "Ion channel" "Q00961" "Grin2c" "NMDE3_RAT" 7.22 "Ki" "Binding affinity against phencyclidine receptor was determined by the displacement of [3H]TCP of whole rat brain minus cerebellum." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL275528" "Rattus norvegicus" +"phencyclidine" 2121 "Cholinesterase" "Enzyme" "Q03311" "Bche" "CHLE_MOUSE" 6.28 "Ki" "Compound was evaluated for the protection of butyrylcholinesterase against DFT in mice" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL275528" "Mus musculus" +"phencyclidine" 2121 "Glutamate NMDA receptor; GRIN1/GRIN2B" "Ion channel" "Q05586|Q13224" "GRIN1|GRIN2B" "NMDE2_HUMAN|NMDZ1_HUMAN" 5.9 "IC50" "Inhibition of human recombinant NR1/NR2B receptor expressed in U2OS assessed as change in intracellular calcium level by FLIPR assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL275528" "Tclin|Tclin" "Homo sapiens" +"phencyclidine" 2121 "Glutamate NMDA receptor; GRIN1/GRIN2A" "Ion channel" "Q05586|Q12879" "GRIN1|GRIN2A" "NMDE1_HUMAN|NMDZ1_HUMAN" 6.4 "IC50" "Inhibition of human recombinant NR1/NR2A receptor expressed in U2OS assessed as change in intracellular calcium level by FLIPR assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL275528" "Tclin|Tclin" "Homo sapiens" +"phencyclidine" 2121 "Glutamate NMDA receptor" "Ion channel" "P35439|Q00959|Q00960|Q00961|Q62645|Q8VHN2|Q9R1M7" "Grin1|Grin2a|Grin2b|Grin2c|Grin2d|Grin3a|Grin3b" "NMD3A_RAT|NMD3B_RAT|NMDE1_RAT|NMDE2_RAT|NMDE3_RAT|NMDE4_RAT|NMDZ1_RAT" 7.42 "Ki" "Binding affinity was determined towards NMDA receptor using [3H]thienylcyclidine as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL275528" "Rattus norvegicus" +"phencyclidine" 2121 "Acetylcholine receptor subunit alpha" "Ion channel" "P02710" "CHRNA1" "ACHA_TORCA" 6.66 "IC50" "Displacement of [3H]PCP from nAChR in Torpedo nobiliana electric organs membranes in presence of 100 uM carbachol by scintillation counting method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL275528" "Torpedo californica" +"phencyclidine" 2121 "Glutamate [NMDA] receptor" "Ion channel" "O15399|O60391|Q05586|Q12879|Q13224|Q14957|Q8TCU5" "GRIN1|GRIN2A|GRIN2B|GRIN2C|GRIN2D|GRIN3A|GRIN3B" "NMD3A_HUMAN|NMD3B_HUMAN|NMDE1_HUMAN|NMDE2_HUMAN|NMDE3_HUMAN|NMDE4_HUMAN|NMDZ1_HUMAN" 7.82 "Ki" "Affinity to NMDA receptor, using [3H]MK-801 as radioligand in pig brain cortex membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL275528" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"phencyclidine" 2121 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q9R0C9" "Sigmar1" "SGMR1_RAT" 6.28 "IC50" "Inhibition of [3H]NANM binding to sigma receptor obtained from tissue homogenate preparation of fresh whole rat brain minus cerebellum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL275528" "Rattus norvegicus" +"phendimetrazine" 2122 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 4.9 "Kd" "Binding affinity to 5HT1A receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1744" "Tclin" "Homo sapiens" +"phendimetrazine" 2122 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" "Mechanism of Action; CHEMBL238; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1744" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1744" "INHIBITOR" "Tclin" "Homo sapiens" +"phendimetrazine" 2122 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" "Mechanism of Action; CHEMBL222; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1744" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1744" "INHIBITOR" "Tclin" "Homo sapiens" +"phenelzine" 2123 "Membrane primary amine oxidase" "Enzyme" "Q16853" "AOC3" "AOC3_HUMAN" 7.7 "IC50" "Inhibition of human recombinant VAP-1 expressed in CHO cells after 30 mins by coupled colorimetric method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1089" "Tchem" "Homo sapiens" +"phenelzine" 2123 "Lysine-specific histone demethylase 1A" "Enzyme" "O60341" "KDM1A" "KDM1A_HUMAN" 4.75 "Ki" "Inhibition of LSD1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1089" "Tchem" "Homo sapiens" +"phenelzine" 2123 "Amine oxidase [flavin-containing] A" "Enzyme" "P21396" "Maoa" "AOFA_RAT" 7.52 "IC50" "In vitro ability to inhibit Monoamine oxidase A activity in rat whole brain in vitro" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1089" "Rattus norvegicus" +"phenelzine" 2123 "Amine oxidase [flavin-containing] B" "Enzyme" "P19643" "Maob" "AOFB_RAT" 7.12 "IC50" "In vitro ability to inhibit Monoamine oxidase B activity in rat whole brain in vitro" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1089" "Rattus norvegicus" +"phenelzine" 2123 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.07572078704834 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"phenelzine" 2123 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 7.82 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7266" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1089" "INHIBITOR" "Tclin" "Homo sapiens" +"phenelzine" 2123 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.698970004 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"phenelzine" 2123 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"phenelzine" 2123 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.397940009 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"phenelzine" 2123 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 6.835647144 "IC50" "DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1089" "INHIBITOR" "Tclin" "Homo sapiens" +"phenelzine" 2123 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 6.096910013 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"phenelzine" 2123 "FAD-linked sulfhydryl oxidase ALR" "Enzyme" "P55789" "GFER" "ALR_HUMAN" 5.11999988555908 "AC50" "PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1089" "Tchem" "Homo sapiens" +"phenelzine" 2123 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P14902" "IDO1" "I23O1_HUMAN" 4.84999990463257 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1089" "Tchem" "Homo sapiens" +"phenelzine" 2123 "Cytochrome P450 2C8" "Enzyme" "P10632" "CYP2C8" "CP2C8_HUMAN" 5.14 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7266" "INHIBITOR" "Tbio" "Homo sapiens" +"phenformin" 2126 "5'-AMP-activated protein kinase subunit beta-1" "Kinase" "Q9Y478" "PRKAB1" "AAKB1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"phenindamine" 2129 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 8.8 "Kd" "Potency against histamine H1 receptor on guinea pig ileum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL278398" "Cavia porcellus" +"phenindione" 2130 "Vitamin K epoxide reductase complex subunit 1" "Enzyme" "Q9BQB6" "VKORC1" "VKOR1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL711" "INHIBITOR" "Tclin" "Homo sapiens" +"phenindione" 2130 "Arachidonate 5-lipoxygenase" "Enzyme" "P12527" "Alox5" "LOX5_RAT" 4.82 "IC50" "In vitro inhibition of 5-lipoxygenase activity in RBL-1 cells." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL711" "Rattus norvegicus" +"phenindione" 2130 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"pheniprazine" 2131 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/17404836" "INHIBITOR" "Tclin" "Homo sapiens" +"pheniprazine" 2131 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/17404836" "INHIBITOR" "Tclin" "Homo sapiens" +"pheniramine" 2132 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 5.37840843200684 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"pheniramine" 2132 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.48 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1193" "Tclin|Tclin|Tclin" "Homo sapiens" +"pheniramine" 2132 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "Mechanism of Action; CHEMBL231; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1193" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1193" "ANTAGONIST" "Tclin" "Homo sapiens" +"phenmetrazine" 2133 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.8827 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200483" "INHIBITOR" "Tclin" "Homo sapiens" +"phenmetrazine" 2133 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.2976 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200483" "INHIBITOR" "Tclin" "Homo sapiens" +"phenmetrazine" 2133 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"phenobarbital" 2134 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P04774|P04775|P08104" "Scn1a|Scn2a|Scn3a" "SCN1A_RAT|SCN2A_RAT|SCN3A_RAT" 5.6 "IC50" "Inhibition of [3H]BTX-B binding to neurotoxin site 2 of sodium channel of rat cerebral cortex synaptoneurosomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL40" "Rattus norvegicus" +"phenobarbital" 2134 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" "Tclin|Tclin|Tclin" "Homo sapiens" +"phenobarbital" 2134 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"phenobarbital" 2134 "Nuclear receptor subfamily 1 group I member 3" "Nuclear hormone receptor" "Q14994" "NR1I3" "NR1I3_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"phenolphthalein" 2135 "Thymidylate synthase" "Enzyme" "P04818" "TYMS" "TYSY_HUMAN" 5.92 "Ki" "Inhibition of human thymidylate synthase using N5,N10-methylene tetrahydrofolate by chromogenic assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL63857" "Tclin" "Homo sapiens" +"phenolphthalein" 2135 "Thymidylate synthase" "Enzyme" "P00469" "thyA" "TYSY_LACCA" 5.33 "Ki" "Inhibition of Lactobacillus casei thymidylate synthase using N5,N10-methylene tetrahydrofolate by chromogenic assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL63857" "Lactobacillus casei" +"phenolphthalein" 2135 "Thymidylate synthase" "Enzyme" "Q834R3" "thyA" "TYSY_ENTFA" 5.85 "Ki" "Inhibition of Enterococcus faecalis thymidylate synthase using N5,N10-methylene tetrahydrofolate by chromogenic assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL63857" "Enterococcus faecalis (strain ATCC 700802 / V583)" +"phenolphthalein" 2135 "Thymidylate synthase" "Enzyme" "P0A884" "thyA" "TYSY_ECOLI" 5.33 "Ki" "In vitro inhibition of Lactobacillus casei Thymidylate synthase." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL63857" "Escherichia coli (strain K12)" +"phenoxybenzamine" 2136 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 8.45593166351318 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL753" "ANTAGONIST" "Tclin" "Homo sapiens" +"phenoxybenzamine" 2136 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.82 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL753" "Tchem" "Homo sapiens" +"phenoxybenzamine" 2136 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 8.74 "Ki" "In vitro binding affinity was measured as the inhibition of [3H]WB-4101 binding to alpha-1 adrenergic receptor of rat cortical membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL753" "Rattus norvegicus" +"phenoxybenzamine" 2136 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.35 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL753" "Tclin|Tclin|Tclin" "Homo sapiens" +"phenoxybenzamine" 2136 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd2|Drd3|Drd4|Drd5" "DRD1_RAT|DRD2_RAT|DRD3_RAT|DRD4_RAT|DRD5_RAT" 6.92 "Ki" "In vitro binding affinity to Dopamine receptors of rat striatal membranes by [3H]spiroperidol displacement." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL753" "Rattus norvegicus" +"phenoxybenzamine" 2136 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.27 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL753" "ANTAGONIST" "Tclin" "Homo sapiens" +"phenoxybenzamine" 2136 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.28 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL753" "ANTAGONIST" "Tclin" "Homo sapiens" +"phenprocoumon" 2138 "Pol polyprotein" "Enzyme" "Q72874" "pol" "Q72874_9HIV1" 6.1 "Ki" "Binding affinity towards HIV protease was determined" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1465" "Human immunodeficiency virus 1" +"phenprocoumon" 2138 "Vitamin K epoxide reductase complex subunit 1" "Enzyme" "Q9BQB6" "VKORC1" "VKOR1_HUMAN" 5.74472761154175 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "CHEMBL" "http://www.ncbi.nlm.nih.gov/pubmed/17275317" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1465" "INHIBITOR" "Tclin" "Homo sapiens" +"phensuximide" 2139 "Voltage-gated T-type calcium channel" "Ion channel" "O43497|O95180|Q9P0X4" "CACNA1G|CACNA1H|CACNA1I" "CAC1G_HUMAN|CAC1H_HUMAN|CAC1I_HUMAN" "Mechanism of Action; CHEMBL2362995; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL797" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL797" "BLOCKER" "Tclin|Tclin|Tclin" "Homo sapiens" +"phentermine" 2140 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1574" "INHIBITOR" "Tclin" "Homo sapiens" +"phentermine" 2140 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.8013 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"phentolamine" 2142 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.39794015884399 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"phentolamine" 2142 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.60926914215088 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"phentolamine" 2142 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.66735935211182 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"phentolamine" 2142 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.783886903 "Ki" "DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"phentolamine" 2142 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.615825861 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"phentolamine" 2142 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.684029655 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"phentolamine" 2142 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"phentolamine" 2142 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.346787486 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"phentolamine" 2142 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.32 "Ki" "Binding affinity towards human alpha-1B adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL597" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL597" "ANTAGONIST" "Tclin" "Homo sapiens" +"phentolamine" 2142 "Alpha-1B adrenergic receptor" "GPCR" "P18841" "ADRA1B" "ADA1B_MESAU" 6.66 "Ki" "Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL597" "Mesocricetus auratus" +"phentolamine" 2142 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 8.85 "Ki" "Binding affinity towards Alpha-2 adrenergic receptor, using [3H]- atipamezole as radioligand from rat frontal cortex membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL597" "Rattus norvegicus" +"phentolamine" 2142 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.26 "IC50" "The compound was tested for affinity towards sigma-3 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL597" "Tclin" "Homo sapiens" +"phentolamine" 2142 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 8.17 "Ki" "Displacement of [3H]prazosin (0.3 nM) from bovine Alpha-1A adrenergic receptor expressed in BHK cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL597" "Bos taurus" +"phentolamine" 2142 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 8.12 "Ki" "Binding affinity against Alpha-2B adrenergic receptor from human clones." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL597" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL597" "ANTAGONIST" "Tclin" "Homo sapiens" +"phentolamine" 2142 "Alpha-2A adrenergic receptor" "GPCR" "Q28838" "ADRA2A" "ADA2A_BOVIN" 9.03 "Ki" "Binding affinity against alpha-2 adrenergic receptor from calf cerebral cortex, using [3H]clonidine as the radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL597" "Bos taurus" +"phentolamine" 2142 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 8.08 "Ki" "Binding affinity against Alpha-2C adrenergic receptor from human clones." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL597" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL597" "ANTAGONIST" "Tclin" "Homo sapiens" +"phentolamine" 2142 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.71 "Ki" "Binding affinity towards human alpha-1D adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL597" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL597" "ANTAGONIST" "Tclin" "Homo sapiens" +"phentolamine" 2142 "Nischarin" "Membrane receptor" "Q9Y2I1" "NISCH" "NISCH_HUMAN" 7.94 "Ki" "Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL597" "Tclin" "Homo sapiens" +"phentolamine" 2142 "Alpha-2A adrenergic receptor" "GPCR" "P22909" "Adra2a" "ADA2A_RAT" 8.33 "Ki" "The compound was tested for binding affinity against alpha-2D adrenergic receptor, from rat clones." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL597" "Rattus norvegicus" +"phentolamine" 2142 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.08 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL597" "Tclin|Tclin|Tclin" "Homo sapiens" +"phentolamine" 2142 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 8.77 "Ki" "Displacement of [3H]RX781094 from alpha2 adrenergic receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL597" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL597" "ANTAGONIST" "Tclin" "Homo sapiens" +"phentolamine" 2142 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 4.9 "IC50" "Displacement of [3H]mepyramine from histamine H1 receptor in Sprague-Dawley rat brain membrane after 2 hr by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL597" "Rattus norvegicus" +"phentolamine" 2142 "Alpha-1D adrenergic receptor" "GPCR" "P23944" "Adra1d" "ADA1D_RAT" 7.35 "Ki" "Displacement of [3H]prazosin (0.3 nM) from rat Alpha-1D adrenergic receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL597" "Rattus norvegicus" +"phentolamine" 2142 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.39 "Ki" "Binding affinity towards alpha-1A adrenergic receptor expressed in human embryonic kidney (HEK293) cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL597" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL597" "ANTAGONIST" "Tclin" "Homo sapiens" +"phentolamine" 2142 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.96 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL597" "Rattus norvegicus" +"phenylalanine" 2144 "Voltage-dependent calcium channel subunit alpha-2/delta-1" "Ion channel" "O08532" "Cacna2d1" "CA2D1_MOUSE" 6.01 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL301523" "Mus musculus" +"phenylalanine" 2144 "Intestinal alkaline phosphatase" "Unclassified" "P19111" "ALPI" "PPBI_BOVIN" 4.1 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL301523" "Bos taurus" +"phenylalanine" 2144 "L-type amino acid transporter 1" "Unclassified" "Q63016" "Slc7a5" "LAT1_RAT" 4.26 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL301523" "Rattus norvegicus" +"phenylalanine" 2144 "Probable G-protein coupled receptor 139" "Unclassified" "Q6DWJ6" "GPR139" "GP139_HUMAN" 4.51 "IC50" "Measured using a GTPγS assay in transfected COS7 cells." "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3313" "AGONIST" "Homo sapiens" +"phenylbutazone" 2145 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.52 "IC50" "Compound was evaluated for inhibition of Prostaglandin G/H synthase 1" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL101" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL101" "INHIBITOR" "Tclin" "Homo sapiens" +"phenylbutazone" 2145 "Cyclooxygenase" "Enzyme" "P35355|Q63921" "Ptgs1|Ptgs2" "PGH1_RAT|PGH2_RAT" 4.82 "IC50" "Compound was tested for inhibition of prostaglandin synthetase when administered perorally" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL101" "Rattus norvegicus" +"phenylbutazone" 2145 "Cyclooxygenase 2; Prostaglandin G/H synthase-2; Uncharacterized protein" "Enzyme" "Q8SPQ9" "PTGS2" "Q8SPQ9_CANFA" 5.42 "IC50" "Inhibitory activity of the compound against canine COX-2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL101" "Canis familiaris" +"phenylbutazone" 2145 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 4.72 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"phenylbutazone" 2145 "Prostacyclin synthase" "Enzyme" "Q16647" "PTGIS" "PTGIS_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"phenylbutazone" 2145 "fMet-Leu-Phe receptor" "GPCR" "P21462" "FPR1" "FPR1_HUMAN" 4.69 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"phenylephrine" 2146 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 6.9 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1215" "AGONIST" "Tclin" "Homo sapiens" +"phenylephrine" 2146 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.9 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1215" "AGONIST" "Tclin" "Homo sapiens" +"phenylephrine" 2146 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 6.57 "Ki" "Displacement of [3H]clonidine from Alpha-2 adrenergic receptor of rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1215" "Rattus norvegicus" +"phenylephrine" 2146 "Adrenergic receptor alpha-2" "GPCR" "P08913|P18089|P18825" "ADRA2A|ADRA2B|ADRA2C" "ADA2A_HUMAN|ADA2B_HUMAN|ADA2C_HUMAN" 6.41 "Ki" "Compound was tested for its ability to displace [3H]clonidine form alpha-2 adrenergic receptor site in guinea pig cerebral cortical membranes." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1215" "Tclin|Tclin|Tclin" "Homo sapiens" +"phenylephrine" 2146 "Beta-1 adrenergic receptor" "GPCR" "P18090" "Adrb1" "ADRB1_RAT" 4.89 "Ki" "Displacement of [3H]dihydroalprenolol from adrenergic beta 1 receptor of rat cerebral cortical membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1215" "Rattus norvegicus" +"phenylephrine" 2146 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 5.21 "Ki" "Displacement of [3H]WB-4101 from adrenergic alpha 1 receptor of rat cerebral cortical membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1215" "Rattus norvegicus" +"phenylephrine" 2146 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 5.3 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1215" "AGONIST" "Tclin" "Homo sapiens" +"phenylephrine" 2146 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 6.03 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1215" "Bos taurus" +"phenylephrine" 2146 "Alpha-1B adrenergic receptor" "GPCR" "P18841" "ADRA1B" "ADA1B_MESAU" 5.9 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1215" "Mesocricetus auratus" +"phenylpropanolamine" 2149 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 5.01 "Ki" "Binding affinity to alpha1A adrenoreceptor in Rattus norvegicus (rat) submaxillary gland by radioligand displacement assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL61006" "Rattus norvegicus" +"phenylpropanolamine" 2149 "Alpha-1B adrenergic receptor" "GPCR" "P18841" "ADRA1B" "ADA1B_MESAU" 5.02 "Ki" "Binding affinity to Cricetinae (hamster) alpha1B adrenoreceptor by radioligand displacement assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL61006" "Mesocricetus auratus" +"phenylpropanolamine" 2149 "Alpha-1D adrenergic receptor" "GPCR" "P23944" "Adra1d" "ADA1D_RAT" 5.07 "Ki" "Binding affinity to Rattus norvegicus (rat) alpha1D adrenoreceptor by radioligand displacement assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL61006" "Rattus norvegicus" +"phenylpropanolamine" 2149 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "Mechanism of Action; CHEMBL229; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL61006" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL61006" "AGONIST" "Tclin" "Homo sapiens" +"phenylpropanolamine" 2149 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.56 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"phenylpropanolamine" 2149 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.823908741 "Ki" "PDSP" "Tclin" "Homo sapiens" +"phenylpropanolamine" 2149 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 7.165579296 "Ki" "PDSP" "Tclin" "Homo sapiens" +"phenylpropanolamine" 2149 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.576754126 "Ki" "PDSP" "Tclin" "Homo sapiens" +"phenylpropanolamine" 2149 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.397940009 "Ki" "PDSP" "Tclin" "Homo sapiens" +"phenylpropanolamine" 2149 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.171275673 "Ki" "PDSP" "Tclin" "Homo sapiens" +"phenylpropanolamine" 2149 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 5.15490196 "Ki" "PDSP" "Tclin" "Homo sapiens" +"phenylpropanolamine" 2149 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"phenylpropanolamine" 2149 "Alpha-2B adrenergic receptor" "GPCR" "P19328" "Adra2b" "ADA2B_RAT" 6.58 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL61006" "Rattus norvegicus" +"phenyltoloxamine" 2150 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.56 "Ki" "Binding affinity for human recombinant dopamine receptor D2L" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL186720" "Tclin" "Homo sapiens" +"phenyltoloxamine" 2150 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 6.38 "Ki" "Binding affinity for human recombinant dopamine receptor D5" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL186720" "Tchem" "Homo sapiens" +"phenyltoloxamine" 2150 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.46 "Ki" "Binding affinity for human recombinant dopamine receptor D1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL186720" "Tclin" "Homo sapiens" +"phenyltoloxamine" 2150 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.56 "Ki" "Binding affinity for human recombinant dopamine receptor D4.4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL186720" "Tchem" "Homo sapiens" +"phenyltoloxamine" 2150 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/28684" "ANTAGONIST" "Tclin" "Homo sapiens" +"phenytoin" 2152 "Sodium channel protein type 1 subunit alpha" "Ion channel" "P35498" "SCN1A" "SCN1A_HUMAN" "Mechanism of Action" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL16" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL16" "BLOCKER" "Tclin" "Homo sapiens" +"phenytoin" 2152 "Sodium channel protein type 3 subunit alpha" "Ion channel" "Q9NY46" "SCN3A" "SCN3A_HUMAN" "Mechanism of Action" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL16" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL16" "BLOCKER" "Tclin" "Homo sapiens" +"phenytoin" 2152 "Sodium channel protein type 8 subunit alpha" "Ion channel" "Q9UQD0" "SCN8A" "SCN8A_HUMAN" "Mechanism of Action" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL16" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL16" "BLOCKER" "Tclin" "Homo sapiens" +"phenytoin" 2152 "Sodium channel protein type 9 subunit alpha" "Ion channel" "Q15858" "SCN9A" "SCN9A_HUMAN" "Mechanism of Action" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL16" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL16" "BLOCKER" "Tclin" "Homo sapiens" +"phenytoin" 2152 "Sodium channel protein type 2 subunit alpha" "Ion channel" "Q99250" "SCN2A" "SCN2A_HUMAN" 4.9 "IC50" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2624" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL16" "BLOCKER" "Tclin" "Homo sapiens" +"phenytoin" 2152 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P04774|P04775|P08104" "Scn1a|Scn2a|Scn3a" "SCN1A_RAT|SCN2A_RAT|SCN3A_RAT" 4.4 "IC50" "In vitro inhibition of Voltage-gated sodium channel by the displacement of [3H]batrachotoxin A 20-alpha-benzoate in rat brain cerebral cortex synaptoneurosomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL16" "Rattus norvegicus" +"phenytoin" 2152 "Sodium channel protein type 4 subunit alpha" "Ion channel" "P35499" "SCN4A" "SCN4A_HUMAN" 4.62 "Ki" "Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL16" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL16" "BLOCKER" "Tclin" "Homo sapiens" +"phenytoin" 2152 "Sodium channel protein type 2 subunit alpha" "Ion channel" "P04775" "Scn2a" "SCN2A_RAT" 4.66 "IC50" "Inhibition of rat Nav1.2 channel expressed in chinese hamster CHL1610 cells at preconditioning pulse of -67 mV after 2 to 3 mins by whole-cell patch-clamp technique" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL16" "Rattus norvegicus" +"phenytoin" 2152 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL16" "BLOCKER" "Tclin" "Homo sapiens" +"phenytoin" 2152 "Nuclear receptor subfamily 1 group I member 3" "Nuclear hormone receptor" "Q14994" "NR1I3" "NR1I3_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"phloroglucinol" 2153 "Beta-secretase 1" "Enzyme" "P56817" "BACE1" "BACE1_HUMAN" 4.44 "IC50" "Inhibition of human recombinant BACE1 after 60 mins by FRET assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL473159" "Tchem" "Homo sapiens" +"oxagrelate" 2156 "Phosphodiesterase 1" "Enzyme" "P54750|Q01064|Q14123" "PDE1A|PDE1B|PDE1C" "PDE1A_HUMAN|PDE1B_HUMAN|PDE1C_HUMAN" 5 "Ki" "Binding affinity for [Ca(2+)]/calmodulin dependent phosphodiesterase PDE 1 of human brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL153427" "Tclin|Tclin|Tclin" "Homo sapiens" +"oxagrelate" 2156 "Phosphodiesterase 3" "Enzyme" "Q13370|Q14432" "PDE3A|PDE3B" "PDE3A_HUMAN|PDE3B_HUMAN" 5.85 "Ki" "Binding affinity for low Km cAMP phosphodiesterase PDE III of human platelets" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL153427" "Tclin|Tclin" "Homo sapiens" +"physostigmine" 2159 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.698970004 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"physostigmine" 2159 "Acetylcholinesterase" "Enzyme" "P23795" "ACHE" "ACES_BOVIN" 7.52 "IC50" "Concentration required to inhibit hydrolytic activity of Acetylcholinesterase by 50%" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL94" "Bos taurus" +"physostigmine" 2159 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 9.37 "IC50" "In vitro inhibitory activity against acetylcholinesterase" "CHEMBL" "=" 1 "IUPHAR" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL94" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6598" "INHIBITOR" "Tclin" "Homo sapiens" +"physostigmine" 2159 "Acetylcholinesterase" "Enzyme" "P04058" "ache" "ACES_TORCA" 7.96 "IC50" "Inhibition of Pacific electric ray AChE using acetylthiocholine iodide as substrate after 60 mins by Ellman's method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL94" "Torpedo californica" +"physostigmine" 2159 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 7.47 "Ki" "Time dependent inhibition of Electric eel AChE assessed as stability constants of inhibitor-enzyme complex using acetylthiocholine as substrate after 60 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL94" "Electrophorus electricus" +"physostigmine" 2159 "Acetylcholinesterase" "Unclassified" "P36196" "ACHE" "ACES_CHICK" 7.7 "IC50" "Inhibition of acetylcholine esterase in chicken biventer cervicis muscle assessed as rate of acetylcholine hydrolysis by Ellman's method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL94" "Gallus gallus" +"physostigmine" 2159 "Acetylcholinesterase" "Enzyme" "P37136" "Ache" "ACES_RAT" 9.17 "IC50" "Inhibitory concentration in vitro and ex vivo for anti-AChE activity in rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL94" "Rattus norvegicus" +"physostigmine" 2159 "Acetylcholinesterase" "Enzyme" "P21836" "Ache" "ACES_MOUSE" 9.17 "IC50" "Inhibitory activity against acetylcholinesterase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL94" "Mus musculus" +"physostigmine" 2159 "Butyrylcholinesterase; Protein Bche" "Enzyme" "Q9JKC1" "Bche" "Q9JKC1_RAT" 8.12 "IC50" "Inhibition of rat plasma BChE by Ellman's method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL94" "Rattus norvegicus" +"physostigmine" 2159 "Cholinesterase" "Enzyme" "P06276" "BCHE" "CHLE_HUMAN" 5.3 "Ki" "Inhibition of anticholinesterase activity by their ability to inactivate human serum butyrylcholinesterase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL94" "Tclin" "Homo sapiens" +"physostigmine" 2159 "Cholinesterase" "Enzyme" "Q03311" "Bche" "CHLE_MOUSE" 6.55 "IC50" "Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL94" "Mus musculus" +"physostigmine" 2159 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 7.39 "Ki" "Time dependent inhibition of equine serum BChE assessed as stability constants of inhibitor-enzyme complex using acetylthiocholine as substrate after 60 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL94" "Equus caballus" +"physostigmine" 2159 "Muscarinic acetylcholine receptor M1" "GPCR" "P12657" "Chrm1" "ACM1_MOUSE" 4.43 "IC50" "Binding affinity against mouse muscarinic acetylcholine receptor M1 using cerebral cortex and [3H]pirenzepine" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL94" "Mus musculus" +"physostigmine" 2159 "Butyrylcholinesterase" "Enzyme" "Q9N1N9" "BCHE" "Q9N1N9_HORSE" 7.8 "IC50" "Compound was evaluated for its inhibitory concentration against Horse serum Butyrylcholinesterase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL94" "Equus caballus" +"picrotoxin" 2162 "5-hydroxytryptamine receptor 3A" "Ion channel" "P23979" "Htr3a" "5HT3A_MOUSE" 4.5 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4051" "BLOCKER" "Mus musculus" +"picrotoxin" 2162 "GABA-A receptor; anion channel" "Ion channel" "O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14" "Gabra1|Gabra2|Gabra3|Gabra4|Gabra5|Gabra6|Gabrb1|Gabrb2|Gabrb3|Gabrd|Gabre|Gabrg1|Gabrg2|Gabrg3|Gabrp|Gabrq" "GBRA1_RAT|GBRA2_RAT|GBRA3_RAT|GBRA4_RAT|GBRA5_RAT|GBRA6_RAT|GBRB1_RAT|GBRB2_RAT|GBRB3_RAT|GBRD_RAT|GBRE_RAT|GBRG1_RAT|GBRG2_RAT|GBRG3_RAT|GBRP_RAT|Q91ZM7_RAT" 5.88 "IC50" "Tested for inhibition of specific binding of [3H]-EBOB to GABA-Gated Chloride channels of Gamma-aminobutyric acid A receptor in rat brain cortex (Potency expressed as IC50)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1908342" "Rattus norvegicus" +"picrotoxin" 2162 "Glycine receptor subunit beta" "Ion channel" "P48167" "GLRB" "GLRB_HUMAN" 4.5 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4051" "BLOCKER" "Tclin" "Homo sapiens" +"picrotoxin" 2162 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 5.2 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4051" "BLOCKER" "Tclin" "Homo sapiens" +"picrotoxin" 2162 "Glycine receptor subunit alpha-2" "Ion channel" "P23416" "GLRA2" "GLRA2_HUMAN" 5.6 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4051" "BLOCKER" "Tchem" "Homo sapiens" +"picrotin" 2163 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 5.28 "IC50" "GRAC: human Glycine receptor subunit alpha-1 channel blocker" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL478523" "Tclin" "Homo sapiens" +"picrotin" 2163 "Glycine receptor subunit alpha-3" "Ion channel" "O75311" "GLRA3" "GLRA3_HUMAN" 5.22 "IC50" "GRAC: human Glycine receptor subunit alpha-3 channel blocker" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL478523" "Tchem" "Homo sapiens" +"picrotin" 2163 "Glycine receptor subunit beta" "Ion channel" "P48167" "GLRB" "GLRB_HUMAN" 4.6 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4286" "BLOCKER" "Tclin" "Homo sapiens" +"picrotin" 2163 "Glycine receptor subunit alpha-2" "Ion channel" "P23416" "GLRA2" "GLRA2_HUMAN" 4.9 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4286" "BLOCKER" "Tchem" "Homo sapiens" +"piketoprofen" 2165 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D08374" "http://www.kegg.jp/entry/D08374" "INHIBITOR" "Tclin" "Homo sapiens" +"piketoprofen" 2165 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D08374" "http://www.kegg.jp/entry/D08374" "INHIBITOR" "Tclin" "Homo sapiens" +"pilocarpine" 2166 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.01999998092651 "EC50" "calcium response in CHO cells" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/24558448" "AGONIST" "Tclin" "Homo sapiens" +"pilocarpine" 2166 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.94999980926514 "EC50" "calcium response in CHO cells" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/24558448" "AGONIST" "Tclin" "Homo sapiens" +"pilocarpine" 2166 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.96999979019165 "EC50" "calcium response in CHO cells" "SCIENTIFIC LITERATURE" "=" 1 "IUPHAR" "http://www.ncbi.nlm.nih.gov/pubmed/24558448" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=305" "AGONIST" "Tclin" "Homo sapiens" +"pilocarpine" 2166 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.15000009536743 "EC50" "calcium response in CHO cells" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/24558448" "AGONIST" "Tclin" "Homo sapiens" +"pilocarpine" 2166 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7 "EC50" "calcium response in CHO cells" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/24558448" "AGONIST" "Tclin" "Homo sapiens" +"pilocarpine" 2166 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 5.01 "Ki" "Compound was evaluated for its affinity towards Muscarinic acetylcholine receptor M2, using [3H]- N-methyl-scopolamine, a radioligand displacement assay in rat heart membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL550" "Rattus norvegicus" +"pilocarpine" 2166 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 5.51 "Ki" "Compound was evaluated for its affinity towards Muscarinic acetylcholine receptor M1, using [3H]- pirenzepine, a radioligand displacement assay in rat hippocampal membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL550" "Rattus norvegicus" +"pilocarpine" 2166 "Muscarinic acetylcholine receptor DM1" "GPCR" "P16395" "mAChR-A" "ACM1_DROME" 5.55 "Ki" "Displacement of [3H]AF-DX 384 from Drosophila melanogaster mAChR by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL550" "Drosophila melanogaster" +"pilocarpine" 2166 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm2|Chrm3|Chrm4|Chrm5" "ACM1_RAT|ACM2_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT" 7.08 "Ki" "Inhibition of [3H]OXO-M binding against muscarinic acetylcholine receptor in rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL550" "Rattus norvegicus" +"pilocarpine" 2166 "Muscarinic acetylcholine receptor M1" "GPCR" "P12657" "Chrm1" "ACM1_MOUSE" 5.16 "EC50" "Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL550" "Mus musculus" +"pilsicainide" 2167 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.69 "IC50" "Inhibition of human ERG channel in HEK293 cells by voltage-clamp method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL163238" "Tclin" "Homo sapiens" +"pilsicainide" 2167 "Sodium channel protein type 4 subunit alpha" "Ion channel" "P35499" "SCN4A" "SCN4A_HUMAN" 4.37675094604492 "IC50" "pH 8.2; use-dependent block at -70mV" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/20590641" "http://www.ncbi.nlm.nih.gov/pubmed/20590641" "BLOCKER" "Tclin" "Homo sapiens" +"pimecrolimus" 2168 "Peptidyl-prolyl cis-trans isomerase FKBP1A" "Enzyme" "P62942" "FKBP1A" "FKB1A_HUMAN" 9 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200686" "INHIBITOR" "Tclin" "Homo sapiens" +"pimecrolimus" 2168 "Serine/threonine-protein phosphatase 2B catalytic subunit gamma isoform" "Enzyme" "P48454" "PPP3CC" "PP2BC_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"pimecrolimus" 2168 "Interleukin-2" "Cytokine" "P60568" "IL2" "IL2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"pimecrolimus" 2168 "Interferon gamma" "Cytokine" "P01579" "IFNG" "IFNG_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"pimecrolimus" 2168 "Interleukin-5" "Cytokine" "P05113" "IL5" "IL5_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"pimecrolimus" 2168 "Peptidyl-prolyl cis-trans isomerase FKBP1A" "Unclassified" "Q62658" "Fkbp1a" "FKB1A_RAT" 8.22 "IC50" "Indirect measurement of primary target inhibition via rotamase inhibition" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6783" "INHIBITOR" "Rattus norvegicus" +"pimethixene" 2169 "Transcriptional activator protein luxR" "Unclassified" "P12746" "luxR" "LUXR_ALIFS" 4.25 "IC50" "Inhibition of LuxR-dependent quorum sensing in Vibrio fischeri assessed as reduction of 3-oxo-C6-HSL-induced bioluminescence intensity" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL152408" "Aliivibrio fischeri" +"pimethixene" 2169 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 8.6 "Ki" "Binding affinity against 5-hydroxytryptamine 2A receptor from rat forebrain using [3H]ketanserin as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL152408" "Rattus norvegicus" +"pimobendan" 2171 "Type-1 angiotensin II receptor" "GPCR" "P25104" "AGTR1" "AGTR1_BOVIN" 4.77 "IC50" "Concentration required for 50% inhibition of binding against Angiotensin II receptor, type 1 in bovine adrenal cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24646" "Bos taurus" +"pimobendan" 2171 "Phosphodiesterase 3" "Enzyme" "Q13370|Q14432" "PDE3A|PDE3B" "PDE3A_HUMAN|PDE3B_HUMAN" 6.3899998664856 "IC50" "Inhibition of phosphodiesterase 3" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24646" "http://www.ncbi.nlm.nih.gov/pubmed/11855658" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"pimozide" 2172 "Ubiquitin carboxyl-terminal hydrolase 1" "Enzyme" "O94782" "USP1" "UBP1_HUMAN" 5.69999980926514 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1423" "Tchem" "Homo sapiens" +"pimozide" 2172 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.7447 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tchem" "Homo sapiens" +"pimozide" 2172 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.05848836898804 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"pimozide" 2172 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 5.50863838195801 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"pimozide" 2172 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.70885324478149 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"pimozide" 2172 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.79778432846069 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"pimozide" 2172 "Voltage-dependent T-type calcium channel subunit alpha-1I" "Ion channel" "Q9P0X4" "CACNA1I" "CAC1I_HUMAN" 7.5 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=90" "BLOCKER" "Tclin" "Homo sapiens" +"pimozide" 2172 "Potassium voltage-gated channel subfamily A member 10" "Ion channel" "Q16322" "KCNA10" "KCA10_HUMAN" 6.5 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=90" "BLOCKER" "Tclin" "Homo sapiens" +"pimozide" 2172 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.0455 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"pimozide" 2172 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.5585 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"pimozide" 2172 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.8623 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1423" "ANTAGONIST" "Tclin" "Homo sapiens" +"pimozide" 2172 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.8416 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"pimozide" 2172 "Calmodulin" "Cytosolic other" "P0DP23|P0DP24|P0DP25" "CALM1|CALM2|CALM3" "CALM1_HUMAN|CALM2_HUMAN|CALM3_HUMAN" 5.2218 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"pimozide" 2172 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" 6 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"pimozide" 2172 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.4242 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"pimozide" 2172 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.71 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"pimozide" 2172 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.0856 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"pimozide" 2172 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 6.704 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"pimozide" 2172 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 9.301 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"pimozide" 2172 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.1487 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"pimozide" 2172 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.63 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"pimozide" 2172 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.5376 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"pimozide" 2172 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 7.7447 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"pimozide" 2172 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 9.3 "Ki" "Binding affinity towards rat 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1423" "Rattus norvegicus" +"pimozide" 2172 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.47 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1423" "Tchem" "Homo sapiens" +"pimozide" 2172 "D(2) dopamine receptor" "GPCR" "P20288" "DRD2" "DRD2_BOVIN" 9.22 "Ki" "Binding affinity of compound towards Dopamine receptor D2 using [3H]raclopride (1.2 nM) ligand in striatum bovine was determined" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1423" "Bos taurus" +"pimozide" 2172 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd2|Drd3|Drd4|Drd5" "DRD1_RAT|DRD2_RAT|DRD3_RAT|DRD4_RAT|DRD5_RAT" 9.4 "IC50" "Inhibition of [3H]haloperidol binding to dopamine receptors in rat striatal membranes." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1423" "Rattus norvegicus" +"pimozide" 2172 "Voltage-dependent T-type calcium channel subunit alpha-1G" "Ion channel" "O43497" "CACNA1G" "CAC1G_HUMAN" 7.4 "Kd" "Inhibition of T-type alpha1G calcium channel" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1423" "Tclin" "Homo sapiens" +"pimozide" 2172 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 6 "IC50" "Binding affinity against opioid receptor kappa 1 by using [3H]U-69593 as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1423" "Tclin" "Homo sapiens" +"pimozide" 2172 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.42 "IC50" "Binding affinity against delta opiate receptor using [3H]DPDPE" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1423" "Tclin" "Homo sapiens" +"pimozide" 2172 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 6.43 "IC50" "Binding affinity against mu opioid receptor using [3H]DAMGO" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1423" "Tclin" "Homo sapiens" +"pimozide" 2172 "Sodium channel protein type 2 subunit alpha" "Ion channel" "P04775" "Scn2a" "SCN2A_RAT" 6.47 "IC50" "Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1423" "Rattus norvegicus" +"pimozide" 2172 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 5.76999998092651 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1423" "Tclin" "Homo sapiens" +"pimozide" 2172 "Voltage-dependent T-type calcium channel subunit alpha-1G" "Ion channel" "O54898" "Cacna1g" "CAC1G_RAT" 7.5 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=90" "BLOCKER" "Rattus norvegicus" +"pimozide" 2172 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 7.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=90" "ANTAGONIST" "Rattus norvegicus" +"pimozide" 2172 "G protein-activated inward rectifier potassium channel 2" "Ion channel" "P48542" "Kcnj6" "KCNJ6_MOUSE" 5.5 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=90" "GATING INHIBITOR" "Mus musculus" +"pimozide" 2172 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "Q9EQ60" "Cacna1h" "CAC1H_RAT" 7.3 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=90" "BLOCKER" "Rattus norvegicus" +"pinacidil" 2173 "ATP-binding cassette sub-family C member 9" "Ion channel" "O60706" "ABCC9" "ABCC9_HUMAN" 5.45 "EC50" "Channel opening activity at SUR2B/Kir6.2 potassium ATP channel in human TE671 cells assessed as isometric force by FLIPR" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1159" "Tclin" "Homo sapiens" +"pinacidil" 2173 "Sulfonylurea receptor 2, Kir6.2" "Ion channel" "O60706|Q14654" "ABCC9|KCNJ11" "ABCC9_HUMAN|KCJ11_HUMAN" 6.49 "Ki" "Binding affinity was determined by displacement of [3H]P1075 from its binding sites in canine cardiac membranes" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1159" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1159" "OPENER" "Tclin|Tclin" "Homo sapiens" +"pinacidil" 2173 "Calcium-activated potassium channel subunit alpha-1" "Ion channel" "Q12791" "KCNMA1" "KCMA1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"pindolol" 2176 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 5.20885467529297 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"pindolol" 2176 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=91" "AGONIST" "Tclin" "Homo sapiens" +"pindolol" 2176 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=91" "AGONIST" "Tclin" "Homo sapiens" +"pindolol" 2176 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2a|Htr2b|Htr2c" "5HT2A_RAT|5HT2B_RAT|5HT2C_RAT" 4.53 "Ki" "Binding affinity to 5-hydroxytryptamine 2 receptor in rat frontal cortical membranes by [3H]- KET displacement." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL500" "Rattus norvegicus" +"pindolol" 2176 "Serotonin 1 (5-HT1) receptor" "GPCR" "P19327|P28564|P28565|P30940" "Htr1a|Htr1b|Htr1d|Htr1f" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT" 7 "Ki" "Evaluated for binding affinity towards rat cortical membranes at 5-hydroxytryptamine 1 receptor binding site by using [3H]-5-HT as a radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL500" "Rattus norvegicus" +"pindolol" 2176 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 7.1 "Ki" "Binding affinity (Ki) to rat cortical membranes at 5-HT1B binding site by using [125 I] ICYP as a radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL500" "Rattus norvegicus" +"pindolol" 2176 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 7.7 "Ki" "Evaluated for the binding affinity to hippocampus striatal membranes at 5-hydroxytryptamine 1A receptor binding site by using [3H]-8-OH- DPAT as a radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL500" "Rattus norvegicus" +"pindolol" 2176 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 4.27 "Ki" "Evaluated for the binding affinity to porcine choroid plexus at 5-hydroxytryptamine 2C receptor binding site by using [3H]-MES as a radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL500" "Tclin" "Homo sapiens" +"pindolol" 2176 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 6.78 "Kd" "Displacement of [3H]-CGP 12177 from human beta-3 adrenergic receptor expressed in CHOK1 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL500" "Tclin" "Homo sapiens" +"pindolol" 2176 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 9 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL500" "PARTIAL AGONIST" "Tclin" "Homo sapiens" +"pindolol" 2176 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 9.4 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL500" "PARTIAL AGONIST" "Tclin" "Homo sapiens" +"pindolol" 2176 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.1 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"pindolol" 2176 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.1 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"pioglitazone" 2179 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 6.23 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL595" "AGONIST" "Tclin" "Homo sapiens" +"pioglitazone" 2179 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 6.943095149 "IC50" "DRUGMATRIX: Carbonic Anhydrase II enzyme inhibition (substrate: 4-Nitrophenyl acetate (4-NPA))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pioglitazone" 2179 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 4.455076618 "IC50" "DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pioglitazone" 2179 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 4.879426069 "IC50" "DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde)" "DRUG MATRIX" "=" "Rattus norvegicus" +"pioglitazone" 2179 "Peroxisome proliferator-activated receptor gamma" "Transcription factor" "P37238" "Pparg" "PPARG_MOUSE" 6.15 "IC50" "Displacement of [3H]rosiglitazone from mouse PPARgamma receptor by scintillation proximation assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL595" "Mus musculus" +"pioglitazone" 2179 "Enoyl-[acyl-carrier-protein] reductase [NADH]" "Enzyme" "Q5NGQ3" "fabI" "Q5NGQ3_FRATT" 4.1 "IC50" "Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed as oxidation of NADH to NAD+ by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL595" "Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)" +"pioglitazone" 2179 "Amine oxidase [flavin-containing] B" "Enzyme" "P19643" "Maob" "AOFB_RAT" 5.68 "Ki" "Competitive inhibition of rat MAOB expressed in Pichia pastoris" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL595" "Rattus norvegicus" +"pioglitazone" 2179 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 6.3 "Ki" "Competitive inhibition of human MAOB expressed in Pichia pastoris" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL595" "Tclin" "Homo sapiens" +"pioglitazone" 2179 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 5.18 "EC50" "In vitro transactivation of human Peroxisome proliferator activated receptor alpha (hPPARalpha)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL595" "Tclin" "Homo sapiens" +"pioglitazone" 2179 "Peroxisome proliferator-activated receptor gamma" "Transcription factor" "O88275" "Pparg" "PPARG_RAT" 6.15 "IC50" "Displacement of [3H]rosigliatzone from PPARgamma in rat adipocytes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL595" "Rattus norvegicus" +"pioglitazone" 2179 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 6.51999998092651 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL595" "Tchem" "Homo sapiens" +"pioglitazone" 2179 "Bile salt export pump" "Unclassified" "O70127" "Abcb11" "ABCBB_RAT" 5.7 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL595" "Rattus norvegicus" +"pipamazine" 2180 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.795880017 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pipamazine" 2180 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.869666232 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pipamazine" 2180 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.602059991 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pipamazine" 2180 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.318758763 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pipamazine" 2180 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.460923901 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pipamazine" 2180 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.350665141 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pipamazine" 2180 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.992252222 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pipamazine" 2180 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.256490235 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pipamazine" 2180 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.508638306 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pipamazine" 2180 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.958607315 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pipamazine" 2180 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.283996656 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"pipamazine" 2180 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 9.104577454 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pipamazine" 2180 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.798602876 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pipamazine" 2180 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.93930216 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pipamazine" 2180 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.646083769 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pipamazine" 2180 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 8.189095719 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pipamazine" 2180 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 7 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pipamazine" 2180 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 9.019996628 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pipamazine" 2180 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.847711656 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"pipamazine" 2180 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.864231485 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"pipamazine" 2180 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.42945706 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"pipamazine" 2180 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.75 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1909072" "Rattus norvegicus" +"pipamazine" 2180 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 8.29 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1909072" "Rattus norvegicus" +"pipamperone" 2181 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.32422161102295 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"pipamperone" 2181 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.60205984115601 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"pipamperone" 2181 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.64397430419922 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"pipamperone" 2181 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.53760194778442 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"pipamperone" 2181 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.45593214035034 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"pipamperone" 2181 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.93971300125122 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"pipamperone" 2181 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.06550168991089 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"pipamperone" 2181 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=92" "ANTAGONIST" "Tclin" "Homo sapiens" +"pipamperone" 2181 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 6.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=92" "ANTAGONIST" "Tclin" "Homo sapiens" +"pipamperone" 2181 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=92" "ANTAGONIST" "Tclin" "Homo sapiens" +"pipamperone" 2181 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=92" "ANTAGONIST" "Tclin" "Homo sapiens" +"pipamperone" 2181 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=92" "ANTAGONIST" "Tclin" "Homo sapiens" +"pipamperone" 2181 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 5.301029996 "Ki" "PDSP" "Tchem" "Homo sapiens" +"pipamperone" 2181 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 5.301029996 "Ki" "PDSP" "Tclin" "Homo sapiens" +"pipamperone" 2181 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.301029996 "Ki" "PDSP" "Tclin" "Homo sapiens" +"pipamperone" 2181 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.301029996 "Ki" "PDSP" "Tclin" "Homo sapiens" +"pipecuronium" 2183 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P17787|P43681" "CHRNA4|CHRNB2" "ACHA4_HUMAN|ACHB2_HUMAN" "WOMBAT-PK" "Tclin|Tclin" "Homo sapiens" +"pipecuronium" 2183 "Neuronal acetylcholine receptor; alpha2/beta4" "Ion channel" "P30926|Q15822" "CHRNA2|CHRNB4" "ACHA2_HUMAN|ACHB4_HUMAN" "WOMBAT-PK" "Tchem|Tclin" "Homo sapiens" +"pipecuronium" 2183 "Neuronal acetylcholine receptor; alpha4/beta4" "Ion channel" "P30926|P43681" "CHRNA4|CHRNB4" "ACHA4_HUMAN|ACHB4_HUMAN" "WOMBAT-PK" "Tclin|Tclin" "Homo sapiens" +"pipecuronium" 2183 "Acetylcholine receptor" "Ion channel" "P02708|P11230|Q07001" "CHRNA1|CHRNB1|CHRND" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200722" "ANTAGONIST" "Tclin|Tclin|Tclin" "Homo sapiens" +"piperacillin" 2187 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" +"piperacillin" 2187 "Streptokinase A" "Enzyme" "P10520" "ska" "STRP_STRP1" 6.55 "EC50" "WOMBAT-PK" "=" "Streptococcus pyogenes serotype M1" +"piperacillin" 2187 "Beta-lactamase" "Enzyme" "A2RP81" "blaPER-2" "A2RP81_CITFR" 6.7 "Ki" "Inhibition of Citrobacter freundii PER2 beta lactamase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL702" "Citrobacter freundii" +"piperacillin" 2187 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL702" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL702" "INHIBITOR" "Escherichia coli (strain K12)" +"piperazine" 2188 "Gamma-aminobutyric acid receptor subunit beta" "Ion channel" "O18276" "gab-1" "GBRB_CAEEL" "WOMBAT-PK" "Caenorhabditis elegans" +"pipotiazine palmitate" 2193 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.55284214019775 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"pipotiazine palmitate" 2193 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.69896984100342 "Ki" "PDSP" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7557" "ANTAGONIST" "Tclin" "Homo sapiens" +"pirbuterol" 2199 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1094966" "AGONIST" "Tclin" "Homo sapiens" +"pirenzepine" 2200 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.55 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"pirenzepine" 2200 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.12 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"pirenzepine" 2200 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.61 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"pirenzepine" 2200 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.68 "Ki" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=328" "ANTAGONIST" "Tclin" "Homo sapiens" +"pirenzepine" 2200 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 7.66 "IC50" "Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL9967" "Tchem" "Homo sapiens" +"pirenzepine" 2200 "Muscarinic acetylcholine receptor" "GPCR" "P12657|P32211|Q920H4|Q9ERZ3|Q9ERZ4" "Chrm1|Chrm2|Chrm3|Chrm4|Chrm5" "ACM1_MOUSE|ACM2_MOUSE|ACM3_MOUSE|ACM4_MOUSE|ACM5_MOUSE" 6.12 "IC50" "Ability (10 ug/kg) to inhibit binding of [125I]iododexetimide to muscarinic receptor in mice" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL9967" "Mus musculus" +"pirenzepine" 2200 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.76 "Ki" "Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M2 receptor expressed in CHOK1 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL9967" "Tclin" "Homo sapiens" +"pirenzepine" 2200 "Muscarinic acetylcholine receptor DM1" "GPCR" "P16395" "mAChR-A" "ACM1_DROME" 6.41 "Ki" "Displacement of [3H]AF-DX 384 from Drosophila melanogaster mAChR by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL9967" "Drosophila melanogaster" +"pirenzepine" 2200 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm2|Chrm3|Chrm4|Chrm5" "ACM1_RAT|ACM2_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT" 7.22 "Ki" "Binding affinity against Muscarinic acetylcholine receptor was determined in homogenized rat cortex tissue using [3H]N-methylscopolamine as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL9967" "Rattus norvegicus" +"pirenzepine" 2200 "Muscarinic receptor M1" "GPCR" "Q8WMX0" "Q8WMX0_BOVIN" 8.44 "Ki" "Binding affinity against Muscarinic acetylcholine receptor M1 by displacement of [3H]pirenzepine in bovine striatum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL9967" "Bos taurus" +"pirenzepine" 2200 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 8.28 "Ki" "Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 in rat cortex homogenates" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL9967" "Rattus norvegicus" +"pirenzepine" 2200 "Muscarinic acetylcholine receptor M3" "GPCR" "P08483" "Chrm3" "ACM3_RAT" 7.55 "Ki" "Ability to displace [3H]N-methylscopolamine (NMS) from M3 receptor in rat submaxillary gland homogenate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL9967" "Rattus norvegicus" +"pirenzepine" 2200 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 6.92 "Ki" "Inhibition of carbachol-induced release of alpha-amylase from pancreatic acinar cells from that of rat ileum contained the muscarinic acetylcholine receptor M2 subtypes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL9967" "Rattus norvegicus" +"pirenzepine" 2200 "Muscarinic acetylcholine receptor" "GPCR" "Q8VH26" "GPM3" "Q8VH26_CAVPO" 6.96 "Ki" "Binding affinity for muscarinic acetylcholine receptor M3 by measuring displacement of [3H]QNB from guinea pig parotid gland" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL9967" "Cavia porcellus" +"pirenzepine" 2200 "Muscarinic acetylcholine receptor M4" "GPCR" "P08485" "Chrm4" "ACM4_RAT" 6.48 "Ki" "Inhibition of binding of [3H]N-Methyl-scopolamine to muscarinic acetylcholine receptor M4 of rat heart NG108-15 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL9967" "Rattus norvegicus" +"piretanide" 2201 "Solute carrier family 12 member 1" "Transporter" "Q13621" "SLC12A1" "S12A1_HUMAN" 8.3 "Kd" "WOMBAT-PK" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01634" "INHIBITOR" "Tclin" "Homo sapiens" +"piretanide" 2201 "Solute carrier family 12 member 2" "Transporter" "P55011" "SLC12A2" "S12A2_HUMAN" 5.62 "IC50" "IUPHAR" "=" 1 "KEGG DRUG" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4742" "http://www.kegg.jp/entry/D01634" "INHIBITOR" "Tclin" "Homo sapiens" +"piribedil" 2202 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 5.21000003814697 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"piribedil" 2202 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.65999984741211 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"piribedil" 2202 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.53999996185303 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"piribedil" 2202 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.9 "Ki" "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=49" "http://www.ncbi.nlm.nih.gov/pubmed/20600305" "AGONIST" "Tclin" "Homo sapiens" +"piribedil" 2202 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=49" "ANTAGONIST" "Tclin" "Homo sapiens" +"piribedil" 2202 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.1 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=49" "ANTAGONIST" "Tclin" "Homo sapiens" +"piribedil" 2202 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=49" "AGONIST" "Tclin" "Homo sapiens" +"piribedil" 2202 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 6.5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=49" "ANTAGONIST" "Tchem" "Homo sapiens" +"piribedil" 2202 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=49" "AGONIST" "Tclin" "Homo sapiens" +"piribedil" 2202 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 6.1 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=49" "ANTAGONIST" "Tclin" "Homo sapiens" +"piribedil" 2202 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=49" "ANTAGONIST" "Tclin" "Homo sapiens" +"pirlindole" 2206 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 7.408935546875 "Ki" "Monoamine oxidase A (human liver form) inhibitor induced spectral changes" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/12781338" "http://www.ncbi.nlm.nih.gov/pubmed/9368911" "INHIBITOR" "Tclin" "Homo sapiens" +"pirmenol" 2207 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"piroxicam" 2210 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.18 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL527" "INHIBITOR" "Tclin" "Homo sapiens" +"piroxicam" 2210 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 4.7 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL527" "INHIBITOR" "Tclin" "Homo sapiens" +"piroxicam" 2210 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 4.68 "IC50" "Tested for inhibitory activity against Prostaglandin G/H synthase 1 from ovine" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL527" "Ovis aries" +"piroxicam" 2210 "Cyclooxygenase" "Enzyme" "P35355|Q63921" "Ptgs1|Ptgs2" "PGH1_RAT|PGH2_RAT" 7 "IC50" "In vitro inhibitory activity against Prostaglandin G/H synthase in rat neutrophils" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL527" "Rattus norvegicus" +"piroxicam" 2210 "Cyclooxygenase" "Enzyme" "O62664|O62698" "PTGS1|PTGS2" "PGH1_BOVIN|PGH2_BOVIN" 4.19 "IC50" "Inhibition of bovine Prostaglandin G/H synthase after oral administration" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL527" "Bos taurus" +"pirprofen" 2213 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"pirprofen" 2213 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"pitavastatin" 2214 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P04035" "HMGCR" "HMDH_HUMAN" 8.1675 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201753" "INHIBITOR" "Tclin" "Homo sapiens" +"pitavastatin" 2214 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P51639" "Hmgcr" "HMDH_RAT" 4.98 "IC50" "Inhibition of Holtzman-Sprague-Dawley rat liver HMG CoA reductase after 30 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201753" "Rattus norvegicus" +"pizotifen" 2220 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=93" "ANTAGONIST" "Tclin" "Homo sapiens" +"pizotifen" 2220 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.62 "Ki" "Binding affinity to dopamine D2 receptor (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL294951" "Tclin" "Homo sapiens" +"pizotifen" 2220 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 7.6 "Ki" "Displacement of [3H]5-HT from human 5-HT7 receptor expressed in CHO cells by liquid scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL294951" "Tclin" "Homo sapiens" +"pizotifen" 2220 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.85 "Ki" "Binding affinity to 5-HT2C receptor (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL294951" "Tclin" "Homo sapiens" +"pizotifen" 2220 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.7 "Ki" "Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by liquid scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL294951" "Tclin" "Homo sapiens" +"pizotifen" 2220 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.12 "Ki" "Binding affinity to 5-HT2A receptor (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL294951" "Tclin" "Homo sapiens" +"pizotifen" 2220 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 8.7 "Ki" "Binding affinity to muscarinic M1 receptor (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL294951" "Tclin" "Homo sapiens" +"plicamycin" 2223 "DNA" "DNA" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/1828228" "OTHER" +"polythiazide" 2228 "Solute carrier family 12 member 3" "Transporter" "P55017" "SLC12A3" "S12A3_HUMAN" 9.09 "A2" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1587" "INHIBITOR" "Tclin" "Homo sapiens" +"pralidoxime" 2231 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 4.59 "Kd" "Binding affinity to sarin-inhibited hemoglobin free human erythrocyte ghost acetylcholinesterase using acetylthiocholineiodide as substrate measured up to 1 hr by Ellman method" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL748" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL748" "ACTIVATOR" "Tclin" "Homo sapiens" +"pralmorelin" 2232 "Growth hormone secretagogue receptor type 1" "GPCR" "Q92847" "GHSR" "GHSR_HUMAN" "UNKNOWN" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/15646370" "AGONIST" "Tclin" "Homo sapiens" +"pralmorelin" 2232 "Growth hormone secretagogue receptor type 1" "Unclassified" "O08725" "Ghsr" "GHSR_RAT" 9.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1092" "AGONIST" "Rattus norvegicus" +"pramipexole" 2233 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 8.51 "Ki" "Displacement of [3H]Spiperone from D2 receptor in Sprague-Dawley rat caudate-putamen" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL301265" "Rattus norvegicus" +"pramipexole" 2233 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 9.31 "Ki" "in vitro high binding affinity was determined on human Dopamine receptor D4 expressed in chinese hamster ovary(CHO) K-1 cells using [3H]spiperone as radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL301265" "AGONIST" "Tchem" "Homo sapiens" +"pramipexole" 2233 "D(2) dopamine receptor" "GPCR" "P20288" "DRD2" "DRD2_BOVIN" 8.8 "Kd" "Binding affinity of compound against Dopamine receptor D2 was measured using [3H]pramipexole in Bovine striatal membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL301265" "Bos taurus" +"pramipexole" 2233 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 9.35 "Ki" "Displacement of [3H]R(+)-7-OH-DPAT from Sprague-Dawley rat dopamine D3 receptor after 90 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL301265" "Rattus norvegicus" +"pramipexole" 2233 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.6685 "EC50" "WOMBAT-PK" "=" "AGONIST" "Tclin" "Homo sapiens" +"pramipexole" 2233 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.6 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL301265" "AGONIST" "Tclin" "Homo sapiens" +"pramipexole" 2233 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.2 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"pramipexole" 2233 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.16 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"pramipexole" 2233 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.282329497 "Ki" "PDSP" "Tclin" "Homo sapiens" +"pramipexole" 2233 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.12090412 "Ki" "PDSP" "Tclin" "Homo sapiens" +"pramipexole" 2233 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 5.925183559 "Ki" "PDSP" "Tclin" "Homo sapiens" +"pramipexole" 2233 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 5.78 "Ki" "PDSP" "Tclin" "Homo sapiens" +"pramipexole" 2233 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.571379327 "Ki" "PDSP" "Tclin" "Homo sapiens" +"pramipexole" 2233 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 5.454940415 "Ki" "PDSP" "Tclin" "Homo sapiens" +"pramlintide" 2236 "Amylin receptor AMY1" "GPCR" "O60894|P30988" "CALCR|RAMP1" "CALCR_HUMAN|RAMP1_HUMAN" 9.44999980926514 "EC50" "HEK293S cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/24169554" "http://www.ncbi.nlm.nih.gov/pubmed/24169554" "AGONIST" "Tclin|Tclin" "Homo sapiens" +"pramlintide" 2236 "Amylin receptor AMY3" "GPCR" "O60896|P30988" "CALCR|RAMP3" "CALCR_HUMAN|RAMP3_HUMAN" 9.05000019073486 "EC50" "HEK293S cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/24169554" "http://www.ncbi.nlm.nih.gov/pubmed/24169554" "AGONIST" "Tclin|Tclin" "Homo sapiens" +"pramlintide" 2236 "Amylin receptor AMY2" "GPCR" "O60895|P30988" "CALCR|RAMP2" "CALCR_HUMAN|RAMP2_HUMAN" 8.64000034332275 "EC50" "HEK293S cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/24169554" "http://www.ncbi.nlm.nih.gov/pubmed/15494035" "AGONIST" "Tchem|Tclin" "Homo sapiens" +"pranlukast" 2237 "Cysteinyl leukotriene receptor 1" "GPCR" "Q9Y271" "CYSLTR1" "CLTR1_HUMAN" 10 "IC50" "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3634" "http://www.ncbi.nlm.nih.gov/pubmed/23859232" "ANTAGONIST" "Tclin" "Homo sapiens" +"pranlukast" 2237 "Cysteinyl leukotriene receptor 2" "GPCR" "Q9NS75" "CYSLTR2" "CLTR2_HUMAN" 5.44 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3634" "ANTAGONIST" "Tchem" "Homo sapiens" +"pranlukast" 2237 "Cruzipain" "Enzyme" "P25779" "CYSP_TRYCR" 5.15 "IC50" "Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in absence of Triton X-100" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21333" "Trypanosoma cruzi" +"pranlukast" 2237 "Cysteinyl leukotriene receptor 1" "GPCR" "Q2NNR5" "CYSLTR1" "CLTR1_CAVPO" 9.1 "Ki" "In vitro binding of Cysteinyl leukotriene receptor 1 to guinea pig lung membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21333" "Cavia porcellus" +"pranlukast" 2237 "Uracil nucleotide/cysteinyl leukotriene receptor" "GPCR" "Q13304" "GPR17" "GPR17_HUMAN" 5.39 "Ki" "Displacement of [3H]PSB-12150 from human GPR17 expressed in CHO-K1 cell membranes after 60 mins by heterologous competition binding assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21333" "Tchem" "Homo sapiens" +"pranoprofen" 2238 "Prostaglandin G/H synthase 1" "Enzyme" "Q63921" "Ptgs1" "PGH1_RAT" 6.41 "IC50" "Inhibitory activity against COX-1 from rat peritoneal leukocytes, measured by PGE-2 produced (enzyme immunoassay)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL367463" "Rattus norvegicus" +"pranoprofen" 2238 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 5.51 "IC50" "Inhibitory activity against COX-1 from ram seminal vesicles" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL367463" "Ovis aries" +"pravastatin" 2239 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P04035" "HMGCR" "HMDH_HUMAN" 7.52 "IC50" "Tested in vitro for the inhibition of HMG-CoA reductase from partially purified microsomal preparations." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL690" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL690" "INHIBITOR" "Tclin" "Homo sapiens" +"pravastatin" 2239 "Solute carrier family 22 member 6" "Transporter" "O35956" "Slc22a6" "S22A6_RAT" 4.28 "Ki" "Inhibition of rat Oat1 expressed in pig LLC-PK11 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL690" "Rattus norvegicus" +"pravastatin" 2239 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P51639" "Hmgcr" "HMDH_RAT" 8.38 "IC50" "In vitro HMG-CoA reductase inhibitory activity to inhibit sterol synthesis in cell free system in rat" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL690" "Rattus norvegicus" +"prazepam" 2240 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL969" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"praziquantel" 2241 "Glutathione S-transferase class-mu 26 kDa isozyme" "Enzyme" "P08515" "GST26_SCHJA" "WOMBAT-PK" "Schistosoma japonicum" +"praziquantel" 2241 "High voltage-activated calcium channel beta subunit CavB1" "Ion channel" "Q95US7" "Q95US7_SCHMA" "Mechanism of Action; CHEMBL2363079; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL976" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL976" "BLOCKER" "Schistosoma mansoni" +"praziquantel" 2241 "High voltage-activated calcium channel beta subunit CavB2" "Ion channel" "Q962H3" "Q962H3_SCHMA" "Mechanism of Action; CHEMBL2363080; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL976" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL976" "BLOCKER" "Schistosoma mansoni" +"praziquantel" 2241 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 4.01000022888184 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL976" "Tchem" "Homo sapiens" +"prednicarbate" 2243 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action; CHEMBL2034; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200386" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200386" "AGONIST" "Tclin" "Homo sapiens" +"prednisolone" 2245 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 7.8 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL131" "AGONIST" "Tclin" "Homo sapiens" +"prednisolone" 2245 "Annexin A1" "Cytosolic other" "P04083" "ANXA1" "ANXA1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"prednisolone" 2245 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 9.54 "Ki" "Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL131" "Tclin" "Homo sapiens" +"prednisolone" 2245 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 5.6 "Ki" "Displacement of [3H]-methyltrienolone from human androgen receptor expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL131" "Tclin" "Homo sapiens" +"prednisolone" 2245 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 5.58 "Ki" "Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP high binding affinity site expressed in Escherichia coli BL21 by competitive fluorescence displacement assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL131" "Rattus norvegicus" +"prednisolone" 2245 "Glucocorticoid receptor" "Transcription factor" "P06537" "Nr3c1" "GCR_MOUSE" 8.47 "EC50" "Inhibition of mouse glutamine synthetase by GR-mediated transactivation in C2C12 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL131" "Mus musculus" +"prednisolone" 2245 "Glutamine synthetase" "Enzyme" "P15104" "GLUL" "GLNA_HUMAN" 7.49 "EC50" "Ability to induce human glutamine synthetase in skeletal muscle cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL131" "Tchem" "Homo sapiens" +"prednisolone" 2245 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 7.51 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL131" "Tbio" "Homo sapiens" +"prednisolone" 2245 "Interleukin-6" "Cytokine" "P05231" "IL6" "IL6_HUMAN" 8.38 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL131" "Tclin" "Homo sapiens" +"prednisolone" 2245 "Disintegrin and metalloproteinase domain-containing protein 17" "Unclassified" "P78536" "ADAM17" "ADA17_HUMAN" 7.83 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL131" "Homo sapiens" +"prednisolone acetate" 2247 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action; CHEMBL2034; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1152" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1152" "AGONIST" "Tclin" "Homo sapiens" +"prednisolone tebutate" 2251 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 9.28 "IC50" "BindingDB_Patents: Fluorescence Polarization Ligand Binding Assay. The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-length glucocorticoid (GR) protein. Reagents for this assay are purchased from Invitrogen in a test kit. A fluorescent labeled GR ligand is used as a fluorescent tracer and test compounds compete with the fluorescent tracer for GR binding. The change in polarization value in the presence of test compounds is due to binding of test compounds to GR and is used to determine IC50 and relative binding affinity of test compounds for GR." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL131" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL131" "AGONIST" "Tclin" "Homo sapiens" +"prednisolone tebutate" 2251 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 5.6 "Ki" "Displacement of [3H]-methyltrienolone from human androgen receptor expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL131" "Tclin" "Homo sapiens" +"prednisolone tebutate" 2251 "Glutamine synthetase" "Enzyme" "P15104" "GLUL" "GLNA_HUMAN" 7.5 "EC50" "Ability to induce human glutamine synthetase in skeletal muscle cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL131" "Tchem" "Homo sapiens" +"prednisolone tebutate" 2251 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 7.51 "Ki" "Binding affinity to human CBG receptor (corticosteroid-binding globulins)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL131" "Tbio" "Homo sapiens" +"prednisolone tebutate" 2251 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 9.54 "Ki" "Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL131" "Tclin" "Homo sapiens" +"prednisolone tebutate" 2251 "Glucocorticoid receptor" "Transcription factor" "P06537" "Nr3c1" "GCR_MOUSE" 8.47 "EC50" "Inhibition of mouse glutamine synthetase by GR-mediated transactivation in C2C12 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL131" "Mus musculus" +"prednisolone tebutate" 2251 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 5.58 "Ki" "Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP high binding affinity site expressed in Escherichia coli BL21 by competitive fluorescence displacement assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL131" "Rattus norvegicus" +"prednisone" 2253 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL635" "AGONIST" "Tclin" "Homo sapiens" +"prednisone" 2253 "Sodium/nucleoside cotransporter 1" "Transporter" "O00337" "SLC28A1" "S28A1_HUMAN" 5.771599641 "Ki" "DRUGMATRIX: Sodium/nucleoside co-transporter radioligand binding (ligand: nitrobenzylthioinosine)" "DRUG MATRIX" "=" "Tbio" "Homo sapiens" +"prednisone" 2253 "Annexin A1" "Cytosolic other" "P04083" "ANXA1" "ANXA1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"pregabalin" 2255 "Voltage-dependent calcium channel subunit alpha-2/delta-1" "Ion channel" "P54289" "CACNA2D1" "CA2D1_HUMAN" 7.0969 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1059" "MODULATOR" "Tclin" "Homo sapiens" +"pregabalin" 2255 "Uncharacterized protein; Voltage-dependent calcium channel alpha-2 delta subunit" "Ion channel" "O77773" "CACNA2D1" "O77773_PIG" 7.14 "IC50" "Displacement of [3H]gabapentin from alpha-2delta calcium channel in pig brain membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1059" "Sus scrofa" +"pregabalin" 2255 "Large neutral amino acids transporter small subunit 1" "Transporter" "Q01650" "SLC7A5" "LAT1_HUMAN" 3.8013 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"pregabalin" 2255 "Voltage-dependent calcium channel subunit alpha-2/delta-2" "Ion channel" "Q9NY47" "CACNA2D2" "CA2D2_HUMAN" 7.25963735580444 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/21651903" "http://www.ncbi.nlm.nih.gov/pubmed/21651903" "MODULATOR" "Tclin" "Homo sapiens" +"pregnenolone succinate" 2256 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 7.15 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL253363" "Tchem" "Homo sapiens" +"pregnenolone succinate" 2256 "Glucose-6-phosphate 1-dehydrogenase" "Enzyme" "P11413" "G6PD" "G6PD_HUMAN" 4.09 "IC50" "Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 mins by Amplite fluorimetric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL253363" "Tchem" "Homo sapiens" +"pregnenolone succinate" 2256 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 5.23 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL253363" "Tbio" "Homo sapiens" +"prenalterol" 2258 "Beta-2 adrenergic receptor" "GPCR" "Q28044" "ADRB2" "ADRB2_BOVIN" 5.97 "Kd" "Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1160714" "Bos taurus" +"prenalterol" 2258 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.6 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"prenylamine" 2261 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 6.52 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24072" "Tclin|Tclin|Tclin" "Homo sapiens" +"prenylamine" 2261 "Voltage-gated L-type calcium channel" "Ion channel" "P22002|P27732|Q02485" "Cacna1c|Cacna1d|Cacna1s" "CAC1C_RAT|CAC1D_RAT|CAC1S_RAT" 6.68 "Kd" "Inhibition of [3H]nitrendipine binding to calcium channel of rat brain membranes." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24072" "Rattus norvegicus" +"pridinol" 2263 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 8.19381999969482 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"pridinol" 2263 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 8.79588031768799 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"pridinol" 2263 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.79860305786133 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"pridinol" 2263 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.58502674102783 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"pridinol" 2263 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 8.14999961853027 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"prilocaine" 2265 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.26999998092651 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1194" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1194" "BLOCKER" "Tclin|Tclin|Tclin" "Homo sapiens" +"primaquine" 2266 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 8.075204004 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"primaquine" 2266 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 6.738975166 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"primaquine" 2266 "Chloroquine resistance transporter" "Unclassified" "Q9N623" "CRT" "CRT_PLAFA" 4.17 "IC50" "Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes plasma membrane assessed as reduction of [3H]-chloroquine transportation after 1 to 2 hrs" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL506" "Plasmodium falciparum" +"primaquine" 2266 "Ribosyldihydronicotinamide dehydrogenase [quinone]" "Enzyme" "P16083" "NQO2" "NQO2_HUMAN" 5.12 "IC50" "Inhibition of human recombinant NQO2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL506" "Tchem" "Homo sapiens" +"primaquine" 2266 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 4.12 "IC50" "Inhibition of human recombinant MAOA assessed as conversion of kynuramine to 4-hydroxyquinoline preincubated for 15 mins by fluorimetric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL506" "Tclin" "Homo sapiens" +"primaquine" 2266 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 4.02 "IC50" "Inhibition of human recombinant MAOB assessed as conversion of kynuramine to 4-hydroxyquinoline preincubated for 15 mins by fluorimetric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL506" "Tclin" "Homo sapiens" +"primaquine" 2266 "Heat shock protein HSP 90-alpha" "Cytosolic other" "P07900" "HSP90AA1" "HS90A_HUMAN" 8.2218 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"primaquine" 2266 "Hemoglobin subunit alpha" "Secreted" "P69905" "HBA1" "HBA_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"primaquine" 2266 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.6676 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"primaquine" 2266 "Aryl hydrocarbon receptor" "Transcription factor" "P35869" "AHR" "AHR_HUMAN" 5.3279 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"primaquine" 2266 "Glucose-6-phosphate 1-dehydrogenase" "Enzyme" "P11413" "G6PD" "G6PD_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"primidone" 2267 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL856" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"probenecid" 2268 "Solute carrier family 22 member 8" "Transporter" "Q8TCC7" "SLC22A8" "S22A8_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL897" "INHIBITOR" "Tclin" "Homo sapiens" +"probenecid" 2268 "Solute carrier family 22 member 11" "Transporter" "Q9NSA0" "SLC22A11" "S22AB_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB01032" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL897" "INHIBITOR" "Tclin" "Homo sapiens" +"probenecid" 2268 "Solute carrier family 22 member 12" "Transporter" "Q96S37" "SLC22A12" "S22AC_HUMAN" 4.3 "IC50" "Inhibition of human URAT1-mediated urate uptake in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL897" "Tclin" "Homo sapiens" +"probenecid" 2268 "UDP-glucuronosyltransferase 1-7" "Enzyme" "Q9HAW7" "UGT1A7" "UD17_HUMAN" 4.02 "Ki" "Inhibition of 4-methylumbelliferone glucuronidation by human recombinant UGT1A7" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL897" "Tbio" "Homo sapiens" +"probenecid" 2268 "Solute carrier family 22 member 20" "Transporter" "Q80UJ1" "Slc22a20" "S22AK_MOUSE" 5.08 "Ki" "Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL897" "Mus musculus" +"probenecid" 2268 "Solute carrier family 22 member 6" "Transporter" "Q8VC69" "Slc22a6" "S22A6_MOUSE" 5.2 "Ki" "Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL897" "Mus musculus" +"probenecid" 2268 "Solute carrier family 22 member 6" "Transporter" "Q4U2R8" "SLC22A6" "S22A6_HUMAN" 4.9 "IC50" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4357" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL897" "INHIBITOR" "Tclin" "Homo sapiens" +"probenecid" 2268 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.90000009536743 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL897" "Tclin" "Homo sapiens" +"probenecid" 2268 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 6.44000005722046 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL897" "Tclin" "Homo sapiens" +"probenecid" 2268 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 6.36999988555908 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL897" "Tclin" "Homo sapiens" +"probenecid" 2268 "Transient receptor potential cation channel subfamily V member 2" "Unclassified" "Q9WUD2" "Trpv2" "TRPV2_RAT" 4.5 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4357" "ACTIVATOR" "Rattus norvegicus" +"probucol" 2269 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.6861 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"probucol" 2269 "Arachidonate 15-lipoxygenase" "Enzyme" "P16050" "ALOX15" "LOX15_HUMAN" 4.85 "IC50" "Inhibition of 15-lipoxygenase by LMB assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608" "Tchem" "Homo sapiens" +"probucol" 2269 "ATP-binding cassette sub-family A member 1" "Transporter" "O95477" "ABCA1" "ABCA1_HUMAN" "Mechanism of Action; CHEMBL2362986; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608" "INHIBITOR" "Tclin" "Homo sapiens" +"procainamide" 2270 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.8124794960022 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"procainamide" 2270 "Acetylcholinesterase" "Enzyme" "P23795" "ACHE" "ACES_BOVIN" 6 "Ki" "Binding affinity against Acetylcholinesterase of purified calf forebrain (CFB)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL605" "Bos taurus" +"procainamide" 2270 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 6 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"procainamide" 2270 "DNA (cytosine-5)-methyltransferase 3B" "Enzyme" "Q9UBC3" "DNMT3B" "DNM3B_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"procainamide" 2270 "DNA (cytosine-5)-methyltransferase 3A" "Enzyme" "Q9Y6K1" "DNMT3A" "DNM3A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"procainamide" 2270 "DNA (cytosine-5)-methyltransferase 1" "Enzyme" "P26358" "DNMT1" "DNMT1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"procainamide" 2270 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 3.86 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"procainamide" 2270 "Sodium channel alpha subunit" "Ion channel" "P35498|P35499|Q01118|Q14524|Q15858|Q99250|Q9NY46|Q9UI33|Q9UQD0|Q9Y5Y9" "SCN10A|SCN11A|SCN1A|SCN2A|SCN3A|SCN4A|SCN5A|SCN7A|SCN8A|SCN9A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN|SCN4A_HUMAN|SCN5A_HUMAN|SCN7A_HUMAN|SCN8A_HUMAN|SCN9A_HUMAN|SCNAA_HUMAN|SCNBA_HUMAN" "Mechanism of Action" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL605" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL605" "BLOCKER" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"procaine" 2271 "Sodium channel protein type 10 subunit alpha" "Ion channel" "Q9Y5Y9" "SCN10A" "SCNAA_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00721" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL569" "BLOCKER" "Tclin" "Homo sapiens" +"procaine" 2271 "Acetylcholine receptor" "Ion channel" "P02708|P11230|Q07001" "CHRNA1|CHRNB1|CHRND" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN" 4.342 "IC50" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin" "Homo sapiens" +"procaine" 2271 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 5.5686 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"procaine" 2271 "Ryanodine receptor 1" "Ion channel" "P21817" "RYR1" "RYR1_HUMAN" 2.2218 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"procaine" 2271 "Glutamate receptor ionotropic, NMDA 3A" "Ion channel" "Q8TCU5" "GRIN3A" "NMD3A_HUMAN" 3.5287 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"procarbazine" 2272 "DNA" "DNA" "Mechanism of Action" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1321" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1321" "OTHER" +"procaterol" 2273 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 8.43 "EC50" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3464" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3464" "AGONIST" "Tclin" "Homo sapiens" +"prochlorperazine" 2274 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.22914791107178 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"prochlorperazine" 2274 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.107905397 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"prochlorperazine" 2274 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.200659451 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"prochlorperazine" 2274 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.638272164 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"prochlorperazine" 2274 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.819845441 "Ki" "DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"prochlorperazine" 2274 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.2069084 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"prochlorperazine" 2274 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.402304814 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"prochlorperazine" 2274 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.187086643 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"prochlorperazine" 2274 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.906578315 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"prochlorperazine" 2274 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 8.324221658 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"prochlorperazine" 2274 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.612610174 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"prochlorperazine" 2274 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.955852379 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"prochlorperazine" 2274 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.493494968 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"prochlorperazine" 2274 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.721246399 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"prochlorperazine" 2274 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.801342913 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"prochlorperazine" 2274 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.920818754 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"prochlorperazine" 2274 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.860435734 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"prochlorperazine" 2274 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.522878745 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"prochlorperazine" 2274 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.886056648 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"prochlorperazine" 2274 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 5.698970004 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"prochlorperazine" 2274 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.245345931 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"prochlorperazine" 2274 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 6.71219827 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808)" "DRUG MATRIX" "=" "Cavia porcellus" +"prochlorperazine" 2274 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.30980392 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"prochlorperazine" 2274 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.919012953 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"prochlorperazine" 2274 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.380906669 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"prochlorperazine" 2274 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.7642 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL728" "ANTAGONIST" "Tclin" "Homo sapiens" +"prochlorperazine" 2274 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.17 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"prochlorperazine" 2274 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.7228 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"prochlorperazine" 2274 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.611 "Ki" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7279" "ANTAGONIST" "Tclin" "Homo sapiens" +"prochlorperazine" 2274 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.6216 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"prochlorperazine" 2274 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.9136 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"prochlorperazine" 2274 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.824 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"prochlorperazine" 2274 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.3 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL728" "Tchem" "Homo sapiens" +"prochlorperazine" 2274 "Pleiotropic ABC efflux transporter of multiple drugs" "Transporter" "P33302" "PDR5" "PDR5_YEAST" 5.77 "IC50" "Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL728" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"prochlorperazine" 2274 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.02 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL728" "Rattus norvegicus" +"prochlorperazine" 2274 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.49 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL728" "Rattus norvegicus" +"procyclidine" 2276 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.906578540802 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"procyclidine" 2276 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 8.33724212646484 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1761" "ANTAGONIST" "Tclin" "Homo sapiens" +"procyclidine" 2276 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.619788646698 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"procyclidine" 2276 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.1549015045166 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"procyclidine" 2276 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.60205984115601 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"procyclidine" 2276 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 5.17 "IC50" "Displacement of [3H]mepyramine from histamine H1 receptor in Sprague-Dawley rat brain membrane after 2 hr by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1761" "Rattus norvegicus" +"procyclidine" 2276 "Glutamate [NMDA] receptor" "Ion channel" "O15399|O60391|Q05586|Q12879|Q13224|Q14957|Q8TCU5" "GRIN1|GRIN2A|GRIN2B|GRIN2C|GRIN2D|GRIN3A|GRIN3B" "NMD3A_HUMAN|NMD3B_HUMAN|NMDE1_HUMAN|NMDE2_HUMAN|NMDE3_HUMAN|NMDE4_HUMAN|NMDZ1_HUMAN" 5.77 "Ki" "The compound was tested for its ability to block PCP N-methyl-D-aspartate glutamate receptor at the PCP (phencyclidine) binding site in postmortem human frontal cortex." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1761" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"progabide" 2278 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 4.3979 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin" "Homo sapiens" +"progabide" 2278 "GABA-A receptor; anion channel" "Ion channel" "O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14" "Gabra1|Gabra2|Gabra3|Gabra4|Gabra5|Gabra6|Gabrb1|Gabrb2|Gabrb3|Gabrd|Gabre|Gabrg1|Gabrg2|Gabrg3|Gabrp|Gabrq" "GBRA1_RAT|GBRA2_RAT|GBRA3_RAT|GBRA4_RAT|GBRA5_RAT|GBRA6_RAT|GBRB1_RAT|GBRB2_RAT|GBRB3_RAT|GBRD_RAT|GBRE_RAT|GBRG1_RAT|GBRG2_RAT|GBRG3_RAT|GBRP_RAT|Q91ZM7_RAT" 4.85 "Ki" "Displacement of [3H]gamma-amino butyric acid from Gamma-aminobutyric acid (GABA-A) receptor of rat ganglion neurons" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL287631" "Rattus norvegicus" +"progabide" 2278 "GABA-A receptor; anion channel" "Ion channel" "O00591|O14764|P14867|P18505|P18507|P28472|P31644|P34903|P47869|P47870|P48169|P78334|Q16445|Q8N1C3|Q99928|Q9UN88" "GABRA1|GABRA2|GABRA3|GABRA4|GABRA5|GABRA6|GABRB1|GABRB2|GABRB3|GABRD|GABRE|GABRG1|GABRG2|GABRG3|GABRP|GABRQ" "GBRA1_HUMAN|GBRA2_HUMAN|GBRA3_HUMAN|GBRA4_HUMAN|GBRA5_HUMAN|GBRA6_HUMAN|GBRB1_HUMAN|GBRB2_HUMAN|GBRB3_HUMAN|GBRD_HUMAN|GBRE_HUMAN|GBRG1_HUMAN|GBRG2_HUMAN|GBRG3_HUMAN|GBRP_HUMAN|GBRT_HUMAN" 4.40000009536743 "Ki" "Displacement of [3H]gamma-amino butyric acid from Gamma-aminobutyric acid (GABA-A) receptor of human cerebellar cortex preparation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL287631" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"progesterone" 2279 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 9.8761 "ED50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL103" "AGONIST" "Tclin" "Homo sapiens" +"progesterone" 2279 "Sodium/nucleoside cotransporter 1" "Transporter" "O00337" "SLC28A1" "S28A1_HUMAN" 5.173730781 "Ki" "DRUGMATRIX: Sodium/nucleoside co-transporter radioligand binding (ligand: nitrobenzylthioinosine)" "DRUG MATRIX" "=" "Tbio" "Homo sapiens" +"progesterone" 2279 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 8.441291429 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"progesterone" 2279 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 6.94 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL103" "Tchem" "Homo sapiens" +"progesterone" 2279 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 4.32 "IC50" "Inhibition of P-glycoprotein expressed in A2780/ADR cells by calcein AM assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL103" "Tchem" "Homo sapiens" +"progesterone" 2279 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 7.52 "Ki" "Displacement of Dexamethasone from human glucocorticoid receptor expressed in baculovirus SF-12 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL103" "Tclin" "Homo sapiens" +"progesterone" 2279 "Progesterone receptor" "Transcription factor" "P06186" "PGR" "PRGR_RABIT" 7.98 "Ki" "Inhibition of [3H]R5020 binding to rabbit uterine progesterone receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL103" "Oryctolagus cuniculus" +"progesterone" 2279 "Sterol O-acyltransferase 1" "Enzyme" "P35610" "SOAT1" "SOAT1_HUMAN" 4.77 "IC50" "In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL103" "Tchem" "Homo sapiens" +"progesterone" 2279 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 8.07 "Ki" "Displacement of DHT from human androgen receptor expressed in baculovirus SF-12 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL103" "Tclin" "Homo sapiens" +"progesterone" 2279 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 7.57 "Ki" "Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP high binding affinity site expressed in Escherichia coli BL21 by competitive fluorescence displacement assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL103" "Rattus norvegicus" +"progesterone" 2279 "Androgen receptor" "Transcription factor" "P19091" "Ar" "ANDR_MOUSE" 7.43 "IC50" "Inhibitory activity against Androgen receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL103" "Mus musculus" +"progesterone" 2279 "Estrogen receptor" "Transcription factor" "P06211|Q62986" "Esr1|Esr2" "ESR1_RAT|ESR2_RAT" 8.41 "Kd" "Equilibrium dissociation constant for rat uterine estrogen receptor binding [3H]estradiol" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL103" "Rattus norvegicus" +"progesterone" 2279 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.81 "IC50" "Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL103" "Rattus norvegicus" +"progesterone" 2279 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.59 "Ki" "Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL103" "Tclin" "Homo sapiens" +"progesterone" 2279 "Fatty acid-binding protein, intestinal" "Cytosolic other" "P12104" "FABP2" "FABPI_HUMAN" 4.7 "Ki" "Displacement of 1-anilinonaphthalene-8-sulphonic acid from I-FABP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL103" "Tchem" "Homo sapiens" +"progesterone" 2279 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q9R0C9" "Sigmar1" "SGMR1_RAT" 6.62 "Kd" "Displacement of [3H]pentazocine from sigma-1 opioid receptor in rat liver membranes after 1 hr by liquid scintillation spectrometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL103" "Rattus norvegicus" +"progesterone" 2279 "Steroid 5-alpha-reductase" "Enzyme" "P24008|P31214" "Srd5a1|Srd5a2" "S5A1_RAT|S5A2_RAT" 5.8 "IC50" "Inhibition of rat testosterone-5 alpha-reductase activity at pH 6.6 from rat" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL103" "Rattus norvegicus" +"progesterone" 2279 "Sigma non-opioid intracellular receptor 1" "Membrane other" "Q60492" "SIGMAR1" "SGMR1_CAVPO" 6.18 "Ki" "Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL103" "Cavia porcellus" +"progesterone" 2279 "C-8 sterol isomerase" "Enzyme" "P32352" "ERG2" "ERG2_YEAST" 5.35 "Ki" "Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL103" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"progesterone" 2279 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 11 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"progesterone" 2279 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"progesterone" 2279 "Short transient receptor potential channel 5" "Ion channel" "Q9UL62" "TRPC5" "TRPC5_HUMAN" 5.3 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2377" "BLOCKER" "Tchem" "Homo sapiens" +"progesterone" 2279 "Cation channel sperm-associated protein 1" "Ion channel" "Q8NEC5" "CATSPER1" "CTSR1_HUMAN" 8.11 "EC50" "Patch clamp electrophysiology, kinetic rapid mixing fluorometry, 2-3 µM shows the saturating efficacy." "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2377" "ACTIVATOR" "Tchem" "Homo sapiens" +"progesterone" 2279 "Cation channel sperm-associated protein 4" "Ion channel" "Q7RTX7" "CATSPER4" "CTSR4_HUMAN" 8.11 "EC50" "Patch clamp electrophysiology, kinetic rapid mixing fluorometry, 2-3µM shows the saturating efficacy." "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2377" "ACTIVATOR" "Tchem" "Homo sapiens" +"progesterone" 2279 "Cation channel sperm-associated protein 2" "Ion channel" "Q96P56" "CATSPER2" "CTSR2_HUMAN" 8.11 "EC50" "Patch clamp electrophysiology, kinetic rapid mixing fluorometry; 2-3 µM shows the saturating efficacy." "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2377" "ACTIVATOR" "Tchem" "Homo sapiens" +"progesterone" 2279 "Cation channel sperm-associated protein 3" "Ion channel" "Q86XQ3" "CATSPER3" "CTSR3_HUMAN" 8.11 "EC50" "Patch clamp electrophysiology, kinetic rapid mixing fluorometry, 2-3µM shows the saturating efficacy." "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2377" "ACTIVATOR" "Tchem" "Homo sapiens" +"progesterone" 2279 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 7.38 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL103" "Tbio" "Homo sapiens" +"proglumide" 2281 "Histamine H2 receptor" "Unclassified" "P25102" "Hrh2" "HRH2_RAT" 2.6 "IC50" "Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL316561" "Rattus norvegicus" +"proglumide" 2281 "Gastrin/cholecystokinin type B receptor" "GPCR" "P32239" "CCKBR" "GASR_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/2863192" "http://www.ncbi.nlm.nih.gov/pubmed/2863192" "ANTAGONIST" "Tclin" "Homo sapiens" +"proguanil" 2282 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "O02604" "DRTS_PLAVI" "WOMBAT-PK" "Plasmodium vivax" +"proguanil" 2282 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "Q0IJY2" "Q0IJY2_PLAMA" "WOMBAT-PK" "Plasmodium malariae" +"proguanil" 2282 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "P13922" "DRTS_PLAFK" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB01131" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1377" "INHIBITOR" "Plasmodium falciparum" +"promazine" 2284 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.909389292 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promazine" 2284 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.899629455 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promazine" 2284 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.943095149 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promazine" 2284 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.337242168 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promazine" 2284 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.886056648 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promazine" 2284 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.529442515 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promazine" 2284 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.655607726 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promazine" 2284 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.283996656 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promazine" 2284 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.896196279 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"promazine" 2284 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.55129368 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promazine" 2284 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.412289035 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promazine" 2284 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.055517328 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promazine" 2284 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.37675071 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promazine" 2284 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.337242168 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promazine" 2284 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.431798276 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promazine" 2284 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.522878745 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promazine" 2284 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.427128398 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promazine" 2284 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.343901798 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"promazine" 2284 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 5.80631897 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"promazine" 2284 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd2|Drd3|Drd4|Drd5" "DRD1_RAT|DRD2_RAT|DRD3_RAT|DRD4_RAT|DRD5_RAT" 5.98 "IC50" "Compound was tested for inhibition of [3H]spiperone binding in membrane preparations obtained from rat corpus striatum." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL564" "Rattus norvegicus" +"promazine" 2284 "Trypanothione reductase" "Enzyme" "P28593" "TPR" "TYTR_TRYCR" 4.23 "Ki" "Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase (linear competitive type)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL564" "Trypanosoma cruzi" +"promazine" 2284 "Pleiotropic ABC efflux transporter of multiple drugs" "Transporter" "P33302" "PDR5" "PDR5_YEAST" 4.95 "IC50" "Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL564" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"promazine" 2284 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.76 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL564" "Tchem" "Homo sapiens" +"promazine" 2284 "Dopamine receptor" "GPCR" "P20288|Q95136" "DRD1|DRD2" "DRD1_BOVIN|DRD2_BOVIN" 6.89 "IC50" "Compound was tested for inhibition of [3H]spiperone binding in membrane preparations obtained from calf caudate." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL564" "Bos taurus" +"promazine" 2284 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.27 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL564" "Tclin|Tclin|Tclin" "Homo sapiens" +"promazine" 2284 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 5.9 "IC50" "Displacement of [3H]mepyramine from histamine H1 receptor in Sprague-Dawley rat brain membrane after 2 hr by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL564" "Rattus norvegicus" +"promazine" 2284 "Major prion protein" "Surface antigen" "P04156" "PRNP" "PRIO_HUMAN" 5.3 "EC50" "Half maximal inhibition of Prion protein PrPsc formation was assayed in ScN2a cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL564" "Tchem" "Homo sapiens" +"promazine" 2284 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.7986 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"promazine" 2284 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.7959 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL564" "ANTAGONIST" "Tclin" "Homo sapiens" +"promazine" 2284 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.7037 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL564" "ANTAGONIST" "Tclin" "Homo sapiens" +"promazine" 2284 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 5.7959 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"promazine" 2284 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.825 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"promazine" 2284 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.699 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"promazine" 2284 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.5 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"promazine" 2284 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.2262 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"promazine" 2284 "FAD-linked sulfhydryl oxidase ALR" "Enzyme" "P55789" "GFER" "ALR_HUMAN" 5.8899998664856 "AC50" "PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL564" "Tchem" "Homo sapiens" +"promazine" 2284 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.29 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL564" "Rattus norvegicus" +"promazine" 2284 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 8.03 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL564" "Rattus norvegicus" +"promegestone" 2285 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 9.4 "Kd" "Binding affinity to progesterone receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL196003" "Tclin" "Homo sapiens" +"promegestone" 2285 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.88 "IC50" "Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL196003" "Rattus norvegicus" +"promethazine" 2286 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 9.6198 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL643" "ANTAGONIST" "Tclin" "Homo sapiens" +"promethazine" 2286 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.862645889 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promethazine" 2286 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.591760035 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promethazine" 2286 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.920818754 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promethazine" 2286 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.37644061 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promethazine" 2286 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.828566099 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promethazine" 2286 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.366531544 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promethazine" 2286 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.188424994 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promethazine" 2286 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.9476909 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"promethazine" 2286 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.619788758 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promethazine" 2286 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.721246399 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promethazine" 2286 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.940815382 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promethazine" 2286 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 8.478861916 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promethazine" 2286 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.920818754 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promethazine" 2286 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 8.381951903 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promethazine" 2286 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.974694135 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promethazine" 2286 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 8.480172006 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promethazine" 2286 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.452225295 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promethazine" 2286 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.494850022 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"promethazine" 2286 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.677780705 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"promethazine" 2286 "Chloroquine resistance transporter" "Unclassified" "Q9N623" "CRT" "CRT_PLAFA" 4.07 "IC50" "Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes plasma membrane assessed as reduction of [3H]-chloroquine transportation after 1 to 2 hrs" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL643" "Plasmodium falciparum" +"promethazine" 2286 "Pleiotropic ABC efflux transporter of multiple drugs" "Transporter" "P33302" "PDR5" "PDR5_YEAST" 4.75 "IC50" "Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL643" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"promethazine" 2286 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.45 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL643" "Tchem" "Homo sapiens" +"promethazine" 2286 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.16 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL643" "Tclin|Tclin|Tclin" "Homo sapiens" +"promethazine" 2286 "Major prion protein" "Surface antigen" "P04156" "PRNP" "PRIO_HUMAN" 5.1 "EC50" "Half maximal inhibition of Prion protein PrPsc formation was assayed in ScN2a cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL643" "Tchem" "Homo sapiens" +"promethazine" 2286 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.12 "IC50" "Binding affinity to SERT (unknown origin) by radioligand binding assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL643" "Tclin" "Homo sapiens" +"promethazine" 2286 "Cholinesterase" "Enzyme" "P06276" "BCHE" "CHLE_HUMAN" 7.1 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"promethazine" 2286 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"promethazine" 2286 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.7696 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"promethazine" 2286 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 6.2924 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"promethazine" 2286 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 6.8233 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"promethazine" 2286 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.6094 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"promethazine" 2286 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.4202 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"promethazine" 2286 "FAD-linked sulfhydryl oxidase ALR" "Enzyme" "P55789" "GFER" "ALR_HUMAN" 6.44000005722046 "AC50" "PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL643" "Tchem" "Homo sapiens" +"promethazine" 2286 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.59 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL643" "Rattus norvegicus" +"promethazine" 2286 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.1 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL643" "Rattus norvegicus" +"pronetalol" 2289 "Beta-2 adrenergic receptor" "GPCR" "Q28044" "ADRB2" "ADRB2_BOVIN" 6.8 "Kd" "Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL16476" "Bos taurus" +"propafenone" 2291 "Potassium voltage-gated channel subfamily A member 5" "Ion channel" "P22460" "KCNA5" "KCNA5_HUMAN" 4.4 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2561" "BLOCKER" "Tclin" "Homo sapiens" +"propafenone" 2291 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.688246139 "Ki" "DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL631" "ANTAGONIST" "Tclin" "Homo sapiens" +"propafenone" 2291 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 7.443697499 "Ki" "DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177)" "DRUG MATRIX" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"propafenone" 2291 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 5.959793372 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"propafenone" 2291 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.524183587 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"propafenone" 2291 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.029188389 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"propafenone" 2291 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.728158393 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"propafenone" 2291 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.236572006 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"propafenone" 2291 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.696803943 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"propafenone" 2291 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.062983893 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"propafenone" 2291 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 6.49757288 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"propafenone" 2291 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.828566099 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"propafenone" 2291 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.336921287 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"propafenone" 2291 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.604149624 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"propafenone" 2291 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 5.482540173 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"propafenone" 2291 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 5.848936747 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"propafenone" 2291 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.6021 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"propafenone" 2291 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4" "Ion channel" "Q9Y3Q4" "HCN4" "HCN4_HUMAN" 4.8447 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"propafenone" 2291 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 5.6021 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"propafenone" 2291 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 7.0555 "ED50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"propafenone" 2291 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.0969 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"propafenone" 2291 "Sodium channel subunit beta-4" "Ion channel" "Q8IWT1" "SCN4B" "SCN4B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"propafenone" 2291 "Sodium channel subunit beta-3" "Ion channel" "Q9NY72" "SCN3B" "SCN3B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"propafenone" 2291 "Sodium channel subunit beta-1" "Ion channel" "Q07699" "SCN1B" "SCN1B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"propafenone" 2291 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.95 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL631" "Tchem" "Homo sapiens" +"propafenone" 2291 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" 5.48 "IC50" "Inhibition of human cloned Nav1.5 channel expressed in chinese hamster CHO cells assessed as tonic inhibition after 5 mins by patch clamp assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL631" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL631" "BLOCKER" "Tclin" "Homo sapiens" +"propafenone" 2291 "Sulfonylurea receptor 2, Kir6.2" "Ion channel" "O60706|Q14654" "ABCC9|KCNJ11" "ABCC9_HUMAN|KCJ11_HUMAN" 5.66 "IC50" "Inhibition of human kir6.2/SUR2A ion channel coexpressed in human HEK293 cells after 5 mins by patch clamp assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL631" "Tclin|Tclin" "Homo sapiens" +"propafenone" 2291 "Sodium channel subunit beta-2" "Ion channel" "O60939" "SCN2B" "SCN2B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"propafenone" 2291 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.79 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL631" "Rattus norvegicus" +"propafenone" 2291 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 5.21 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL631" "Rattus norvegicus" +"propantheline" 2293 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 10.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=329" "ANTAGONIST" "Tclin" "Homo sapiens" +"propantheline" 2293 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 10 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=329" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1240" "ANTAGONIST" "Tclin" "Homo sapiens" +"propantheline" 2293 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 9.7 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=329" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1240" "ANTAGONIST" "Tclin" "Homo sapiens" +"propantheline" 2293 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 9.5 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=329" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1240" "ANTAGONIST" "Tclin" "Homo sapiens" +"proparacaine" 2294 "Sodium channel protein type 10 subunit alpha" "Ion channel" "Q9Y5Y9" "SCN10A" "SCNAA_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00807" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1196" "BLOCKER" "Tclin" "Homo sapiens" +"proparacaine" 2294 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"proparacaine" 2294 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 5.750312572 "IC50" "DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"proparacaine" 2294 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.72 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1196" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1196" "BLOCKER" "Tclin|Tclin|Tclin" "Homo sapiens" +"propentofylline" 2296 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 5.19 "IC50" "Inhibition of human AChE using acetylthiocholine iodide as substrate treated 5 mins before substrate addition measured up to 4 mins by Ellman's method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1079905" "Tclin" "Homo sapiens" +"propiomazine" 2298 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL252103" "ANTAGONIST" "Tclin" "Homo sapiens" +"propiomazine" 2298 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"propiomazine" 2298 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"propiomazine" 2298 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"propiomazine" 2298 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"propiomazine" 2298 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"propiomazine" 2298 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"propiomazine" 2298 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"propiomazine" 2298 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"propiomazine" 2298 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"propiomazine" 2298 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"propiomazine" 2298 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"propiram" 2299 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" "Mechanism of Action" "WOMBAT-PK" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/7693433" "AGONIST" "Tclin" "Homo sapiens" +"propofol" 2302 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.4165745 "IC50" "DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"propofol" 2302 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.03077052 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"propofol" 2302 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.456056058 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"propofol" 2302 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.218172847 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"propofol" 2302 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.119415044 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" +"propofol" 2302 "Fatty-acid amide hydrolase 1" "Enzyme" "P97612" "Faah" "FAAH1_RAT" 4.85 "IC50" "Inhibition of rat FAAH" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL526" "Rattus norvegicus" +"propofol" 2302 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 5.7 "EC50" "Potentiation of GABA responses at human Gamma-aminobutyric acid A receptor alpha-1-beta-2-gamma-2" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL526" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL526" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"propofol" 2302 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRB3|GABRG2" "GBRA1_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 5.39 "EC50" "GABA-modulatory action compound was evaluated on Oocytes expressing recombinant human alpha-1-beta-3-gamma-2L GABA A receptor at concentrations of >=100 microIn vitro inhibition of IMPDH (isoform not specified, human and mouse assayed)" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6842" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1643" "INHIBITOR" "Tclin" "Homo sapiens" +"ribavirin" 2373 "DNA topoisomerase 1" "Enzyme" "P11387" "TOP1" "TOP1_HUMAN" 4.18 "IC50" "Inhibition of human topoisomerase 1 activity assessed as DNA triplex formation and presence of supercoiled DNA by microplate assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1643" "Tclin" "Homo sapiens" +"ribavirin" 2373 "NS5B protein" "Enzyme" "Q8JXU8" "NS5B" "Q8JXU8_9HEPC" "Mechanism of Action; CHEMBL5375; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1643" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1643" "INHIBITOR" "Hepatitis C virus" +"ribavirin" 2373 "Cytosolic purine 5'-nucleotidase" "Enzyme" "P49902" "NT5C2" "5NTC_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"ribavirin" 2373 "Ectonucleotide pyrophosphatase/phosphodiesterase family member 1" "Enzyme" "P22413" "ENPP1" "ENPP1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"ribavirin" 2373 "Adenosine kinase" "Kinase" "P55263" "ADK" "ADK_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"ribavirin" 2373 "Inosine-5'-monophosphate dehydrogenase 2" "Enzyme" "P12268" "IMPDH2" "IMDH2_HUMAN" 6 "IC50" "In vitro inhibition of IMPDH (isoform not specified, human and mouse assayed)" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6842" "INHIBITOR" "Tclin" "Homo sapiens" +"rifabutin" 2376 "DNA-directed RNA polymerase subunit beta" "Enzyme" "P9WGY9" "rpoB" "RPOB_MYCTU" 8 "Ki" "WOMBAT-PK" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"rifabutin" 2376 "Bacterial DNA-directed RNA polymerase" "Enzyme" "P0A7Z4|P0A800|P0A8T7|P0A8V2" "rpoA|rpoB|rpoC|rpoZ" "RPOA_ECOLI|RPOB_ECOLI|RPOC_ECOLI|RPOZ_ECOLI" "Mechanism of Action; CHEMBL2364672; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL444633" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL444633" "INHIBITOR" "Escherichia coli (strain K12)" +"rifampicin" 2377 "DNA-directed RNA polymerase subunit beta" "Enzyme" "P0A8V2" "rpoB" "RPOB_ECOLI" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB01045" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL374478" "INHIBITOR" "Escherichia coli (strain K12)" +"rifampicin" 2377 "Caspase-1" "Enzyme" "P29466" "CASP1" "CASP1_HUMAN" 5.079928876 "IC50" "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"rifampicin" 2377 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.530325227 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" +"rifampicin" 2377 "Solute carrier organic anion transporter family member 1B3" "Transporter" "Q9NPD5" "SLCO1B3" "SO1B3_HUMAN" 5.8 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2765" "INHIBITOR" "Tchem" "Homo sapiens" +"rifampicin" 2377 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" 5.64 "EC50" "Activation of PXR in human DPX2 cells after 24 hrs by luciferase reporter gene assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL374478" "Tchem" "Homo sapiens" +"rifampicin" 2377 "Lanosterol 14-alpha demethylase" "Enzyme" "Q16850" "CYP51A1" "CP51A_HUMAN" 4.52 "IC50" "Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL374478" "Tchem" "Homo sapiens" +"rifampicin" 2377 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 4.94999980926514 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL374478" "Tchem" "Homo sapiens" +"rifampicin" 2377 "Bile salt export pump" "Unclassified" "O70127" "Abcb11" "ABCBB_RAT" 4.46 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL374478" "Rattus norvegicus" +"rifampicin" 2377 "Enoyl-[acyl-carrier-protein] reductase [NADH]" "Enzyme" "P9WGR1" "inhA" "INHA_MYCTU" 7.52 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL374478" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"rifampicin" 2377 "Solute carrier organic anion transporter family member 1A2" "Unclassified" "P46721" "SLCO1A2" "SO1A2_HUMAN" 4.29 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2765" "INHIBITOR" "Tbio" "Homo sapiens" +"rifampicin" 2377 "Solute carrier organic anion transporter family member 1B1" "Transporter" "Q9Y6L6" "SLCO1B1" "SO1B1_HUMAN" 5.96 "Ki" "Inhibition of atorvastatin transport by OATP1B1." "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2765" "INHIBITOR" "Tchem" "Homo sapiens" +"rifapentine" 2378 "Bacterial DNA-directed RNA polymerase" "Enzyme" "P0A7Z4|P0A800|P0A8T7|P0A8V2" "rpoA|rpoB|rpoC|rpoZ" "RPOA_ECOLI|RPOB_ECOLI|RPOC_ECOLI|RPOZ_ECOLI" "Mechanism of Action; CHEMBL2364672; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1660" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1660" "INHIBITOR" "Escherichia coli (strain K12)" +"rifaximin" 2379 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" 5.66 "EC50" "Transactivation of human PXR expressed in HepG2 cells after 18 hrs by luciferase reporter gene assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1617" "Tchem" "Homo sapiens" +"rifaximin" 2379 "Bacterial DNA-directed RNA polymerase" "Enzyme" "P0A7Z4|P0A800|P0A8T7|P0A8V2" "rpoA|rpoB|rpoC|rpoZ" "RPOA_ECOLI|RPOB_ECOLI|RPOC_ECOLI|RPOZ_ECOLI" "Mechanism of Action; CHEMBL2364672; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1617" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1617" "INHIBITOR" "Escherichia coli (strain K12)" +"rilmenidine" 2381 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.37 "Ki" "Displacement of [3H]RX821001 from human alpha2B adrenoceptor expressed in CHO cells after 60 mins by gamma counter" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL289480" "Tclin" "Homo sapiens" +"rilmenidine" 2381 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.9 "Ki" "Displacement of [3H]RX821001 from human alpha2C adrenoceptor expressed in CHO cells after 60 mins by gamma counter" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL289480" "Tclin" "Homo sapiens" +"rilmenidine" 2381 "Nischarin" "Unclassified" "Q4G017" "Nisch" "NISCH_RAT" 7.95 "Ki" "Displacement of [3H]paraiodoclonidine from imidazoline I1 receptor in rat PC12 cells after 30 mins by gamma counter" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL289480" "Rattus norvegicus" +"rilmenidine" 2381 "Nischarin" "Membrane receptor" "Q9Y2I1" "NISCH" "NISCH_HUMAN" 7.23 "Ki" "Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL289480" "Tclin" "Homo sapiens" +"rilmenidine" 2381 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.44 "Ki" "Displacement of [3H]RX821001 from human alpha2A adrenoceptor expressed in CHO cells after 60 mins by gamma counter" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL289480" "Tclin" "Homo sapiens" +"rilmenidine" 2381 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 5.05 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL289480" "Tclin" "Homo sapiens" +"riluzole" 2382 "Intermediate conductance calcium-activated potassium channel protein 4" "Ion channel" "O15554" "KCNN4" "KCNN4_HUMAN" 5.7 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2326" "ACTIVATOR" "Tchem" "Homo sapiens" +"riluzole" 2382 "Small conductance calcium-activated potassium channel protein 3" "Ion channel" "Q9UGI6" "KCNN3" "KCNN3_HUMAN" 4.9 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2326" "ACTIVATOR" "Tchem" "Homo sapiens" +"riluzole" 2382 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.764976841 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"riluzole" 2382 "Pteridine reductase 1" "Enzyme" "Q01782" "PTR1" "PTR1_LEIMA" 5.4 "Ki" "Inhibition of Leishmania major PTR1 by Lineweaver-Burk analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL744" "Leishmania major" +"riluzole" 2382 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL744" "BLOCKER" "Tclin" "Homo sapiens" +"riluzole" 2382 "Glutamate receptor ionotropic, NMDA 3A" "Ion channel" "Q8TCU5" "GRIN3A" "NMD3A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"riluzole" 2382 "Small conductance calcium-activated potassium channel protein 2" "Unclassified" "P70604" "Kcnn2" "KCNN2_RAT" 4.89 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2326" "ACTIVATOR" "Rattus norvegicus" +"riluzole" 2382 "Small conductance calcium-activated potassium channel protein 1" "Ion channel" "Q92952" "KCNN1" "KCNN1_HUMAN" 4.68 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2326" "ACTIVATOR" "Tchem" "Homo sapiens" +"rimantadine" 2383 "Matrix protein 2" "Ion channel" "P21430" "M" "M2_I60A0" "WOMBAT-PK" "Influenza A virus (strain A/Ann Arbor/6/1960 H2N2)" +"rimantadine" 2383 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.14 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL959" "Tchem" "Homo sapiens" +"rimantadine" 2383 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.36 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL959" "Tchem" "Homo sapiens" +"rimantadine" 2383 "Matrix protein 2" "Ion channel" "P63231" "M" "M2_I72A2" "Mechanism of Action; CHEMBL2052; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL959" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL959" "INHIBITOR" "Influenza A virus (strain A/Udorn/307/1972 H3N2)" +"rimexolone" 2384 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action; CHEMBL2034; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200617" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200617" "AGONIST" "Tclin" "Homo sapiens" +"ripazepam" 2386 "GABA-A receptor; anion channel" "Ion channel" "O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14" "Gabra1|Gabra2|Gabra3|Gabra4|Gabra5|Gabra6|Gabrb1|Gabrb2|Gabrb3|Gabrd|Gabre|Gabrg1|Gabrg2|Gabrg3|Gabrp|Gabrq" "GBRA1_RAT|GBRA2_RAT|GBRA3_RAT|GBRA4_RAT|GBRA5_RAT|GBRA6_RAT|GBRB1_RAT|GBRB2_RAT|GBRB3_RAT|GBRD_RAT|GBRE_RAT|GBRG1_RAT|GBRG2_RAT|GBRG3_RAT|GBRP_RAT|Q91ZM7_RAT" 6.17 "IC50" "Displacement of [3H]flunitrazepam from GABA-A benzodiazepine receptor in synaptic membranes of rat cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL159298" "Rattus norvegicus" +"risedronic acid" 2387 "Farnesyl pyrophosphate synthase" "Enzyme" "P14324" "FDPS" "FPPS_HUMAN" 9.44 "Ki" "Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL923" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL923" "INHIBITOR" "Tclin" "Homo sapiens" +"risedronic acid" 2387 "Farnesyl diphosphate synthase" "Enzyme" "Q197X6" "FPPS" "Q197X6_TOXGO" 7.13 "IC50" "Inhibition of Toxoplasma gondii FPPS after 30 mins using [14C]IPP by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL923" "Toxoplasma gondii" +"risedronic acid" 2387 "Farnesyl diphosphate synthase" "Unclassified" "Q8WS26" "Q8WS26_TRYCR" 7.57 "IC50" "Inhibition of Trypanosoma cruzi FPPS after 30 mins using [14C]IPP by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL923" "Trypanosoma cruzi" +"risedronic acid" 2387 "Farnesyl pyrophosphate synthase" "Enzyme" "Q0GKD7" "Q0GKD7_LEIDO" 7.77 "Ki" "Binding affinity towards Farnesyl diphosphate synthase from leishmania major" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL923" "Leishmania donovani" +"risperidone" 2389 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 6.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=96" "ANTAGONIST" "Rattus norvegicus" +"risperidone" 2389 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tchem" "Homo sapiens" +"risperidone" 2389 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.07 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"risperidone" 2389 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.92081880569458 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"risperidone" 2389 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 7.02268600463867 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"risperidone" 2389 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"risperidone" 2389 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.53760194778442 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"risperidone" 2389 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.43179845809937 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"risperidone" 2389 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=96" "ANTAGONIST" "Tclin" "Homo sapiens" +"risperidone" 2389 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 5.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=96" "ANTAGONIST" "Tclin" "Homo sapiens" +"risperidone" 2389 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 5.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=96" "ANTAGONIST" "Tchem" "Homo sapiens" +"risperidone" 2389 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.277909285 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"risperidone" 2389 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.966576245 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"risperidone" 2389 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.7 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"risperidone" 2389 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.3643 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL85" "ANTAGONIST" "Tclin" "Homo sapiens" +"risperidone" 2389 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.49 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL85" "ANTAGONIST" "Tclin" "Homo sapiens" +"risperidone" 2389 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 6.6866 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"risperidone" 2389 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 8.48 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"risperidone" 2389 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 8.4949 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"risperidone" 2389 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 7.6 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"risperidone" 2389 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.49 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"risperidone" 2389 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.4815 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"risperidone" 2389 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.77 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"risperidone" 2389 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.5528 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"risperidone" 2389 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 8.47 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"risperidone" 2389 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.42 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"risperidone" 2389 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.4433 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"risperidone" 2389 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.7878 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"risperidone" 2389 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 8 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"risperidone" 2389 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.301029996 "Ki" "PDSP" "Tclin" "Homo sapiens" +"risperidone" 2389 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.301029996 "Ki" "PDSP" "Tclin" "Homo sapiens" +"risperidone" 2389 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 4.55 "Ki" "Binding affinity to rat NET" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL85" "Rattus norvegicus" +"risperidone" 2389 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 7.66 "Ki" "Displacement of [3H]mepyramine from histamine H1 receptor in guinea pig cerebellum after 60 mins by liquid scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL85" "Cavia porcellus" +"risperidone" 2389 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 8.85 "Ki" "Binding affinity towards rat 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL85" "Rattus norvegicus" +"risperidone" 2389 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.96 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL85" "Tchem" "Homo sapiens" +"risperidone" 2389 "D(2) dopamine receptor" "GPCR" "P61168" "Drd2" "DRD2_MOUSE" 7.64 "IC50" "Inhibition of mouse Dopamine receptor D2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL85" "Mus musculus" +"risperidone" 2389 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 8.01 "Ki" "Displacement of [3H]7-OH-DPAT from dopamine D3 receptor in rat olfactory tubercle after 60 mins by liquid scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL85" "Rattus norvegicus" +"risperidone" 2389 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.55 "Ki" "Binding affinity to human cloned muscarinic M1 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL85" "Tclin" "Homo sapiens" +"risperidone" 2389 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2a|Htr2b|Htr2c" "5HT2A_RAT|5HT2B_RAT|5HT2C_RAT" 9.85 "Ki" "Ability to displace [3H]ketanserin from serotonergic 5-hydroxytryptamine 2 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL85" "Rattus norvegicus" +"risperidone" 2389 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.68 "Ki" "Binding affinity against dopamine receptor D1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL85" "Tclin" "Homo sapiens" +"risperidone" 2389 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.85 "Ki" "Binding affinity to human SERT" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL85" "Tclin" "Homo sapiens" +"risperidone" 2389 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 5.37 "Ki" "Binding affinity measured at the sigma receptor by the inhibition of [3H]-3-PPP binding to guinea pig cerebellum using unlabeled 3-PPP for nonspecific binding." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL85" "Tclin" "Homo sapiens" +"risperidone" 2389 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 7.66 "Ki" "Affinity for Dopamine receptor D1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL85" "Rattus norvegicus" +"risperidone" 2389 "Alpha-2A adrenergic receptor" "GPCR" "P22909" "Adra2a" "ADA2A_RAT" 7.6 "Ki" "Binding affinity measured at the Alpha-2 adrenergic receptor by the inhibition of [3H]clonidine binding to rat cortex using unlabeled NAbitartrate for nonspecific binding." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL85" "Rattus norvegicus" +"risperidone" 2389 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 7.1 "IC50" "Displacement of [3H]mepyramine from H1R in rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL85" "Rattus norvegicus" +"risperidone" 2389 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.8 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL85" "Tchem" "Homo sapiens" +"risperidone" 2389 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 7.84 "Ki" "Displacement of [3H]mesulergine from 5HT2C receptor in rat cerebral cortex after 15 mins by liquid scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL85" "Rattus norvegicus" +"risperidone" 2389 "5-hydroxytryptamine receptor 1A" "GPCR" "Q64264" "Htr1a" "5HT1A_MOUSE" 6.37 "IC50" "Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL85" "Mus musculus" +"risperidone" 2389 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 9.82 "Ki" "Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL85" "Rattus norvegicus" +"risperidone" 2389 "Beta-1 adrenergic receptor" "GPCR" "P18090" "Adrb1" "ADRB1_RAT" 4.66 "Ki" "Binding affinity measured at the Beta-1 adrenergic receptor by the inhibition of [3H]DHA binding to rat cortex using unlabeled isoprenalin for nonspecific binding." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL85" "Rattus norvegicus" +"risperidone" 2389 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.65 "Ki" "Displacement of [3H]5-LSD from human 5HT6 receptor expressed in human HeLa cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL85" "Tchem" "Homo sapiens" +"risperidone" 2389 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.89 "Ki" "Binding affinity measured at the Alpha-1A adrenergic receptor by the inhibition of [3H]prazosin binding to rat cortex using unlabeled WB-4101 for nonspecific binding." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL85" "Rattus norvegicus" +"risperidone" 2389 "Serotonin 1 (5-HT1) receptor" "GPCR" "P19327|P28564|P28565|P30940" "Htr1a|Htr1b|Htr1d|Htr1f" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT" 6.47 "Ki" "The binding affinity was measured on serotonin 5-hydroxytryptamine 1 receptor in rat brain tissue" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL85" "Rattus norvegicus" +"risperidone" 2389 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.89 "Ki" "Ability to displace [3H]-8-OH-DPAT from serotonergic 5-hydroxytryptamine 1A receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL85" "Rattus norvegicus" +"risperidone" 2389 "Serotonin 2 (5-HT2) receptor" "GPCR" "P34968|P35363|Q02152" "Htr2a|Htr2b|Htr2c" "5HT2A_MOUSE|5HT2B_MOUSE|5HT2C_MOUSE" 8.82 "IC50" "Inhibitory activity against serotonin 5-hydroxytryptamine 2 receptor from mice." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL85" "Mus musculus" +"risperidone" 2389 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 8.74 "Ki" "Ability to displace [3H]spiperone from D2 dopamine receptor isolated from the striata of male Wistar rats" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL85" "Rattus norvegicus" +"risperidone" 2389 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 6.48999977111816 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL85" "Tclin" "Homo sapiens" +"ritodrine" 2390 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 7.62 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL785" "AGONIST" "Tclin" "Homo sapiens" +"ritodrine" 2390 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 6.72 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ritonavir" 2391 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 4.575020413 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ritonavir" 2391 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 4.301029996 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ritonavir" 2391 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.262648304 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ritonavir" 2391 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 7.795880017 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"ritonavir" 2391 "Vasopressin V1a receptor" "GPCR" "P37288" "AVPR1A" "V1AR_HUMAN" 5.302683458 "Ki" "DRUGMATRIX: Vasopressin V1A radioligand binding (ligand: [125I] PhenylacetylTyr(Me)PheGlnAsnArgProArgTyr)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ritonavir" 2391 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 7.119186408 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"ritonavir" 2391 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 6.058488567 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"ritonavir" 2391 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 7.55 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ritonavir" 2391 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"ritonavir" 2391 "Gag-Pol polyprotein" "Polyprotein" "P03367" "gag-pol" "POL_HV1BR" 9.23 "Ki" "WOMBAT-PK" "=" "Human immunodeficiency virus type 1 group M subtype B (isolate BRU/LAI)" +"ritonavir" 2391 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.83 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"ritonavir" 2391 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.47 "IC50" "Inhibition of human OCT1-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL163" "Tchem" "Homo sapiens" +"ritonavir" 2391 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.61 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL163" "Tchem" "Homo sapiens" +"ritonavir" 2391 "Pol polyprotein" "Enzyme" "Q72874" "pol" "Q72874_9HIV1" 10.82 "Ki" "Inhibition constant of ritonavir towards HIV protease was determined" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL163" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL163" "INHIBITOR" "Human immunodeficiency virus 1" +"ritonavir" 2391 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 5.36 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells up to 500 uM after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL163" "Tchem" "Homo sapiens" +"ritonavir" 2391 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 7.1 "IC50" "Inhibition of human MATE1-mediated [14]-metformin uptake expressed in HEK293 cells after 1.5 mins by scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL163" "Tchem" "Homo sapiens" +"ritonavir" 2391 "Protease" "Enzyme" "Q9YQ12" "protease" "Q9YQ12_9HIV1" 10.47 "Ki" "Inhibition of HIV1 protease" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL163" "Human immunodeficiency virus 1" +"rivastigmine" 2392 "Acetylcholinesterase" "Enzyme" "P23795" "ACHE" "ACES_BOVIN" 6.21 "IC50" "Inhibition of bovine AChE after 120 mins by Ellman's method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL636" "Bos taurus" +"rivastigmine" 2392 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 7.43 "IC50" "Inhibition of human erythrocytes BChE" "CHEMBL" "=" 1 "IUPHAR" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL636" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6602" "INHIBITOR" "Tclin" "Homo sapiens" +"rivastigmine" 2392 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 5.38 "IC50" "Inhibition of electric eel AChE preincubated for 5 mins by Ellman's method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL636" "Electrophorus electricus" +"rivastigmine" 2392 "Acetylcholinesterase" "Enzyme" "P37136" "Ache" "ACES_RAT" 5.74 "IC50" "In vitro inhibitory concentration against rat cortex acetylcholinesterase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL636" "Rattus norvegicus" +"rivastigmine" 2392 "Acetylcholinesterase" "Enzyme" "P21836" "Ache" "ACES_MOUSE" 5.95 "IC50" "Inhibition of Swiss albino mouse RBC AChE after 30 mins by Ellman method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL636" "Mus musculus" +"rivastigmine" 2392 "Butyrylcholinesterase; Protein Bche" "Enzyme" "Q9JKC1" "Bche" "Q9JKC1_RAT" 6.46 "IC50" "In vitro inhibitory concentration against butyrylcholinesterase was determined using rat serum homogenate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL636" "Rattus norvegicus" +"rivastigmine" 2392 "Cholinesterase" "Enzyme" "P06276" "BCHE" "CHLE_HUMAN" 7.52 "IC50" "Inhibition of human recombinant butyrylcholinesterase" "CHEMBL" "=" 1 "IUPHAR" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL636" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6602" "INHIBITOR" "Tclin" "Homo sapiens" +"rivastigmine" 2392 "Cholinesterase" "Enzyme" "Q03311" "Bche" "CHLE_MOUSE" 5.8 "IC50" "Inhibition of mouse serum BChE" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL636" "Mus musculus" +"rivastigmine" 2392 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 6.08 "IC50" "Inhibition of horse serum BChE preincubated for 5 mins by Ellman's method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL636" "Equus caballus" +"rivastigmine" 2392 "Butyrylcholinesterase" "Enzyme" "Q9N1N9" "BCHE" "Q9N1N9_HORSE" 6.8 "IC50" "Inhibition of equine BuChE after 120 mins by Ellman's method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL636" "Equus caballus" +"rizatriptan" 2393 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 7.9 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL905" "AGONIST" "Tclin" "Homo sapiens" +"rizatriptan" 2393 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.9 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL905" "AGONIST" "Tclin" "Homo sapiens" +"rizatriptan" 2393 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 6.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=51" "AGONIST" "Tclin" "Homo sapiens" +"rizatriptan" 2393 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 6.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=51" "AGONIST" "Tchem" "Homo sapiens" +"rizatriptan" 2393 "Serotonin 3 (5-HT3) receptor" "Ion channel" "P35563|Q9JJ16" "Htr3a|Htr3b" "5HT3A_RAT|5HT3B_RAT" 5.4 "IC50" "Binding activity radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL905" "Rattus norvegicus" +"rizatriptan" 2393 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.1 "IC50" "Binding activity against 5-hydroxytryptamine 2C receptor from pig cortex membrane using [3H]mesulergine as radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL905" "Tclin" "Homo sapiens" +"rizatriptan" 2393 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.1 "IC50" "Binding activity against 5-hydroxytryptamine 2C receptor from human brain cortex using [3H]mesulergine as radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL905" "Tclin" "Homo sapiens" +"rizatriptan" 2393 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.85 "Ki" "In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1A receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL905" "Tclin" "Homo sapiens" +"rizatriptan" 2393 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 5.2 "IC50" "Binding activity against 5-hydroxytryptamine 2C receptor from pig cortex membrane using [3H]mesulergine as radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL905" "Rattus norvegicus" +"rizatriptan" 2393 "5-hydroxytryptamine receptor 1D" "GPCR" "P79400" "HTR1D" "5HT1D_PIG" 7.3 "IC50" "Binding activity against 5-hydroxytryptamine 2C receptor from human brain cortex using [3H]mesulergine as radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL905" "Sus scrofa" +"rizatriptan" 2393 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 4.8539 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"rocuronium" 2396 "Acetylcholine receptor" "Ion channel" "P02708|P11230|Q07001" "CHRNA1|CHRNB1|CHRND" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN" 7.7696 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200648" "ANTAGONIST" "Tclin|Tclin|Tclin" "Homo sapiens" +"rocuronium" 2396 "Acetylcholine receptor; alpha1/beta1/delta/gamma" "Ion channel" "P02708|P07510|P11230|Q07001" "CHRNA1|CHRNB1|CHRND|CHRNG" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN|ACHG_HUMAN" 7.09000015258789 "IC50" "GRAC: human AChR-alpha1 commonly used antagonist" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200648" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"rofecoxib" 2397 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "P43116" "PTGER2" "PE2R2_HUMAN" 7.46590709686279 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"rofecoxib" 2397 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 4.63 "IC50" "Inhibition of sheep COX1 by spectrophotometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL122" "Ovis aries" +"rofecoxib" 2397 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 6.52 "IC50" "Inhibition of ovine COX2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL122" "Ovis aries" +"rofecoxib" 2397 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.77 "IC50" "In vitro potency against human Prostaglandin G/H synthase 1 in U937 microsomes. " "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL122" "Tclin" "Homo sapiens" +"rofecoxib" 2397 "Prostaglandin G/H synthase 2" "Enzyme" "O62698" "PTGS2" "PGH2_BOVIN" 6.37 "IC50" "In vitro inhibitory activity against prostaglandin G/H synthase 2 (COX-2)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL122" "Bos taurus" +"rofecoxib" 2397 "Prostaglandin G/H synthase 2" "Enzyme" "Q05769" "Ptgs2" "PGH2_MOUSE" 7.92 "IC50" "In vitro inhibitory activity against Prostaglandin G/H synthase 2 in murine J774 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL122" "Mus musculus" +"rofecoxib" 2397 "Prostaglandin G/H synthase 2" "Enzyme" "P35355" "Ptgs2" "PGH2_RAT" 6.12 "IC50" "In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL122" "Rattus norvegicus" +"rofecoxib" 2397 "Prostaglandin G/H synthase 1" "Enzyme" "Q63921" "Ptgs1" "PGH1_RAT" 4.94 "IC50" "In vitro inhibitory concentration against rat prostaglandin G/H synthase 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL122" "Rattus norvegicus" +"rofecoxib" 2397 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.51 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL122" "INHIBITOR" "Tclin" "Homo sapiens" +"rolitetracycline" 2399 "Integrase" "Enzyme" "Q76353" "Q76353_9HIV1" 4.55 "IC50" "Inhibition of HIV1 recombinant integrase 3'-processing activity" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1237046" "Human immunodeficiency virus 1" +"ropinirole" 2402 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 6.07 "Ki" "WOMBAT-PK" "=" "AGONIST" "Tchem" "Homo sapiens" +"ropinirole" 2402 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.43 "Ki" "WOMBAT-PK" "=" "AGONIST" "Tclin" "Homo sapiens" +"ropinirole" 2402 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.42000007629395 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"ropinirole" 2402 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 5.82000017166138 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"ropinirole" 2402 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 5.8600001335144 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"ropinirole" 2402 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 5.92000007629395 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"ropinirole" 2402 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.73000001907349 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"ropinirole" 2402 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 5.57 "Ki" "Displacement of [3H]spiperone from rat D2 receptor expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL589" "Rattus norvegicus" +"ropinirole" 2402 "D(2) dopamine receptor" "GPCR" "P20288" "DRD2" "DRD2_BOVIN" 5.17 "IC50" "Displacement of [3H]spiroperidol from homogenized bovine pituitary Dopamine receptor D2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL589" "Bos taurus" +"ropinirole" 2402 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 7.53 "Ki" "Displacement of [3H]spiperone from rat D3 receptor expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL589" "Rattus norvegicus" +"ropinirole" 2402 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.12 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ropinirole" 2402 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.54 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ropinirole" 2402 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 4.49 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL589" "Tclin" "Homo sapiens" +"ropinirole" 2402 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 4.38 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL589" "Tchem" "Homo sapiens" +"ropinirole" 2402 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.14 "Ki" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7295" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7295" "AGONIST" "Tclin" "Homo sapiens" +"ropivacaine" 2403 "Sodium channel protein type 10 subunit alpha" "Ion channel" "Q9Y5Y9" "SCN10A" "SCNAA_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1077896" "BLOCKER" "Tclin" "Homo sapiens" +"ropivacaine" 2403 "Sodium channel protein type 9 subunit alpha" "Ion channel" "Q15858" "SCN9A" "SCN9A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1077896" "BLOCKER" "Tclin" "Homo sapiens" +"ropivacaine" 2403 "Sodium channel protein type 8 subunit alpha" "Ion channel" "Q9UQD0" "SCN8A" "SCN8A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1077896" "BLOCKER" "Tclin" "Homo sapiens" +"ropivacaine" 2403 "Sodium channel protein type 4 subunit alpha" "Ion channel" "P35499" "SCN4A" "SCN4A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1077896" "BLOCKER" "Tclin" "Homo sapiens" +"ropivacaine" 2403 "Sodium channel protein type 3 subunit alpha" "Ion channel" "Q9NY46" "SCN3A" "SCN3A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1077896" "BLOCKER" "Tclin" "Homo sapiens" +"ropivacaine" 2403 "Sodium channel protein type 2 subunit alpha" "Ion channel" "Q99250" "SCN2A" "SCN2A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1077896" "BLOCKER" "Tclin" "Homo sapiens" +"ropivacaine" 2403 "Sodium channel protein type 1 subunit alpha" "Ion channel" "P35498" "SCN1A" "SCN1A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1077896" "BLOCKER" "Tclin" "Homo sapiens" +"ropivacaine" 2403 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" 4.56 "IC50" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7602" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1077896" "BLOCKER" "Tclin" "Homo sapiens" +"rosiglitazone" 2405 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 7.04 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL121" "AGONIST" "Tclin" "Homo sapiens" +"rosiglitazone" 2405 "Free fatty acid receptor 1" "GPCR" "O14842" "FFAR1" "FFAR1_HUMAN" 5.6 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1056" "AGONIST" "Tchem" "Homo sapiens" +"rosiglitazone" 2405 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.39051231 "IC50" "DRUGMATRIX: Carbonic Anhydrase II enzyme inhibition (substrate: 4-Nitrophenyl acetate (4-NPA))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"rosiglitazone" 2405 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.448550002 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"rosiglitazone" 2405 "Type-1A angiotensin II receptor" "GPCR" "P25095" "Agtr1" "AGTRA_RAT" 9.64 "Ki" "Displacement of [125I]-SI-Ang-2 from AT1 receptor in Rattus norvegicus Sprague-Dawley (rat) liver membranes after 2 hr" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL121" "Rattus norvegicus" +"rosiglitazone" 2405 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 4.56 "Ki" "Competitive inhibition of human MAOA expressed in Pichia pastoris" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL121" "Tclin" "Homo sapiens" +"rosiglitazone" 2405 "Peroxisome proliferator-activated receptor delta" "Nuclear hormone receptor" "Q03181" "PPARD" "PPARD_HUMAN" 5.44 "EC50" "In vitro transcription activation on human peroxisome proliferator activated receptor-delta (PPAR delta)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL121" "Tchem" "Homo sapiens" +"rosiglitazone" 2405 "Amine oxidase [flavin-containing] B" "Enzyme" "P19643" "Maob" "AOFB_RAT" 5.24 "Ki" "Competitive inhibition of rat MAOB expressed in Pichia pastoris" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL121" "Rattus norvegicus" +"rosiglitazone" 2405 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 5.38 "Ki" "Competitive inhibition of human MAOB expressed in Pichia pastoris" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL121" "Tclin" "Homo sapiens" +"rosiglitazone" 2405 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 7.41 "EC50" "Agonist activity at human PPARalpha ligand binding domain expressed in human HepG2 cells co-transfected with Gal4 by luciferase reporter gene assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL121" "Tclin" "Homo sapiens" +"rosiglitazone" 2405 "Amine oxidase [flavin-containing] A" "Enzyme" "P21396" "Maoa" "AOFA_RAT" 4.49 "Ki" "Competitive inhibition of rat MAOA expressed in Pichia pastoris" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL121" "Rattus norvegicus" +"rosiglitazone" 2405 "Retinoic acid receptor gamma" "Nuclear hormone receptor" "P13631" "RARG" "RARG_HUMAN" 5 "Ki" "Binding affinity against Retinoic acid receptor gamma was determined in vitro by using [3H]ATRA as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL121" "Tclin" "Homo sapiens" +"rosiglitazone" 2405 "Short transient receptor potential channel 5" "Ion channel" "Q9UL62" "TRPC5" "TRPC5_HUMAN" 4.51 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1056" "ACTIVATOR" "Tchem" "Homo sapiens" +"rosiglitazone" 2405 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 5.19000005722046 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL121" "Tchem" "Homo sapiens" +"rosiglitazone" 2405 "Bile salt export pump" "Unclassified" "O70127" "Abcb11" "ABCBB_RAT" 4.4 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL121" "Rattus norvegicus" +"rosiglitazone" 2405 "Peroxisome proliferator-activated receptor gamma" "Transcription factor" "P37238" "Pparg" "PPARG_MOUSE" 7.52 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL121" "Mus musculus" +"rosuvastatin" 2406 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P04035" "HMGCR" "HMDH_HUMAN" 9.05 "Ki" "Inhibitory constant against HMG-CoA reductase" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1496" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1496" "INHIBITOR" "Tclin" "Homo sapiens" +"rosuvastatin" 2406 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P51639" "Hmgcr" "HMDH_RAT" 8.68 "IC50" "Inhibition of HMG-CoA reductase in rat liver microsomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1496" "Rattus norvegicus" +"rosuvastatin" 2406 "Phosphodiesterase 6D" "Enzyme" "O43924" "PDE6D" "PDE6D_HUMAN" 5.9 "Kd" "Binding affinity to His6-tagged PDE-delta (unknown origin) measured every 3 mins by fluorescence polarization assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1496" "Tclin" "Homo sapiens" +"rotigotine" 2407 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=941" "AGONIST" "Tclin" "Homo sapiens" +"rotigotine" 2407 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 10.22 "Ki" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=941" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=941" "AGONIST" "Tclin" "Homo sapiens" +"rotigotine" 2407 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=941" "AGONIST" "Tclin" "Homo sapiens" +"rotigotine" 2407 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=941" "AGONIST" "Tchem" "Homo sapiens" +"rotigotine" 2407 "D(1A) dopamine receptor" "GPCR" "Q95136" "DRD1" "DRD1_BOVIN" 6.3 "Ki" "Binding affinity of compound for Dopamine receptor D1 using [3H]-SCH- 23390" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1303" "Bos taurus" +"rotigotine" 2407 "D(2) dopamine receptor" "GPCR" "P20288" "DRD2" "DRD2_BOVIN" 7.82 "Ki" "Binding affinity of compound for Dopamine receptor D2 using [3H]N-0437" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1303" "Bos taurus" +"rotigotine" 2407 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.26 "Ki" "Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D4.2 of CHO K-1 cells." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1303" "AGONIST" "Tchem" "Homo sapiens" +"roxatidine acetate" 2408 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 7.6 "Kd" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/1717223" "ANTAGONIST" "Tclin" "Homo sapiens" +"roxithromycin" 2410 "50S ribosomal protein L10" "Ribosomal protein" "P15825" "rpl10" "RL10_HALMA" "WOMBAT-PK" "Haloarcula marismortui (strain ATCC 43049 / DSM 3752 / JCM 8966 / VKM B-1809)" +"roxithromycin" 2410 "Motilin receptor" "GPCR" "O43193" "MLNR" "MTLR_HUMAN" 6.2 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1465" "AGONIST" "Tchem" "Homo sapiens" +"roxithromycin" 2410 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.261219442 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"rupatadine" 2413 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.41 "IC50" "Inhibitory concentration against histamine H1 receptor" "CHEMBL" "=" 1 "KEGG DRUG" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91397" "http://www.kegg.jp/entry/D07407" "ANTAGONIST" "Tclin" "Homo sapiens" +"rupatadine" 2413 "Platelet-activating factor receptor" "GPCR" "P25105" "PTAFR" "PTAFR_HUMAN" 5.43 "IC50" "Inhibitory concentration against platelet activating factor receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91397" "Tchem" "Homo sapiens" +"ademetionine" 2414 "Phenylethanolamine N-methyltransferase" "Enzyme" "P11086" "PNMT" "PNMT_HUMAN" 5.32 "Kd" "Activity of human wild type PNMT assessed as phenylethanolamine methylation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1088977" "Tchem" "Homo sapiens" +"ademetionine" 2414 "Protein-beta-aspartate methyltransferase" "Enzyme" "P22061" "PCMT1" "PIMT_HUMAN" 4.32 "Ki" "Kinetic constant was measured for PMII of Leishmania donovani promastigotes using supernatant (S12) fraction" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1088977" "Tbio" "Homo sapiens" +"ademetionine" 2414 "S-adenosylmethionine decarboxylase proenzyme" "Enzyme" "P17708" "Amd1" "DCAM_RAT" 4.22 "Ki" "In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in presence of 1 mM putrescine" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1088977" "Rattus norvegicus" +"ademetionine" 2414 "Protein arginine N-methyltransferase 1" "Enzyme" "Q99873" "PRMT1" "ANM1_HUMAN" 4.92 "IC50" "Inhibition of GST-fused human recombinant PRMT1 after 90 mins by SDS-PAGE based scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1088977" "Tchem" "Homo sapiens" +"ademetionine" 2414 "Met repressor" "Unclassified" "C3SIU2" "metJ" "C3SIU2_ECOLX" 8.4 "Kd" "Binding affinity to Escherichia coli metJ in presence of operator DNA complex by filter binding study" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1088977" "Escherichia coli" +"salicylic acid" 2416 "Salicylic acid-binding protein 2" "Enzyme" "Q6RYA0" "SABP2" "SABP2_TOBAC" "WOMBAT-PK" "Nicotiana tabacum" +"salicylic acid" 2416 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 4.3 "Ki" "Inhibition of human carbonic anhydrase 14 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL424" "Tclin" "Homo sapiens" +"salicylic acid" 2416 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 4.95 "Ki" "Inhibition of human carbonic anhydrase 4 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL424" "Tclin" "Homo sapiens" +"salicylic acid" 2416 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5 "Ki" "Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL424" "Tclin" "Homo sapiens" +"salicylic acid" 2416 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 4.09 "Ki" "Inhibition of human carbonic anhydrase 7 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL424" "Tclin" "Homo sapiens" +"salicylic acid" 2416 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 4.17 "Ki" "Inhibition of mouse carbonic anhydrase 13 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL424" "Mus musculus" +"salicylic acid" 2416 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 4.1 "Ki" "Inhibition of human carbonic anhydrase 9 catalytic domain by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL424" "Tclin" "Homo sapiens" +"salicylic acid" 2416 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.06 "Ki" "Inhibition of human carbonic anhydrase 12 catalytic domain by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL424" "Tclin" "Homo sapiens" +"salicylic acid" 2416 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 5.14 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL424" "Mus musculus" +"salicylic acid" 2416 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 4.92 "Ki" "Inhibition of human carbonic anhydrase 6 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL424" "Tclin" "Homo sapiens" +"salicylic acid" 2416 "Polyphenol oxidase 2" "Enzyme" "O42713" "PPO2" "PPO2_AGABI" 4 "IC50" "Inhibition of mushroom tyrosinase after 10 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL424" "Agaricus bisporus" +"salicylic acid" 2416 "Solute carrier family 22 member 20" "Transporter" "Q80UJ1" "Slc22a20" "S22AK_MOUSE" 4.36 "Ki" "Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL424" "Mus musculus" +"salicylic acid" 2416 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.15 "Ki" "Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL424" "Tclin" "Homo sapiens" +"salmeterol" 2419 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 5.0044 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"salmeterol" 2419 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 9.41 "Ki" "Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1263" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1263" "AGONIST" "Tclin" "Homo sapiens" +"salmeterol" 2419 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.1 "Ki" "Displacement of [3H]CGP12177 from human beta-1 adrenoceptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1263" "Tclin" "Homo sapiens" +"salmeterol" 2419 "Beta-2 adrenergic receptor" "GPCR" "Q8K4Z4" "Adrb2" "ADRB2_CAVPO" 7.5 "EC50" "Agonist activity at beta2 receptor in guinea pig trachea assessed as slow onset of inhibition of electrically stimulated contraction" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1263" "Cavia porcellus" +"salmeterol" 2419 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 6 "EC50" "Agonist activity at human recombinant beta3 receptor assessed as cAMP accumulation by radioimmunoassay and cell based assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1263" "Tclin" "Homo sapiens" +"salmeterol" 2419 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.98000001907349 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1263" "Tclin" "Homo sapiens" +"saquinavir" 2422 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.408156589 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"saquinavir" 2422 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.61225434 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"saquinavir" 2422 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.282412703 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"saquinavir" 2422 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 4.554629351 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"saquinavir" 2422 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.555955204 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"saquinavir" 2422 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.003050752 "Ki" "DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"saquinavir" 2422 "Vasopressin V1a receptor" "GPCR" "P37288" "AVPR1A" "V1AR_HUMAN" 5.153044675 "Ki" "DRUGMATRIX: Vasopressin V1A radioligand binding (ligand: [125I] PhenylacetylTyr(Me)PheGlnAsnArgProArgTyr)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"saquinavir" 2422 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.661145254 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"saquinavir" 2422 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.683819901 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"saquinavir" 2422 "Gag-Pol polyprotein" "Polyprotein" "P03367" "gag-pol" "POL_HV1BR" 10.1871 "Ki" "WOMBAT-PK" "=" "Human immunodeficiency virus type 1 group M subtype B (isolate BRU/LAI)" +"saquinavir" 2422 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"saquinavir" 2422 "Canalicular multispecific organic anion transporter 1" "Transporter" "Q92887" "ABCC2" "MRP2_HUMAN" 4.699 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"saquinavir" 2422 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 4.9208 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"saquinavir" 2422 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.8239 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"saquinavir" 2422 "Pol polyprotein" "Enzyme" "Q72874" "pol" "Q72874_9HIV1" 10.4 "Ki" "Inhibition of HIV protease" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL114" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL114" "INHIBITOR" "Human immunodeficiency virus 1" +"saquinavir" 2422 "Chloroquine resistance transporter" "Unclassified" "Q9N623" "CRT" "CRT_PLAFA" 4.89 "IC50" "Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocyte assessed as inhibition of [3H]chloroquine uptake measured from 1 to 2 hrs" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL114" "Plasmodium falciparum" +"saquinavir" 2422 "Protease" "Enzyme" "Q4U254" "protease" "Q4U254_9ENTO" 9.3 "IC50" "Compound was evaluated for inhibitory activity against HIV-2 protease" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL114" "Human rhinovirus sp" +"saquinavir" 2422 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.37 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL114" "Rattus norvegicus" +"saquinavir" 2422 "Protease" "Enzyme" "Q9YQ12" "protease" "Q9YQ12_9HIV1" 10.4 "Ki" "Inhibition of wild-type HIV1 BH10 protease expressed in Escherichia coli by spectrophotometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL114" "Human immunodeficiency virus 1" +"sarpogrelate" 2423 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=210" "ANTAGONIST" "Tclin" "Homo sapiens" +"sarpogrelate" 2423 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=210" "ANTAGONIST" "Tclin" "Homo sapiens" +"sarpogrelate" 2423 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=210" "ANTAGONIST" "Tclin" "Homo sapiens" +"sarpogrelate" 2423 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2a|Htr2b|Htr2c" "5HT2A_RAT|5HT2B_RAT|5HT2C_RAT" 7.75 "Ki" "Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL52939" "Rattus norvegicus" +"scopolamine" 2424 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 9 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL569713" "ANTAGONIST" "Tclin" "Homo sapiens" +"scopolamine" 2424 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm2|Chrm3|Chrm4|Chrm5" "ACM1_RAT|ACM2_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT" 10.1 "Ki" "Inhibition of [3H]pirenzepine binding to muscarinic receptor in rat cortical homogenates" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL569713" "Rattus norvegicus" +"scopolamine" 2424 "Muscarinic receptor M1" "GPCR" "Q8WMX0" "Q8WMX0_BOVIN" 9.39 "Ki" "Binding affinity towards Muscarinic acetylcholine receptor M1 was determined in calf brain membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL569713" "Bos taurus" +"scopolamine" 2424 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 9.28 "Ki" "Binding affinity towards rat Muscarinic acetylcholine receptor M1 was determined" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL569713" "Rattus norvegicus" +"scopolamine" 2424 "Muscarinic acetylcholine receptor M3" "GPCR" "P08483" "Chrm3" "ACM3_RAT" 9.19 "Kd" "In vitro receptor binding against Muscarinic acetylcholine receptor M3 in rat submandibular gland was determined using [3H]pirenzepine" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL569713" "Rattus norvegicus" +"scopolamine" 2424 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 8.52 "Kd" "In vitro receptor binding against Muscarinic acetylcholine receptor M2 in rat heart was determined using [3H]pirenzepine" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL569713" "Rattus norvegicus" +"scopolamine" 2424 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.75 "Ki" "Displacement of [3H]NMS from human M5 muscarinic receptor expressed in CHO-K1 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL569713" "Tclin" "Homo sapiens" +"scopolamine" 2424 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 9.37 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"scopolamine" 2424 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 9.4 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"scopolamine" 2424 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 8.86 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"secnidazole" 2427 "3-oxoacyl-[acyl-carrier-protein] synthase 3" "Enzyme" "C3TDZ2" "fabH" "C3TDZ2_ECOLX" 4.55 "IC50" "Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL498847" "Escherichia coli" +"secobarbital" 2428 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 5.577902837 "IC50" "DRUGMATRIX: Protease, Matrix Metalloprotease-9 (MMP-9) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"secobarbital" 2428 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL447" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"selegiline" 2429 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.171340103 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"selegiline" 2429 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.764471553 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"selegiline" 2429 "Amine oxidase [flavin-containing] A" "Enzyme" "P21396" "Maoa" "AOFA_RAT" 4.98 "Ki" "Competitive inhibition of rat liver MAO-A after 60 mins using p-tyramine as substrate by spectrophotometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL972" "Rattus norvegicus" +"selegiline" 2429 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 5.04 "Ki" "Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL972" "Tclin" "Homo sapiens" +"selegiline" 2429 "Amine oxidase [flavin-containing] A" "Enzyme" "P21398" "MAOA" "AOFA_BOVIN" 5.42 "Ki" "Inhibition of bovine brain mitochondria MAOA by fluorometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL972" "Bos taurus" +"selegiline" 2429 "Amine oxidase [flavin-containing] B" "Enzyme" "P56560" "MAOB" "AOFB_BOVIN" 6.01 "Ki" "Inhibitory activity against monoamine oxidase B in isolated bovine brain mitochondria" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL972" "Bos taurus" +"selegiline" 2429 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 7.26 "Ki" "Irreversible inhibition of recombinant human MAO-B expressed in baculovirus infected BT1 cells using benzylamine as substrate at 200 uM preincubated for 30 mins by Lineweaver-Burk plot analysis" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL972" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL972" "INHIBITOR" "Tclin" "Homo sapiens" +"selegiline" 2429 "Amine oxidase [flavin-containing] B" "Enzyme" "P19643" "Maob" "AOFB_RAT" 5.87 "Ki" "Inhibition of MAO-B in rat liver homogenate after 60 mins by Lineweaver-Burke plot" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL972" "Rattus norvegicus" +"selegiline" 2429 "Monoamine oxidase" "Enzyme" "P19643|P21396" "Maoa|Maob" "AOFA_RAT|AOFB_RAT" 7.89 "IC50" "In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL972" "Rattus norvegicus" +"seratrodast" 2432 "Thromboxane A2 receptor" "GPCR" "P21731" "TBXA2R" "TA2R_HUMAN" 8.13 "IC50" "In vitro concentration that reduced specific binding of [3H]U-440619 to guinea pig platelet receptor, TXA2 by 50%" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL70972" "Tclin" "Homo sapiens" +"sermorelin" 2433 "Growth hormone-releasing hormone receptor" "GPCR" "Q02643" "GHRHR" "GHRHR_HUMAN" "UNKNOWN" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6998" "AGONIST" "Tclin" "Homo sapiens" +"sertaconazole" 2434 "Lanosterol 14-alpha demethylase" "Enzyme" "P10613" "ERG11" "CP51_CANAL" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200725" "INHIBITOR" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"sertaconazole" 2434 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P14902" "IDO1" "I23O1_HUMAN" 5.07999992370606 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200725" "Tchem" "Homo sapiens" +"sertindole" 2435 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.74472713470459 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"sertindole" 2435 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 7.55284214019775 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"sertindole" 2435 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.56992483139038 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"sertindole" 2435 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.34678745269775 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"sertindole" 2435 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.34678745269775 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"sertindole" 2435 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.19381999969482 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"sertindole" 2435 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 7.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=98" "ANTAGONIST" "Tclin" "Homo sapiens" +"sertindole" 2435 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 6.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=98" "ANTAGONIST" "Tclin" "Homo sapiens" +"sertindole" 2435 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 6.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=98" "ANTAGONIST" "Tchem" "Homo sapiens" +"sertindole" 2435 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.301029996 "Ki" "PDSP" "Tclin" "Homo sapiens" +"sertindole" 2435 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.301029996 "Ki" "PDSP" "Tclin" "Homo sapiens" +"sertindole" 2435 "Alpha-1B adrenergic receptor" "GPCR" "P18841" "ADRA1B" "ADA1B_MESAU" 9.48 "Ki" "Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12713" "Mesocricetus auratus" +"sertindole" 2435 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.19 "IC50" "Inhibition of human ABCB1-mediated rhodamine 123 efflux in mouse L5178 cells expressing human MDR1 after 20 mins by FACS analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12713" "Tchem" "Homo sapiens" +"sertindole" 2435 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.48 "Ki" "Ability to displace [3H]5-CT (2.0 nM) from HeLa cells of human 5-hydroxytryptamine 1A receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12713" "Tclin" "Homo sapiens" +"sertindole" 2435 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2a|Htr2b|Htr2c" "5HT2A_RAT|5HT2B_RAT|5HT2C_RAT" 9.41 "IC50" "Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor from rat cortical membranes." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12713" "Rattus norvegicus" +"sertindole" 2435 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.35 "Ki" "Displacement of [3H]prozosin from human cloned dopamine D2 receptor expressed in CHO cells" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12713" "http://www.ncbi.nlm.nih.gov/pubmed/9469684" "ANTAGONIST" "Tclin" "Homo sapiens" +"sertindole" 2435 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.68 "Ki" "Binding affinity towards human Dopamine receptor D1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12713" "Tclin" "Homo sapiens" +"sertindole" 2435 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.96 "Ki" "Displacement of [3H]-YM-09151-2 (0.06 nM) from human Dopamine receptor D4 expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12713" "Tchem" "Homo sapiens" +"sertindole" 2435 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 9.7 "Ki" "Displacement of [3H]prozosin from human cloned 5HT2C receptor expressed in CHO cells" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12713" "http://www.ncbi.nlm.nih.gov/pubmed/10991983" "INVERSE AGONIST" "Tclin" "Homo sapiens" +"sertindole" 2435 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.25 "Ki" "Ability to displace [3H]5-CT (1.5 nM) from HeLa cells of human 5-hydroxytryptamine 1B receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12713" "Tclin" "Homo sapiens" +"sertindole" 2435 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.22 "Ki" "Binding affinity towards Serotonin 5-hydroxytryptamine 2A receptor" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12713" "http://www.ncbi.nlm.nih.gov/pubmed/9469684" "ANTAGONIST" "Tclin" "Homo sapiens" +"sertindole" 2435 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 9.29 "Ki" "Displacement of [3H]prozosin from human cloned histamine H1 receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12713" "Tclin" "Homo sapiens" +"sertindole" 2435 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.59 "Ki" "Ability to displace [3H]spiperone (0.3 nM) from CHO cells of human Dopamine receptor D3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12713" "Tclin" "Homo sapiens" +"sertindole" 2435 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 7.92 "Ki" "Ability to displace [3H]-SCH- 23390 (0.2 nM) from corpus striatum of rat Dopamine receptor D1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12713" "Rattus norvegicus" +"sertindole" 2435 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 8.57 "IC50" "Inhibition of human cloned ERG expressed in CHO cells assessed as inhibition of potassium channel current by automated patch clamp assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12713" "Tclin" "Homo sapiens" +"sertindole" 2435 "Alpha-1D adrenergic receptor" "GPCR" "P23944" "Adra1d" "ADA1D_RAT" 9.18 "Ki" "Displacement of [3H]prazosin (0.3 nM) from rat Alpha-1D adrenergic receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12713" "Rattus norvegicus" +"sertindole" 2435 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 9.29 "Ki" "Displacement of [3H]mesulergine (0.5 nM) from rat 5-hydroxytryptamine 2C receptor expressed in SR-3T3 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12713" "Rattus norvegicus" +"sertindole" 2435 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 9.7 "Ki" "Displacement of [3H]ketanserin (0.5 nM) from rat cerebral cortex 5-hydroxytryptamine 2A receptors" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12713" "Rattus norvegicus" +"sertindole" 2435 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 8.85 "Ki" "Ability to displace [3H]prazosin (0.25 nM) from whole brain of rat alpha-1 adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12713" "Rattus norvegicus" +"sertindole" 2435 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 8.3 "Ki" "Displacement of [3H]5-LSD from human 5HT6 receptor expressed in human HeLa cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12713" "Tchem" "Homo sapiens" +"sertindole" 2435 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 9.43 "Ki" "Displacement of [3H]prazosin (0.3 nM) from bovine Alpha-1A adrenergic receptor expressed in BHK cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12713" "Bos taurus" +"sertindole" 2435 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 8.47 "IC50" "Displacement of [3H]prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12713" "Rattus norvegicus" +"sertindole" 2435 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 9.35 "Ki" "Displacement of [3H]spiperone (0.5 nM) from rat corpus striatum dopamine D2 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12713" "Rattus norvegicus" +"sertraline" 2436 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.88605642318726 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"sertraline" 2436 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.12781429290772 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"sertraline" 2436 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.72124624252319 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"sertraline" 2436 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.85387182235718 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"sertraline" 2436 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.67778062820435 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"sertraline" 2436 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.965371543 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sertraline" 2436 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.166591497 "Ki" "DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sertraline" 2436 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.106182776 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sertraline" 2436 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.665646792 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sertraline" 2436 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.246187216 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sertraline" 2436 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.081969663 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sertraline" 2436 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.186752699 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sertraline" 2436 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"sertraline" 2436 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.475084852 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"sertraline" 2436 "Melanocortin receptor 5" "GPCR" "P33032" "MC5R" "MC5R_HUMAN" 5.365200403 "Ki" "DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"sertraline" 2436 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 5.884722409 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"sertraline" 2436 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 9.07 "Ki" "Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL809" "Rattus norvegicus" +"sertraline" 2436 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 6.8 "Ki" "Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL809" "Rattus norvegicus" +"sertraline" 2436 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 7.11 "Ki" "Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL809" "Rattus norvegicus" +"sertraline" 2436 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 9.54 "Kd" "Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERT" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL809" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL809" "INHIBITOR" "Tclin" "Homo sapiens" +"sertraline" 2436 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.24 "Ki" "Binding affinity to sigma 1 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL809" "Tclin" "Homo sapiens" +"sertraline" 2436 "Transcriptional activator protein luxR" "Unclassified" "P12746" "luxR" "LUXR_ALIFS" 4.57 "IC50" "Inhibition of LuxR-dependent quorum sensing in Vibrio fischeri assessed as reduction of 3-oxo-C6-HSL-induced bioluminescence intensity" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL809" "Aliivibrio fischeri" +"sertraline" 2436 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 7.6 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"sertraline" 2436 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 6.8632 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"sertraline" 2436 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.38 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"setastine" 2437 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/1982751" "ANTAGONIST" "Tclin" "Homo sapiens" +"sevoflurane" 2439 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB01236" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200694" "POSITIVE MODULATOR" "Tclin" "Homo sapiens" +"sevoflurane" 2439 "GABA-A receptor; anion channel" "Ion channel" "O00591|O14764|P14867|P18505|P18507|P28472|P31644|P34903|P47869|P47870|P48169|P78334|Q16445|Q8N1C3|Q99928|Q9UN88" "GABRA1|GABRA2|GABRA3|GABRA4|GABRA5|GABRA6|GABRB1|GABRB2|GABRB3|GABRD|GABRE|GABRG1|GABRG2|GABRG3|GABRP|GABRQ" "GBRA1_HUMAN|GBRA2_HUMAN|GBRA3_HUMAN|GBRA4_HUMAN|GBRA5_HUMAN|GBRA6_HUMAN|GBRB1_HUMAN|GBRB2_HUMAN|GBRB3_HUMAN|GBRD_HUMAN|GBRE_HUMAN|GBRG1_HUMAN|GBRG2_HUMAN|GBRG3_HUMAN|GBRP_HUMAN|GBRT_HUMAN" "Mechanism of Action; CHEMBL2093872; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200694" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200694" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"sevoflurane" 2439 "Potassium channel subfamily K member 10" "Ion channel" "P57789" "KCNK10" "KCNKA_HUMAN" "Mechanism of Action; CHEMBL2331041; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200694" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200694" "OPENER" "Tclin" "Homo sapiens" +"sevoflurane" 2439 "Potassium channel subfamily K member 18" "Ion channel" "Q7Z418" "KCNK18" "KCNKI_HUMAN" "Mechanism of Action; CHEMBL2331042; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200694" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200694" "OPENER" "Tclin" "Homo sapiens" +"sevoflurane" 2439 "Potassium channel subfamily K member 3" "Ion channel" "O14649" "KCNK3" "KCNK3_HUMAN" "Mechanism of Action; CHEMBL2321613; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200694" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200694" "OPENER" "Tclin" "Homo sapiens" +"sevoflurane" 2439 "Potassium channel subfamily K member 9" "Ion channel" "Q9NPC2" "KCNK9" "KCNK9_HUMAN" "Mechanism of Action; CHEMBL2321614; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200694" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200694" "OPENER" "Tclin" "Homo sapiens" +"sevoflurane" 2439 "Potassium channel subfamily K member 2" "Ion channel" "O95069" "KCNK2" "KCNK2_HUMAN" "Mechanism of Action; CHEMBL2321615; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200694" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200694" "OPENER" "Tclin" "Homo sapiens" +"sibutramine" 2440 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.0255 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1419" "INHIBITOR" "Tclin" "Homo sapiens" +"sibutramine" 2440 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.962175249 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sibutramine" 2440 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.2635 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1419" "INHIBITOR" "Tclin" "Homo sapiens" +"sibutramine" 2440 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.5257 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1419" "INHIBITOR" "Tclin" "Homo sapiens" +"sibutramine" 2440 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.5376 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"sibutramine" 2440 "Potassium voltage-gated channel subfamily D member 3" "Ion channel" "Q9UK17" "KCND3" "KCND3_HUMAN" 4.7 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"sibutramine" 2440 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"sibutramine" 2440 "Potassium voltage-gated channel subfamily D member 3" "Unclassified" "Q62897" "Kcnd3" "KCND3_RAT" 4.7 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2586" "BLOCKER" "Rattus norvegicus" +"sildenafil" 2441 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "O76074" "PDE5A" "PDE5A_HUMAN" 9 "IC50" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4743" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL192" "INHIBITOR" "Tclin" "Homo sapiens" +"sildenafil" 2441 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 6.059981845 "Ki" "DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sildenafil" 2441 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.093664958 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"sildenafil" 2441 "Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha" "Enzyme" "P16499" "PDE6A" "PDE6A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"sildenafil" 2441 "Solute carrier organic anion transporter family member 1B3" "Transporter" "Q9NPD5" "SLCO1B3" "SO1B3_HUMAN" 6.1 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4743" "INHIBITOR" "Tchem" "Homo sapiens" +"sildenafil" 2441 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "O54735" "Pde5a" "PDE5A_RAT" 8.74 "Ki" "Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL192" "Rattus norvegicus" +"sildenafil" 2441 "High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A" "Enzyme" "Q13946" "PDE7A" "PDE7A_HUMAN" 5.33 "IC50" "Inhibition of human recombinant PDE7A1 at 1 uM by [3H]cGMP based tritium scintillation proximity assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL192" "Tclin" "Homo sapiens" +"sildenafil" 2441 "High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A" "Enzyme" "O76083" "PDE9A" "PDE9A_HUMAN" 5.47 "IC50" "Inhibition of Phosphodiesterase 9" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL192" "Tchem" "Homo sapiens" +"sildenafil" 2441 "Phosphodiesterase 4" "Enzyme" "P27815|Q07343|Q08493|Q08499" "PDE4A|PDE4B|PDE4C|PDE4D" "PDE4A_HUMAN|PDE4B_HUMAN|PDE4C_HUMAN|PDE4D_HUMAN" 5.11 "IC50" "Inhibition of human recombinant PDE4 (Phosphodiesterase 4)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL192" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"sildenafil" 2441 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.48 "IC50" "Inhibition of human Potassium channel HERG expressed in mammalian cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL192" "Tclin" "Homo sapiens" +"sildenafil" 2441 "Uncharacterized protein" "Enzyme" "E1BN64" "PDE3B" "E1BN64_BOVIN" 5.04 "IC50" "Inhibition of bovine aorta PDE3 (Phosphodiesterase 3)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL192" "Bos taurus" +"sildenafil" 2441 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "O77746" "PDE5A" "PDE5A_CANFA" 9 "IC50" "Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL192" "Canis familiaris" +"sildenafil" 2441 "Phosphodiesterase 1" "Enzyme" "Q01066|Q63421|Q9EPR9" "Pde1a|Pde1b|Pde1c" "PDE1B_RAT|PDE1C_RAT|Q9EPR9_RAT" 6.59 "IC50" "Inhibition of Phosphodiesterase 1 from rat liver" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL192" "Rattus norvegicus" +"sildenafil" 2441 "cAMP-specific 3',5'-cyclic phosphodiesterase 4D" "Enzyme" "Q08499" "PDE4D" "PDE4D_HUMAN" 4.7 "IC50" "Inhibition of human PDE4D" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL192" "Tclin" "Homo sapiens" +"sildenafil" 2441 "Multidrug resistance-associated protein 5" "Transporter" "O15440" "ABCC5" "MRP5_HUMAN" 5.92 "Ki" "Inhibition of ABCC5 in human erythrocytes assessed as inhibition of ATP-mediated [3H]cGMP uptake in inside-out vesicles after 60 mins by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL192" "Tchem" "Homo sapiens" +"sildenafil" 2441 "Indoleamine 2,3-dioxygenase 2" "Enzyme" "Q8R0V5" "Ido2" "I23O2_MOUSE" 5.35 "IC50" "Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL192" "Mus musculus" +"sildenafil" 2441 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 6.7 "Ki" "Displacement of [3H]ZM241385 from human AA2AR expressed in HEK293T cells after 2 hrs by liquid scintillation counter" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL192" "Tclin" "Homo sapiens" +"sildenafil" 2441 "Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'" "Enzyme" "P51160" "PDE6C" "PDE6C_HUMAN" 7.41 "IC50" "Inhibition of human recombinant PDE6C at 1 uM by [3H]cGMP based tritium scintillation proximity assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL192" "Tclin" "Homo sapiens" +"sildenafil" 2441 "Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha" "Enzyme" "P11541" "PDE6A" "PDE6A_BOVIN" 6.85 "IC50" "Inhibition of bovine retina PDE6" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL192" "Bos taurus" +"sildenafil" 2441 "Phosphodiesterase 1" "Enzyme" "P14100|Q01061" "PDE1A|PDE1B" "PDE1A_BOVIN|PDE1B_BOVIN" 6.4 "IC50" "Inhibition of Phosphodiesterase 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL192" "Bos taurus" +"sildenafil" 2441 "Phosphodiesterase 6" "Enzyme" "P04972|P11541|P16586|P22571|P23439|Q95142" "PDE6A|PDE6B|PDE6C|PDE6D|PDE6G|PDE6H" "CNCG_BOVIN|CNRG_BOVIN|PDE6A_BOVIN|PDE6B_BOVIN|PDE6C_BOVIN|PDE6D_BOVIN" 7.7 "IC50" "Inhibition of phosphodiesterase 6 from bovine retina" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL192" "Bos taurus" +"sildenafil" 2441 "Phosphodiesterase 1" "Enzyme" "P54750|Q01064|Q14123" "PDE1A|PDE1B|PDE1C" "PDE1A_HUMAN|PDE1B_HUMAN|PDE1C_HUMAN" 6.57 "IC50" "Inhibitory activity against phosphodiesterase-1 (PDE1) isolated from canine lung" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL192" "Tclin|Tclin|Tclin" "Homo sapiens" +"sildenafil" 2441 "Phosphodiesterase 2A" "Unclassified" "P14099" "PDE2A" "PDE2A_BOVIN" 4.37 "IC50" "Inhibitory activity against phosphodiesterase-2 (PDE2) isolated from bovine adrenal gland" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL192" "Bos taurus" +"sildenafil" 2441 "Phosphodiesterase 4" "Enzyme" "P14270|P14644|P14646|P54748" "Pde4a|Pde4b|Pde4c|Pde4d" "PDE4A_RAT|PDE4B_RAT|PDE4C_RAT|PDE4D_RAT" 5.34 "IC50" "Inhibitory concentration against phosphodiesterase 4 (PDE4) from rat kidney" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL192" "Rattus norvegicus" +"sildenafil" 2441 "Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'" "Enzyme" "P16586" "PDE6C" "PDE6C_BOVIN" 7.48 "IC50" "Inhibition of bovine cone PDE6" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL192" "Bos taurus" +"sildenafil" 2441 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "Q28156" "PDE5A" "PDE5A_BOVIN" 8.22 "IC50" "Inhibition of bovine aorta PDE5 (Phosphodiesterase 5)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL192" "Bos taurus" +"sildenafil" 2441 "Phosphodiesterase 3" "Enzyme" "Q13370|Q14432" "PDE3A|PDE3B" "PDE3A_HUMAN|PDE3B_HUMAN" 5.15 "IC50" "Inhibitory concentration against phosphodiesterase 3 from human platelet" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL192" "Tclin|Tclin" "Homo sapiens" +"sildenafil" 2441 "Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A" "Enzyme" "Q9HCR9" "PDE11A" "PDE11_HUMAN" 5.64 "IC50" "Inhibition of human phosphodiesterase 11" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL192" "Tchem" "Homo sapiens" +"sildenafil" 2441 "cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A" "Enzyme" "Q9Y233" "PDE10A" "PDE10_HUMAN" 5.51 "IC50" "Inhibitory concentration against human phosphodiesterase 10" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL192" "Tclin" "Homo sapiens" +"sildenafil" 2441 "High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A" "Enzyme" "O60658" "PDE8A" "PDE8A_HUMAN" 4 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL192" "Tclin" "Homo sapiens" +"sildenafil" 2441 "cGMP-dependent 3',5'-cyclic phosphodiesterase" "Enzyme" "O00408" "PDE2A" "PDE2A_HUMAN" 4.19999980926514 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL192" "Tclin" "Homo sapiens" +"silymarin" 2443 "P-glycoprotein 3" "Unclassified" "P21447" "Abcb1a" "MDR1A_MOUSE" 5.17 "Kd" "Compound was tested for the binding affinity towards recombinant NBD2 C-terminal cytotoxic nucleotide-binding domain of mouse P-Glycoprotein" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL431701" "Mus musculus" +"silymarin" 2443 "Xanthine dehydrogenase/oxidase" "Enzyme" "P22985" "Xdh" "XDH_RAT" 4.1 "IC50" "Inhibition of rat liver xanthine oxidase after 2 hrs by spectrophotometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL431701" "Rattus norvegicus" +"silymarin" 2443 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5.83 "Ki" "Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL431701" "Tclin" "Homo sapiens" +"silymarin" 2443 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.6 "Ki" "Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL431701" "Tclin" "Homo sapiens" +"silymarin" 2443 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 5.19 "Ki" "Inhibition of human carbonic anhydrase 3 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL431701" "Tclin" "Homo sapiens" +"silymarin" 2443 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.05 "Ki" "Inhibition of human carbonic anhydrase 4 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL431701" "Tclin" "Homo sapiens" +"silymarin" 2443 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 5.39 "Ki" "Inhibition of human carbonic anhydrase 5a after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL431701" "Tclin" "Homo sapiens" +"silymarin" 2443 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 5.34 "Ki" "Inhibition of human carbonic anhydrase 5b after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL431701" "Tclin" "Homo sapiens" +"silymarin" 2443 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 5.01 "Ki" "Inhibition of human carbonic anhydrase 6 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL431701" "Tclin" "Homo sapiens" +"silymarin" 2443 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 5.33 "Ki" "Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL431701" "Tclin" "Homo sapiens" +"silymarin" 2443 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 4.99 "Ki" "Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL431701" "Tclin" "Homo sapiens" +"silymarin" 2443 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.04 "Ki" "Inhibition of human carbonic anhydrase 12 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL431701" "Tclin" "Homo sapiens" +"silymarin" 2443 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 5.32 "Ki" "Inhibition of human carbonic anhydrase 13 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL431701" "Tclin" "Homo sapiens" +"silymarin" 2443 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 4.93 "Ki" "Inhibition of human carbonic anhydrase 14 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL431701" "Tclin" "Homo sapiens" +"silymarin" 2443 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 6.19 "Ki" "Inhibition of mouse carbonic anhydrase 15 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL431701" "Mus musculus" +"silymarin" 2443 "Urokinase-type plasminogen activator" "Enzyme" "P00749" "PLAU" "UROK_HUMAN" 4.68 "IC50" "Inhibition of urokinase amidolytic activity (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL431701" "Tchem" "Homo sapiens" +"silymarin" 2443 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 4.73 "Kd" "Inhibition of human thrombin assessed as equilibrium dissociation constant at 50 to 1000 uM by BIAcore analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL431701" "Tclin" "Homo sapiens" +"simvastatin" 2445 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P04035" "HMGCR" "HMDH_HUMAN" 7.77 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1064" "INHIBITOR" "Tclin" "Homo sapiens" +"simvastatin" 2445 "Nuclear receptor subfamily 1 group I member 3" "Nuclear hormone receptor" "Q14994" "NR1I3" "NR1I3_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"simvastatin" 2445 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Unclassified" "Q10283" "hmg1" "HMDH_SCHPO" 4.02 "IC50" "Inhibition of Schizosaccharomyces pombe HMG-CoA reductase by spectrophotometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1064" "Schizosaccharomyces pombe (strain 972 / ATCC 24843)" +"simvastatin" 2445 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 5.74 "Ki" "Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) assessed as inhibition of ATCh hydrolysis by Ellman method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1064" "Electrophorus electricus" +"simvastatin" 2445 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 6.12 "Ki" "Inhibition of Equus caballus (horse) serum butyrylcholinesterase (BChE) assessed as inhibition of BTCh hydrolysis by Ellman method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1064" "Equus caballus" +"simvastatin" 2445 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P51639" "Hmgcr" "HMDH_RAT" 8.37 "IC50" "Inhibition of HMGR in rat hepatic microsomes assessed as conversion of [14C]HMG-CoA to [14C]mevalonic acid" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1064" "Rattus norvegicus" +"sirolimus" 2446 "Peptidyl-prolyl cis-trans isomerase FKBP1A" "Enzyme" "P62942" "FKBP1A" "FKB1A_HUMAN" 8.96 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL413" "INHIBITOR" "Tclin" "Homo sapiens" +"sirolimus" 2446 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.698970004 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sirolimus" 2446 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.698970004 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"sirolimus" 2446 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 5.397940009 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"sirolimus" 2446 "Sodium/nucleoside cotransporter 1" "Transporter" "O00337" "SLC28A1" "S28A1_HUMAN" 6.430509046 "Ki" "DRUGMATRIX: Sodium/nucleoside co-transporter radioligand binding (ligand: nitrobenzylthioinosine)" "DRUG MATRIX" "=" "Tbio" "Homo sapiens" +"sirolimus" 2446 "Peptidyl-prolyl cis-trans isomerase FKBP3" "Enzyme" "Q00688" "FKBP3" "FKBP3_HUMAN" 9.7 "Kd" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"sirolimus" 2446 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 6.2 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"sirolimus" 2446 "Serine/threonine-protein kinase mTOR" "Kinase" "P42345" "MTOR" "MTOR_HUMAN" 10 "IC50" "Inhibition of mTOR kinase expressed in human HEK293 cells by Western blot analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL413" "Tclin" "Homo sapiens" +"sirolimus" 2446 "Eukaryotic translation initiation factor 4E" "Nuclear other" "P06730" "EIF4E" "IF4E_HUMAN" 9.3 "Kd" "Binding affinity to purified elF4E" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL413" "Tchem" "Homo sapiens" +"sirolimus" 2446 "Programmed cell death protein 4" "Unclassified" "Q53EL6" "PDCD4" "PDCD4_HUMAN" 7.3 "EC50" "Inhibition of TPA-induced degradation of Pdcd4 (amino acid 39-91) expressed in human HEK293 cells assessed as minimum compound concentration required for 50% recovery of Pdcd4-luciferase signal incubated for 8 hrs by luciferase reporter gene assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL413" "Tchem" "Homo sapiens" +"sirolimus" 2446 "Peptidyl-prolyl cis-trans isomerase FKBP5" "Enzyme" "Q13451" "FKBP5" "FKBP5_HUMAN" 8.52 "Ki" "Binding affinity to human FKBP51 by competitive fluorescence polarization assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL413" "Tchem" "Homo sapiens" +"sirolimus" 2446 "Peptidyl-prolyl cis-trans isomerase FKBP1B" "Enzyme" "P68106" "FKBP1B" "FKB1B_HUMAN" 9.69999980926514 "Kd" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL413" "Tchem" "Homo sapiens" +"sisomicin" 2447 "30S ribosomal protein S12" "Cytosolic other" "P0A7S3" "rpsL" "RS12_ECOLI" "WOMBAT-PK" "Escherichia coli (strain K12)" +"sitagliptin" 2448 "Dipeptidyl peptidase 2" "Enzyme" "Q9UHL4" "DPP7" "DPP2_HUMAN" 4.21999979019165 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1422" "Tchem" "Homo sapiens" +"sitagliptin" 2448 "Dipeptidyl peptidase 4" "Enzyme" "P27487" "DPP4" "DPP4_HUMAN" 7.774 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1422" "INHIBITOR" "Tclin" "Homo sapiens" +"sitagliptin" 2448 "Dipeptidyl peptidase 4" "Enzyme" "P28843" "Dpp4" "DPP4_MOUSE" 7.16 "IC50" "Inhibition of mouse DPP4 at 3 mg/kg" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1422" "Mus musculus" +"sitagliptin" 2448 "Dipeptidyl peptidase 8" "Enzyme" "Q6V1X1" "DPP8" "DPP8_HUMAN" 4.96 "IC50" "Inhibition of human DPP8 expressed in HEK293 cells using Ala-Pro-p-nitroanilide hydrochloride salt as substrate preincubated for 10 mins prior to addition of substrate measured after 30 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1422" "Tchem" "Homo sapiens" +"sitagliptin" 2448 "Dipeptidyl peptidase 9" "Enzyme" "Q86TI2" "DPP9" "DPP9_HUMAN" 4.7 "IC50" "Inhibition of human DPP9 expressed in HEK293 cells using Ala-Pro-p-nitroanilide hydrochloride salt as substrate preincubated for 10 mins prior to addition of substrate measured after 30 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1422" "Tchem" "Homo sapiens" +"sitagliptin" 2448 "Prolyl endopeptidase FAP" "Enzyme" "Q12884" "FAP" "SEPR_HUMAN" 5.23000001907349 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1422" "Tchem" "Homo sapiens" +"sitafloxacin" 2449 "DNA gyrase subunit B" "Enzyme" "P0AES7" "gyrB" "GYRB_ECO57" "WOMBAT-PK" "Escherichia coli O157:H7" +"sitafloxacin" 2449 "DNA topoisomerase 4 subunit A" "Enzyme" "P72525" "parC" "PARC_STRPN" "WOMBAT-PK" "Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)" +"sitosterol" 2451 "Nuclear factor NF-kappa-B p105 subunit" "Cytosolic other" "P19838" "NFKB1" "NFKB1_HUMAN" 5.6 "IC50" "Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53569" "Tclin" "Homo sapiens" +"sitosterol" 2451 "DNA polymerase beta" "Enzyme" "P06746" "POLB" "DPOLB_HUMAN" 4.57999992370606 "IC50" "Inhibition of DNA polymerase beta lyase activity by deoxyribose phosphate excision assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53569" "Tchem" "Homo sapiens" +"sitosterol" 2451 "Dipeptidyl peptidase 4" "Enzyme" "P27487" "DPP4" "DPP4_HUMAN" 4.53999996185303 "IC50" "Inhibition of human DPP4 using H-Gly-Pro-AMC peptide substrate assessed as increase in fluorescence for 20 mins by fluorimetric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53569" "Tclin" "Homo sapiens" +"sivelestat" 2452 "Myeloblastin" "Unclassified" "P24158" "PRTN3" "PRTN3_HUMAN" 6.46999979019165 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76688" "Tchem" "Homo sapiens" +"sivelestat" 2452 "Neutrophil elastase" "Enzyme" "P08246" "ELANE" "ELNE_HUMAN" 6.7 "Ki" "Binding affinity against Elastase." "CHEMBL" "=" 1 "IUPHAR" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76688" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6441" "Tclin" "Homo sapiens" +"sivelestat" 2452 "Neutrophil elastase" "Unclassified" "Q3UP87" "Elane" "ELNE_MOUSE" 6.84 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76688" "Mus musculus" +"solifenacin" 2457 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.24 "IC50" "Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1734" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1734" "ANTAGONIST" "Tclin" "Homo sapiens" +"solifenacin" 2457 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.2 "IC50" "Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1734" "Tclin" "Homo sapiens" +"solifenacin" 2457 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 8 "Ki" "Binding affinity for rat cortex muscarinic acetylcholine receptor M1 using [3H]pirenzepine" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1734" "Rattus norvegicus" +"solifenacin" 2457 "Muscarinic acetylcholine receptor M3" "GPCR" "P08483" "Chrm3" "ACM3_RAT" 8 "Ki" "Binding affinity for rat salivary gland muscarinic acetylcholine receptor M3 using [3H]N-methylscopolamine" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1734" "Rattus norvegicus" +"solifenacin" 2457 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 6.92 "Ki" "Binding affinity for rat heart muscarinic acetylcholine receptor M2 using [3H]quinuclidinyl benzilate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1734" "Rattus norvegicus" +"solifenacin" 2457 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.88 "IC50" "Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1734" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1734" "ANTAGONIST" "Tclin" "Homo sapiens" +"solifenacin" 2457 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7483" "ANTAGONIST" "Tclin" "Homo sapiens" +"solifenacin" 2457 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7483" "ANTAGONIST" "Tclin" "Homo sapiens" +"sorafenib" 2459 "Cyclin-dependent kinase 8" "Kinase" "P49336" "CDK8" "CDK8_HUMAN" 6.51 "Kd" "Binding constant for CDK8 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Cyclin-dependent kinase-like 2" "Kinase" "Q92772" "CDKL2" "CDKL2_HUMAN" 6.89 "Kd" "Binding affinity to CDKL2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tbio" "Homo sapiens" +"sorafenib" 2459 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 6.89 "Kd" "Average Binding Constant for ABL1; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tclin" "Homo sapiens" +"sorafenib" 2459 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 8.35 "Kd" "Binding constant for FLT3(K663Q) kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "INHIBITOR" "Tclin" "Homo sapiens" +"sorafenib" 2459 "Muscle, skeletal receptor tyrosine-protein kinase" "Kinase" "O15146" "MUSK" "MUSK_HUMAN" 6.89 "Kd" "Binding constant for MUSK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Vascular endothelial growth factor receptor 1" "Kinase" "P17948" "FLT1" "VGFR1_HUMAN" 7.51 "Kd" "Binding constant for FLT1 kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "INHIBITOR" "Tclin" "Homo sapiens" +"sorafenib" 2459 "Mitogen-activated protein kinase 9" "Kinase" "P45984" "MAPK9" "MK09_HUMAN" 5.44 "Kd" "Average Binding Constant for JNK2; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 6.41 "IC50" "Inhibition of recombinant c-Src by radioactive phosphotransfer assay in presence of 10 uM ATP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tclin" "Homo sapiens" +"sorafenib" 2459 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 10.68 "Ki" "Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 after 60 mins by activity based 100 fold dilution assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "INHIBITOR" "Tclin" "Homo sapiens" +"sorafenib" 2459 "Fibroblast growth factor receptor 3" "Kinase" "P22607" "FGFR3" "FGFR3_HUMAN" 5.38 "Kd" "Binding constant for FGFR3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tclin" "Homo sapiens" +"sorafenib" 2459 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" 5.28 "IC50" "Inhibition of recombinant INSR by radioactive phosphotransfer assay in presence of 10 uM ATP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "AGONIST" "Tclin" "Homo sapiens" +"sorafenib" 2459 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 7.21 "Kd" "Binding constant for PDGFRA kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tclin" "Homo sapiens" +"sorafenib" 2459 "Myosin-IIIb" "Kinase" "Q8WXR4" "MYO3B" "MYO3B_HUMAN" 5.15 "Kd" "Binding constant for MYO3B kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tdark" "Homo sapiens" +"sorafenib" 2459 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.93 "Ki" "Displacement of [3H]8-OH-DPAT from 5HT1A receptor after 1.5 hrs by scintillation counter" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tclin" "Homo sapiens" +"sorafenib" 2459 "Cyclin-dependent kinase 15" "Kinase" "Q96Q40" "CDK15" "CDK15_HUMAN" 5.54 "Kd" "Binding affinity to PFTAIRE2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tdark" "Homo sapiens" +"sorafenib" 2459 "Receptor-interacting serine/threonine-protein kinase 2" "Kinase" "O43353" "RIPK2" "RIPK2_HUMAN" 5.89 "Kd" "Binding constant for RIPK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Ephrin type-B receptor 4" "Kinase" "P54760" "EPHB4" "EPHB4_HUMAN" 5.74 "Kd" "Binding constant for EPHB4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Vascular endothelial growth factor receptor 2" "Kinase" "Q5GIT4" "kdr" "VGFR2_DANRE" 5.59 "IC50" "Inhibition of VEGFR2 in transgenic zebrafish embryo assessed as inhibition of intersegmental vessels formation measured 33 hrs post fertilization by fluorescence microscopic analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Danio rerio" +"sorafenib" 2459 "Ribosomal protein S6 kinase alpha-6" "Kinase" "Q9UK32" "RPS6KA6" "KS6A6_HUMAN" 5.12 "Kd" "Binding constant for RPS6KA6(Kin.Dom.2 - N-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Aurora kinase A" "Kinase" "O14965" "AURKA" "AURKA_HUMAN" 5.42 "IC50" "Inhibition of recombinant GST-tagged Aurora A expressed in Sf9 insect cells after 90 mins by Kinase-Glo assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Dual specificity mitogen-activated protein kinase kinase 5" "Kinase" "Q13163" "MAP2K5" "MP2K5_HUMAN" 6.72 "Kd" "Binding constant for MEK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Mitogen-activated protein kinase kinase kinase MLT" "Kinase" "Q9NYL2" "ZAK" "MLTK_HUMAN" 8.2 "Kd" "Binding constant for ZAK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Homeodomain-interacting protein kinase 3" "Kinase" "Q9H422" "HIPK3" "HIPK3_HUMAN" 6.41 "Kd" "Binding affinity to HIPK3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tbio" "Homo sapiens" +"sorafenib" 2459 "Homeodomain-interacting protein kinase 2" "Kinase" "Q9H2X6" "HIPK2" "HIPK2_HUMAN" 5.77 "Kd" "Binding affinity to HIPK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "RAF proto-oncogene serine/threonine-protein kinase" "Kinase" "P04049" "RAF1" "RAF1_HUMAN" 8.22 "Ki" "Inhibition of C-RAF" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "INHIBITOR" "Tclin" "Homo sapiens" +"sorafenib" 2459 "Cyclin-dependent kinase-like 3" "Kinase" "Q8IVW4" "CDKL3" "CDKL3_HUMAN" 6.31 "Kd" "Binding affinity to CDKL3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tbio" "Homo sapiens" +"sorafenib" 2459 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.38 "Ki" "Displacement of [3H]LSD from 5HT2C receptor after 1.5 hrs by scintillation counter" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tclin" "Homo sapiens" +"sorafenib" 2459 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.71 "Ki" "Displacement of [3H]Ketanserin from 5HT2A receptor after 1.5 hrs by scintillation counter" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tclin" "Homo sapiens" +"sorafenib" 2459 "Ephrin type-A receptor 1" "Kinase" "P21709" "EPHA1" "EPHA1_HUMAN" 5.51 "Kd" "Binding constant for EPHA1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Mitogen-activated protein kinase kinase kinase kinase 1" "Kinase" "Q92918" "MAP4K1" "M4K1_HUMAN" 5.32 "Kd" "Binding constant for HPK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Mitogen-activated protein kinase 15" "Kinase" "Q8TD08" "MAPK15" "MK15_HUMAN" 7.34 "Kd" "Binding constant for ERK8 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "MAP kinase-interacting serine/threonine-protein kinase 1" "Kinase" "Q9BUB5" "MKNK1" "MKNK1_HUMAN" 6.64 "Kd" "Binding constant for full-length MKNK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Serine/threonine-protein kinase B-raf" "Kinase" "P15056" "BRAF" "BRAF_HUMAN" 7.66 "Ki" "Inhibition of B-Raf" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "INHIBITOR" "Tclin" "Homo sapiens" +"sorafenib" 2459 "Tyrosine-protein kinase Fgr" "Kinase" "P09769" "FGR" "FGR_HUMAN" 5.11 "Kd" "Binding constant for FGR kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Mitogen-activated protein kinase kinase kinase 7" "Kinase" "O43318" "MAP3K7" "M3K7_HUMAN" 6.16 "Kd" "Binding affinity to TAK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Tyrosine-protein kinase FRK" "Kinase" "P42685" "FRK" "FRK_HUMAN" 6.36 "Kd" "Average Binding Constant for FRK; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Dual specificity protein kinase CLK1" "Kinase" "P49759" "CLK1" "CLK1_HUMAN" 5.12 "Kd" "Binding constant for CLK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Homeodomain-interacting protein kinase 1" "Kinase" "Q86Z02" "HIPK1" "HIPK1_HUMAN" 5.96 "Kd" "Binding affinity to HIPK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tbio" "Homo sapiens" +"sorafenib" 2459 "Ephrin type-A receptor 8" "Kinase" "P29322" "EPHA8" "EPHA8_HUMAN" 6.02 "Kd" "Average Binding Constant for EPHA8; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Dual specificity protein kinase TTK" "Kinase" "P33981" "TTK" "TTK_HUMAN" 5.46 "Kd" "Binding constant for TTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Ephrin type-A receptor 2" "Kinase" "P29317" "EPHA2" "EPHA2_HUMAN" 5.7 "Kd" "Binding constant for EPHA2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tclin" "Homo sapiens" +"sorafenib" 2459 "Ephrin type-A receptor 3" "Kinase" "P29320" "EPHA3" "EPHA3_HUMAN" 5.72 "Kd" "Binding constant for EPHA3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 6.85 "Kd" "Average Binding Constant for STK10; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Serine/threonine-protein kinase PLK4" "Kinase" "O00444" "PLK4" "PLK4_HUMAN" 5.47 "Kd" "Average Binding Constant for STK18; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 5.14 "Kd" "Binding constant for JAK3(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tclin" "Homo sapiens" +"sorafenib" 2459 "Tyrosine-protein kinase ABL1" "Kinase" "P00520" "Abl1" "ABL1_MOUSE" 6.65 "IC50" "Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Mus musculus" +"sorafenib" 2459 "Tyrosine-protein kinase CSK" "Kinase" "P41240" "CSK" "CSK_HUMAN" 5.54 "Kd" "Binding affinity to CSK" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Serine/threonine-protein kinase TAO1" "Kinase" "Q7L7X3" "TAOK1" "TAOK1_HUMAN" 6.27 "Kd" "Binding affinity to TAO1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tbio" "Homo sapiens" +"sorafenib" 2459 "Serine/threonine-protein kinase TNNI3K" "Kinase" "Q59H18" "TNNI3K" "TNI3K_HUMAN" 6.55 "Kd" "Binding constant for full-length TNNI3K" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Tyrosine-protein kinase HCK" "Kinase" "P08631" "HCK" "HCK_HUMAN" 5.07 "Kd" "Binding constant for HCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tclin" "Homo sapiens" +"sorafenib" 2459 "Aurora kinase C" "Kinase" "Q9UQB9" "AURKC" "AURKC_HUMAN" 6.68 "Kd" "Binding constant for full-length AURKC" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "High affinity nerve growth factor receptor" "Kinase" "P04629" "NTRK1" "NTRK1_HUMAN" 5.44 "Kd" "Average Binding Constant for NTRK1; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tclin" "Homo sapiens" +"sorafenib" 2459 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 7.43 "Kd" "Binding constant for PDGFRB kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "INHIBITOR" "Tclin" "Homo sapiens" +"sorafenib" 2459 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 5.6 "Kd" "Average Binding Constant for FGFR1; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tclin" "Homo sapiens" +"sorafenib" 2459 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" 5.57 "Kd" "Binding constant for FGFR2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tclin" "Homo sapiens" +"sorafenib" 2459 "Citron Rho-interacting kinase" "Kinase" "O14578" "CIT" "CTRO_HUMAN" 5.21 "Kd" "Binding constant for CIT kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tbio" "Homo sapiens" +"sorafenib" 2459 "Homeodomain-interacting protein kinase 4" "Kinase" "Q8NE63" "HIPK4" "HIPK4_HUMAN" 8.57 "Kd" "Binding affinity to HIPK4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Mitogen-activated protein kinase kinase kinase kinase 5" "Kinase" "Q9Y4K4" "MAP4K5" "M4K5_HUMAN" 5.8 "Kd" "Binding constant for MAP4K5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Serine/threonine-protein kinase 36" "Kinase" "Q9NRP7" "STK36" "STK36_HUMAN" 5.42 "Kd" "Binding constant for STK36 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tbio" "Homo sapiens" +"sorafenib" 2459 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 7.8 "Kd" "Binding constant for KIT(V559D) kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "INHIBITOR" "Tclin" "Homo sapiens" +"sorafenib" 2459 "Ephrin type-A receptor 6" "Kinase" "Q9UF33" "EPHA6" "EPHA6_HUMAN" 6.62 "Kd" "Average Binding Constant for EPHA6; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "TRAF2 and NCK-interacting protein kinase" "Kinase" "Q9UKE5" "TNIK" "TNIK_HUMAN" 5.1 "Kd" "Binding constant for TNIK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Aurora kinase B" "Kinase" "Q96GD4" "AURKB" "AURKB_HUMAN" 6.36 "Kd" "Binding constant for AURKB kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "STE20-like serine/threonine-protein kinase" "Kinase" "Q9H2G2" "SLK" "SLK_HUMAN" 6 "Kd" "Binding constant for SLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.25 "Ki" "Displacement of [3H]LSD from 5HT2B receptor after 1.5 hrs by scintillation counter" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tclin" "Homo sapiens" +"sorafenib" 2459 "MAP kinase-interacting serine/threonine-protein kinase 2" "Kinase" "Q9HBH9" "MKNK2" "MKNK2_HUMAN" 6.89 "Kd" "Binding constant for MKNK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Ephrin type-A receptor 7" "Kinase" "Q15375" "EPHA7" "EPHA7_HUMAN" 6.17 "Kd" "Average Binding Constant for EPHA7; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Serine/threonine-protein kinase TAO2" "Kinase" "Q9UL54" "TAOK2" "TAOK2_HUMAN" 6.27 "Kd" "Binding constant for TAOK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tbio" "Homo sapiens" +"sorafenib" 2459 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 5.52 "Kd" "Binding constant for LYN kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tclin" "Homo sapiens" +"sorafenib" 2459 "Ephrin type-A receptor 5" "Kinase" "P54756" "EPHA5" "EPHA5_HUMAN" 6.44 "Kd" "Average Binding Constant for EPHA5; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "LIM domain kinase 1" "Kinase" "P53667" "LIMK1" "LIMK1_HUMAN" 5.8 "Kd" "Binding constant for full-length LIMK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Ephrin type-A receptor 4" "Kinase" "P54764" "EPHA4" "EPHA4_HUMAN" 5.89 "Kd" "Average Binding Constant for EPHA4; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Ephrin type-B receptor 1" "Kinase" "P54762" "EPHB1" "EPHB1_HUMAN" 5.77 "Kd" "Average Binding Constant for EPHB1; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "NT-3 growth factor receptor" "Kinase" "Q16288" "NTRK3" "NTRK3_HUMAN" 6.22 "Kd" "Binding constant for TRKC kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tclin" "Homo sapiens" +"sorafenib" 2459 "Cyclin-dependent kinase 2" "Kinase" "P24941" "CDK2" "CDK2_HUMAN" 5.06 "Kd" "Binding constant for CDK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Abelson tyrosine-protein kinase 2" "Kinase" "P42684" "ABL2" "ABL2_HUMAN" 5.89 "Kd" "Average Binding Constant for ABL2; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 5.68 "Kd" "Binding constant for TIE2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tclin" "Homo sapiens" +"sorafenib" 2459 "Calcium-dependent protein kinase 1" "Kinase" "P62344" "CPK1" "CDPK1_PLAF7" 6.66 "Kd" "Binding constant for PFCDPK1(P.falciparum) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Plasmodium falciparum" +"sorafenib" 2459 "Ephrin type-B receptor 6" "Kinase" "O15197" "EPHB6" "EPHB6_HUMAN" 6.62 "Kd" "Binding affinity to EPHB6" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 5.48 "Ki" "Displacement of [3H]LSD from 5HT5A receptor after 1.5 hrs by scintillation counter" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Bifunctional epoxide hydrolase 2" "Enzyme" "P34913" "EPHX2" "HYES_HUMAN" 7.92 "IC50" "Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carbonate conversion to 6-methoxy-2-naphthaldehyde preincubated for 5 mins prior to substrate addition by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.21 "Ki" "Displacement of [3H]LSD from 5HT6 receptor after 1.5 hrs by scintillation counter" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Serine/threonine-protein kinase TAO3" "Kinase" "Q9H2K8" "TAOK3" "TAOK3_HUMAN" 5.57 "Kd" "Binding affinity to TAOK3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tbio" "Homo sapiens" +"sorafenib" 2459 "Tyrosine-protein kinase Srms" "Kinase" "Q9H3Y6" "SRMS" "SRMS_HUMAN" 5.01 "Kd" "Binding constant for SRMS kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Casein kinase I isoform alpha" "Kinase" "P48729" "CSNK1A1" "KC1A_HUMAN" 6.6 "IC50" "Inhibition of recombinant CK1 by radioactive phosphotransfer assay in presence of 10 uM ATP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Cyclin-dependent kinase 3" "Kinase" "Q00526" "CDK3" "CDK3_HUMAN" 5.42 "Kd" "Binding constant for CDK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Cyclin-dependent kinase 7" "Kinase" "P50613" "CDK7" "CDK7_HUMAN" 6.85 "Kd" "Binding constant for full-length CDK7" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.08 "Kd" "Binding constant for FYN kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tclin" "Homo sapiens" +"sorafenib" 2459 "Macrophage colony-stimulating factor 1 receptor" "Kinase" "P07333" "CSF1R" "CSF1R_HUMAN" 7.55 "Kd" "Binding constant for CSF1R kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tclin" "Homo sapiens" +"sorafenib" 2459 "Vascular endothelial growth factor receptor 3" "Kinase" "P35916" "FLT4" "VGFR3_HUMAN" 7.8 "Kd" "Average Binding Constant for FLT4; NA=Not Active at 10 uM" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "INHIBITOR" "Tclin" "Homo sapiens" +"sorafenib" 2459 "Discoidin domain-containing receptor 2" "Kinase" "Q16832" "DDR2" "DDR2_HUMAN" 8.18 "Kd" "Binding constant for DDR2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Cyclin-dependent kinase 17" "Kinase" "Q00537" "CDK17" "CDK17_HUMAN" 5.8 "Kd" "Binding constant for full-length PCTK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Tyrosine-protein kinase receptor Tie-1" "Kinase" "P35590" "TIE1" "TIE1_HUMAN" 7.17 "Kd" "Binding constant for TIE1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Cyclin-dependent kinase 14" "Kinase" "O94921" "CDK14" "CDK14_HUMAN" 5.54 "Kd" "Binding constant for full-length PFTK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "TGF-beta receptor type-2" "Kinase" "P37173" "TGFBR2" "TGFR2_HUMAN" 5.16 "Kd" "Binding constant for TGFBR2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 8.13 "Kd" "Binding constant for RET(M918T) kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "INHIBITOR" "Tclin" "Homo sapiens" +"sorafenib" 2459 "Epithelial discoidin domain-containing receptor 1" "Kinase" "Q08345" "DDR1" "DDR1_HUMAN" 8.82 "Kd" "Binding constant for DDR1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Mitogen-activated protein kinase kinase kinase kinase 4" "Kinase" "O95819" "MAP4K4" "M4K4_HUMAN" 5.32 "Kd" "Binding constant for MAP4K4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 5.57 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tclin" "Homo sapiens" +"sorafenib" 2459 "Mitogen-activated protein kinase 13" "Kinase" "O15264" "MAPK13" "MK13_HUMAN" 5.18 "Kd" "Binding affinity to p38-delta" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Myosin light chain kinase 2, skeletal/cardiac muscle" "Kinase" "Q9H1R3" "MYLK2" "MYLK2_HUMAN" 5.89 "Kd" "Average Binding Constant for MYLK2; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tbio" "Homo sapiens" +"sorafenib" 2459 "Mitogen-activated protein kinase kinase kinase 19" "Kinase" "Q56UN5" "MAP3K19" "M3K19_HUMAN" 7 "Kd" "Binding affinity to YSK4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Tyrosine-protein kinase receptor UFO" "Kinase" "P30530" "AXL" "UFO_HUMAN" 5.35 "Kd" "Binding constant for AXL kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "BDNF/NT-3 growth factors receptor" "Kinase" "Q16620" "NTRK2" "NTRK2_HUMAN" 5.68 "Kd" "Binding constant for TRKB kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tclin" "Homo sapiens" +"sorafenib" 2459 "Ephrin type-B receptor 2" "Kinase" "P29323" "EPHB2" "EPHB2_HUMAN" 5.72 "Kd" "Binding constant for EPHB2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Mitogen-activated protein kinase 11" "Kinase" "Q15759" "MAPK11" "MK11_HUMAN" 6.7 "Kd" "Average Binding Constant for p38-beta; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "LIM domain kinase 2" "Kinase" "P53671" "LIMK2" "LIMK2_HUMAN" 5.02 "Kd" "Binding constant for LIMK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Myosin light chain kinase 3" "Kinase" "Q32MK0" "MYLK3" "MYLK3_HUMAN" 5.02 "Kd" "Binding constant for MLCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 5.15 "Ki" "Displacement of [3H]LSD from 5HT7 receptor after 1.5 hrs by scintillation counter" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tclin" "Homo sapiens" +"sorafenib" 2459 "Cyclin-dependent-like kinase 5" "Kinase" "Q00535" "CDK5" "CDK5_HUMAN" 5.21 "Kd" "Average Binding Constant for CDK5; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Cyclin-dependent kinase 19" "Kinase" "Q9BWU1" "CDK19" "CDK19_HUMAN" 6.6 "Kd" "Binding constant for CDK11 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Serine/threonine-protein kinase 33" "Kinase" "Q9BYT3" "STK33" "STK33_HUMAN" 5.62 "Kd" "Binding constant for full-length STK33" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Serine/threonine-protein kinase NLK" "Kinase" "Q9UBE8" "NLK" "NLK_HUMAN" 6.19 "Kd" "Binding constant for full-length NLK" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Mitogen-activated protein kinase 12" "Kinase" "P53778" "MAPK12" "MK12_HUMAN" 5.12 "Kd" "Binding constant for full-length p38-gamma" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Tyrosine-protein kinase Mer" "Kinase" "Q12866" "MERTK" "MERTK_HUMAN" 5.44 "Kd" "Binding constant for MERTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 6.59 "Kd" "Average Binding Constant for p38-alpha; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Non-receptor tyrosine-protein kinase TNK1" "Kinase" "Q13470" "TNK1" "TNK1_HUMAN" 5.64 "Kd" "Binding constant for full-length TNK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Mitogen-activated protein kinase 3" "Kinase" "P27361" "MAPK3" "MK03_HUMAN" 7.74 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Mitogen-activated protein kinase 1" "Kinase" "P28482" "MAPK1" "MK01_HUMAN" 6.96 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Tchem" "Homo sapiens" +"sorafenib" 2459 "Purine nucleoside phosphorylase" "Unclassified" "Q8T9Z7" "PNP" "Q8T9Z7_PLAFA" 7.9 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "Plasmodium falciparum" +"sorafenib" 2459 "Platelet-derived growth factor receptor beta" "Unclassified" "P05622" "Pdgfrb" "PGFRB_MOUSE" 7.24 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=5711" "INHIBITOR" "Mus musculus" +"sorafenib" 2459 "Vascular endothelial growth factor receptor 3" "Unclassified" "P35917" "Flt4" "VGFR3_MOUSE" 7.7 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=5711" "INHIBITOR" "Mus musculus" +"sorivudine" 2463 "Thymidine kinase" "Kinase" "Q9QNF7" "TK" "KITH_HHV1" 5.44 "IC50" "Inhibition of HSV1 TK assessed as [methyl-3H]dThd phosphorylation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL70046" "Human herpesvirus 1" +"sorivudine" 2463 "Thymidine kinase, mitochondrial" "Kinase" "O00142" "TK2" "KITM_HUMAN" 4.98 "Ki" "Inhibition of thymidine kinase 2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL70046" "Tchem" "Homo sapiens" +"sorivudine" 2463 "Deoxynucleoside kinase" "Kinase" "Q9XZT6" "dnk" "DNK_DROME" 4.55 "IC50" "Inhibition of Drosophila melanogaster dNK assessed as [methyl-3H]dThd phosphorylation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL70046" "Drosophila melanogaster" +"sorivudine" 2463 "Thymidine kinase" "Kinase" "P09250" "KITH_VZVD" 5.49 "IC50" "Inhibition of VZV TK assessed as [methyl-3H]dThd phosphorylation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL70046" "Varicella-zoster virus (strain Dumas)" +"sotalol" 2464 "Beta-2 adrenergic receptor" "GPCR" "Q28044" "ADRB2" "ADRB2_BOVIN" 6.24 "Kd" "Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL471" "Bos taurus" +"sotalol" 2464 "Beta-2 adrenergic receptor" "GPCR" "P54833" "ADRB2" "ADRB2_CANFA" 5.3 "IC50" "In vitro Beta-2 adrenergic receptor affinity in partially purified membrane fractions from canine lung tissue using [SH]dihydroalprenolol (4.5 nM)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL471" "Canis familiaris" +"sotalol" 2464 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL471" "BLOCKER" "Tclin" "Homo sapiens" +"sotalol" 2464 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.9 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL471" "ANTAGONIST" "Tclin" "Homo sapiens" +"sotalol" 2464 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.1 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL471" "ANTAGONIST" "Tclin" "Homo sapiens" +"sparfloxacin" 2466 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.413194478 "Ki" "DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sparfloxacin" 2466 "Topoisomerase IV" "Enzyme" "P0AFI2|P20083" "parC|parE" "PARC_ECOLI|PARE_ECOLI" "Mechanism of Action; CHEMBL2363076; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL850" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL850" "INHIBITOR" "Escherichia coli (strain K12)" +"sparfloxacin" 2466 "DNA gyrase" "Enzyme" "P0AES4|P0AES6" "gyrA|gyrB" "GYRA_ECOLI|GYRB_ECOLI" "Mechanism of Action; CHEMBL2311224; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL850" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL850" "INHIBITOR" "Escherichia coli (strain K12)" +"spectinomycin" 2468 "30S ribosomal protein S12" "Cytosolic other" "P0A7S3" "rpsL" "RS12_ECOLI" "WOMBAT-PK" "Escherichia coli (strain K12)" +"spiperone" 2470 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.32221984863281 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"spiperone" 2470 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 8.40011692047119 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"spiperone" 2470 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 5.29662275314331 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"spiperone" 2470 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=99" "ANTAGONIST" "Tclin" "Homo sapiens" +"spiperone" 2470 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 9.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=99" "ANTAGONIST" "Tclin" "Homo sapiens" +"spiperone" 2470 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.1 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=99" "ANTAGONIST" "Tclin" "Homo sapiens" +"spiperone" 2470 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=99" "ANTAGONIST" "Tclin" "Homo sapiens" +"spiperone" 2470 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 5.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=99" "ANTAGONIST" "Tchem" "Homo sapiens" +"spiperone" 2470 "5-hydroxytryptamine receptor 7" "GPCR" "P32304" "Htr7" "5HT7R_MOUSE" 7.2 "Ki" "Binding affinity towards mouse 5-hydroxytryptamine 7 receptor was evaluated using [3H]5-HT as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267930" "Mus musculus" +"spiperone" 2470 "Dopamine receptor" "Unclassified" "P30728|P51436|P61168|Q61616|Q8BLD9" "Drd1|Drd2|Drd3|Drd4|Drd5" "DRD1_MOUSE|DRD2_MOUSE|DRD3_MOUSE|DRD4_MOUSE|DRD5_MOUSE" 4.46 "IC50" "Ability (10 ug/kg) to inhibit binding of [125I]iododexetimide to Dopamine receptor of mice" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267930" "Mus musculus" +"spiperone" 2470 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 8 "Ki" "Binding affinity towards rat 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267930" "Rattus norvegicus" +"spiperone" 2470 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm2|Chrm3|Chrm4|Chrm5" "ACM1_RAT|ACM2_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT" 4.3 "Ki" "Displacement of [3H]- QNB binding at the muscarinic-cholinergic binding site of rat brain S1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267930" "Rattus norvegicus" +"spiperone" 2470 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.4 "Kd" "Binding affinity to 5HT1A receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267930" "Tclin" "Homo sapiens" +"spiperone" 2470 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 6.22 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267930" "Tclin|Tclin|Tclin" "Homo sapiens" +"spiperone" 2470 "Vesicular acetylcholine transporter" "Transporter" "Q62666" "Slc18a3" "VACHT_RAT" 5.99 "Ki" "Displacement of [125I]O-iodo-trans-decalinvesamicol from VAChT in Sprague-Dawley rat cerebral membrane after 1 hr by gamma counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267930" "Rattus norvegicus" +"spiperone" 2470 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 4.2 "Ki" "Binding affinity towards human 5-hydroxytryptamine 5A receptor was evaluated using [3H]-5-CT as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267930" "Tchem" "Homo sapiens" +"spiperone" 2470 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2a|Htr2b|Htr2c" "5HT2A_RAT|5HT2B_RAT|5HT2C_RAT" 9.35 "Ki" "The compound was tested in vitro for binding affinity towards 5-hydroxytryptamine 2 receptor by displacing [125]I-LSD radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267930" "Rattus norvegicus" +"spiperone" 2470 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.8 "Ki" "Binding affinity towards human 5-hydroxytryptamine 6 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267930" "Tchem" "Homo sapiens" +"spiperone" 2470 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd2|Drd3|Drd4|Drd5" "DRD1_RAT|DRD2_RAT|DRD3_RAT|DRD4_RAT|DRD5_RAT" 8.7 "Ki" "Displacement of [3H]- spiperone radioligand binding at the dopamine binding site of rat caudate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267930" "Rattus norvegicus" +"spiperone" 2470 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 10.22 "Ki" "Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey" "CHEMBL" "=" 1 "KEGG DRUG" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267930" "http://www.kegg.jp/entry/D01051" "ANTAGONIST" "Tclin" "Homo sapiens" +"spiperone" 2470 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.49 "Ki" "Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267930" "Tclin" "Homo sapiens" +"spiperone" 2470 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 9.7 "Ki" "Displacement of [3H]Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells after 2 hrs" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267930" "Tchem" "Homo sapiens" +"spiperone" 2470 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.94 "Ki" "Evaluated for the binding affinity to porcine choroid plexus at 5-hydroxytryptamine 2C receptor binding site by using [3H]-MES as a radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267930" "Tclin" "Homo sapiens" +"spiperone" 2470 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.65 "Ki" "Displacement of [3H]Ketanserin from human 5HT2A receptor expressed in HEK293 cells" "CHEMBL" "=" 1 "KEGG DRUG" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267930" "http://www.kegg.jp/entry/D01051" "ANTAGONIST" "Tclin" "Homo sapiens" +"spiperone" 2470 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.1 "Ki" "Binding constant measured against Alpha-1A adrenergic receptor in human prostate; ++:moderately active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267930" "Tclin" "Homo sapiens" +"spiperone" 2470 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.92 "Ki" "Displacement of [3H]Spiperone from human recombinant dopamine D3 receptor expressed in CHO cells after 2 hrs" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267930" "Tclin" "Homo sapiens" +"spiperone" 2470 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 8.14 "Ki" "Overall binding displacement in tissues containing only the Alpha-1A adrenergic receptor from rat submaxillary gland" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267930" "Rattus norvegicus" +"spiperone" 2470 "Serotonin 1 (5-HT1) receptor" "GPCR" "P19327|P28564|P28565|P30940" "Htr1a|Htr1b|Htr1d|Htr1f" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT" 6.8 "Ki" "Evaluated for binding affinity towards rat cortical membranes at 5-hydroxytryptamine 1 receptor binding site by using [3H]-5-HT as a radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267930" "Rattus norvegicus" +"spiperone" 2470 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.02 "IC50" "The compound was tested for affinity towards sigma-3 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267930" "Tclin" "Homo sapiens" +"spiperone" 2470 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.32 "Ki" "Binding affinity (Ki) to rat cortical membranes at 5-HT1B binding site by using [125 I] ICYP as a radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267930" "Rattus norvegicus" +"spiperone" 2470 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 7.52 "Ki" "Binding affinity of compound against 5-hydroxytryptamine 1A receptor binding site using radioligand [3H]8-OH-DPAT" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267930" "Rattus norvegicus" +"spiperone" 2470 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 6.96 "Ki" "Binding affinity towards human 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267930" "Tclin" "Homo sapiens" +"spiperone" 2470 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.89 "Ki" "Overall binding displacement in tissues containing only the Alpha-1B adrenergic receptor (rat spleen, rat liver)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267930" "Rattus norvegicus" +"spiperone" 2470 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 10.82 "Ki" "Competitive binding assay against Dopamine receptor D2 in rat striatal membranes and [125I]-IBF radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267930" "Rattus norvegicus" +"spiperone" 2470 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 6 "Ki" "Tested for binding affinity against 5-hydroxytryptamine 1C receptor from rat frontal cortical regions using [3H]mesulergine as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267930" "Rattus norvegicus" +"spiperone" 2470 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 9 "Ki" "Displacement of [3H]ketanserin from rat 5HT2A receptor expressed in mouse NIH3T3 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267930" "Rattus norvegicus" +"spiperone" 2470 "Beta-casein" "Unclassified" "P02665" "Csn2" "CASB_RAT" 8.81 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267930" "Rattus norvegicus" +"spiperone" 2470 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 7.87 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267930" "Bos taurus" +"spiperone" 2470 "Alpha-1D adrenergic receptor" "GPCR" "P23944" "Adra1d" "ADA1D_RAT" 7.66 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267930" "Rattus norvegicus" +"spiperone" 2470 "5-hydroxytryptamine receptor 1B" "Unclassified" "P28334" "Htr1b" "5HT1B_MOUSE" 8.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=99" "ANTAGONIST" "Mus musculus" +"spiperone" 2470 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 5.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=99" "ANTAGONIST" "Rattus norvegicus" +"spirapril" 2474 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 9.1 "IC50" "Compound tested in vitro for inhibition of Angiotensin I converting enzyme" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL431" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL431" "INHIBITOR" "Tclin" "Homo sapiens" +"spirapril" 2474 "Angiotensin-converting enzyme" "Enzyme" "P47820" "Ace" "ACE_RAT" 7.17 "IC50" "Compound tested in vitro for inhibition of Angiotensin I converting enzyme" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL431" "Rattus norvegicus" +"spironolactone" 2475 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 9.8844 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1393" "ANTAGONIST" "Tclin" "Homo sapiens" +"spironolactone" 2475 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 5.522878745 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"spironolactone" 2475 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 6.663140179 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"spironolactone" 2475 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"spironolactone" 2475 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 6.0286 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"spironolactone" 2475 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 6.2272 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"spironolactone" 2475 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 7.4 "Ki" "Binding affinity to human androgen receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1393" "Tclin" "Homo sapiens" +"spironolactone" 2475 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 5.48 "EC50" "Agonist activity at estrogen receptor beta (unknown origin) by NH Pro assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1393" "Tclin" "Homo sapiens" +"spironolactone" 2475 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 4.73 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1393" "Tchem" "Homo sapiens" +"spironolactone" 2475 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 6.17 "IC50" "Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1393" "Rattus norvegicus" +"stanozolol" 2477 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.032732908 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"stanozolol" 2477 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.327440372 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"stanozolol" 2477 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 7.494850022 "Ki" "DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"stanozolol" 2477 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.947844933 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"stanozolol" 2477 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 7.318758763 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"stanozolol" 2477 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 7.823908741 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"stanozolol" 2477 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 6.316052869 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"stanozolol" 2477 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" "Mechanism of Action; CHEMBL1871; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2079587" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2079587" "AGONIST" "Tclin" "Homo sapiens" +"stavudine" 2478 "Gag-Pol polyprotein" "Polyprotein" "P03369" "gag-pol" "POL_HV1A2" "WOMBAT-PK" "Human immunodeficiency virus type 1 group M subtype B (isolate ARV2/SF2)" +"stavudine" 2478 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" 7.3 "EC50" "Effective concentration that reduces HIV-induced cytopathic effect by 50% was determined by reverse transcriptase (RT) assay." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL991" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL991" "INHIBITOR" "Human immunodeficiency virus 1" +"stavudine" 2478 "Reverse transcriptase" "Enzyme" "Q9WKE8" "reverse transcriptas" "Q9WKE8_9HIV1" 7.22 "IC50" "Inhibition of HIV1 reverse transcriptase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL991" "Human immunodeficiency virus 1" +"stiripentol" 2480 "Sodium- and chloride-dependent GABA transporter 1" "Transporter" "P30531" "SLC6A1" "SC6A1_HUMAN" 4.3 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"stiripentol" 2480 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"stiripentol" 2480 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"stiripentol" 2480 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"streptomycin" 2481 "30S ribosomal protein S12" "Ribosomal protein" "P9WH62" "rpsL" "RS12_MYCTO" "WOMBAT-PK" "Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)" +"strychnine" 2484 "Taste receptor type 2 member 46" "GPCR" "P59540" "TAS2R46" "T2R46_HUMAN" 6.36653137207031 "EC50" "calcium imaging in ransfected human embryonic kidney (HEK)-293T" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/20022913" "AGONIST" "Tbio" "Homo sapiens" +"strychnine" 2484 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=347" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"strychnine" 2484 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=347" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"strychnine" 2484 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=347" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"strychnine" 2484 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.7 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=347" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"strychnine" 2484 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 4.7 "IC50" "GRAC: human Glycine receptor subunit alpha-1 selective antagonist" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL227934" "Tclin" "Homo sapiens" +"strychnine" 2484 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.68 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL227934" "Tclin|Tclin|Tclin" "Homo sapiens" +"succimer" 2486 "lead" "Inorganic material" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2007/019998s013lbl.pdf" "CHELATING AGENT" +"succinic acid" 2487 "Egl nine homolog 1" "Enzyme" "Q9GZT9" "EGLN1" "EGLN1_HUMAN" 5.52 "IC50" "Inhibition of 2-oxoglutarate-dependent human recombinant HIF PHD2 preincubated for 1 hr" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL576" "Tclin" "Homo sapiens" +"succinic acid" 2487 "Succinate receptor 1" "GPCR" "Q9BXA5" "SUCNR1" "SUCR1_HUMAN" 4.7 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3637" "AGONIST" "Homo sapiens" +"suxamethonium" 2489 "Acetylcholinesterase" "Enzyme" "P21836" "Ache" "ACES_MOUSE" 4.68 "Ki" "Inhibition of mouse AChE" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL703" "Mus musculus" +"suxamethonium" 2489 "Muscle-type nicotinic acetylcholine receptor" "Ion channel" "P02708|P07510|P11230|Q04844|Q07001" "CHRNA1|CHRNB1|CHRND|CHRNE|CHRNG" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN|ACHE_HUMAN|ACHG_HUMAN" "Mechanism of Action; CHEMBL2362997; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL703" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL703" "AGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"sufentanil" 2491 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 7.30103015899658 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"sufentanil" 2491 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 8.13 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL658" "AGONIST" "Tclin" "Homo sapiens" +"sufentanil" 2491 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 6.7 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"sufentanil" 2491 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprk1|Oprm1|Sigmar1" "OPRD_RAT|OPRK_RAT|OPRM_RAT|SGMR1_RAT" 10.7 "Ki" "In vitro affinity to displace [3H]naloxone from opiate receptor in freshly prepared rat brain homogenates" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL658" "Rattus norvegicus" +"sufentanil" 2491 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 9.66 "Ki" "Ability to displace [3H]naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL658" "Rattus norvegicus" +"sulbactam" 2492 "Beta-lactamase GES-13" "Enzyme" "D1MIX9" "blaGES-13" "D1MIX9_PSEAI" 6.43 "IC50" "Inhibition of Pseudomonas aeruginosa GES-13 beta lactamase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL403" "Pseudomonas aeruginosa" +"sulbactam" 2492 "Beta-lactamase" "Enzyme" "Q7X575" "SHV-11" "Q7X575_ECOLX" 5.62 "IC50" "Inhibition of Escherichia coli JM109 beta-lactamase SHV-11" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL403" "Escherichia coli" +"sulbactam" 2492 "Beta-lactamase" "Enzyme" "P05364" "ampC" "AMPC_ENTCL" 6 "IC50" "Compound was evaluated for beta-lactamase inhibition activity of Escherichia cloacae after 15 min of pre-incubation with the enzyme at 37 degree C" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL403" "Enterobacter cloacae" +"sulbactam" 2492 "Beta-lactamase TEM" "Enzyme" "P62593" "bla; blaT-3; blaT-4;" "BLAT_ECOLX" 6.1 "Ki" "Inhibition constant (Ki) for TEM-1 beta-lactamase" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL403" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL403" "INHIBITOR" "Escherichia coli" +"sulbactam" 2492 "Beta-lactamase" "Enzyme" "P00807" "blaZ" "BLAC_STAAU" 5.19 "IC50" "Inhibitory activity against Penicillinase from Staphylococcus aureus TH-14 using piperacillin (40 uM) as a substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL403" "Staphylococcus aureus" +"sulbactam" 2492 "Beta-lactamase" "Enzyme" "Q0VTR6" "adc-14" "Q0VTR6_ACIPI" 5.95 "IC50" "Inhibition of Acinetobacter genomosp. 3 isolate 65 ADC-14" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL403" "Acinetobacter pittii" +"sulbactam" 2492 "Beta-lactamase" "Enzyme" "Q0VTR8" "adc-16" "Q0VTR8_ACIPI" 5.11 "IC50" "Inhibition of Acinetobacter genomosp. 3 isolate 103 ADC-16" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL403" "Acinetobacter pittii" +"sulbactam" 2492 "Carbapenem-hydrolizing beta-lactamase SFC-1" "Enzyme" "Q6JP75" "Q6JP75_SERFO" 4.64 "IC50" "Inhibition of Serratia fonticola UTAD54 SFC1 beta lactamase expressed in Escherichia coli BL21(DE3) by SDS-PAGE" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL403" "Serratia fonticola" +"sulbactam" 2492 "ADC-18 protein" "Unclassified" "Q0VTS0" "adc-18" "Q0VTS0_ACIPI" 4.93 "IC50" "Inhibition of Acinetobacter genomosp. 3 isolate 195 ADC-18" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL403" "Acinetobacter pittii" +"sulbactam" 2492 "Beta-lactamase" "Enzyme" "P00811" "ampC" "AMPC_ECOLI" 4.18 "IC50" "Inhibitory activity against AmpC (class C) beta-lactamase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL403" "Escherichia coli (strain K12)" +"sulbactam" 2492 "Beta-lactamase" "Enzyme" "P24735" "ampC" "AMPC_PSEAE" 4.57 "IC50" "Inhibition of Pseudomonas aeruginosa beta-lactamase AmpC assessed as nitrocefin hydrolysis after 5 mins enzyme-compound preincubation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL403" "Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)" +"sulbactam" 2492 "Beta-lactamase 1" "Unclassified" "P00809" "blaY" "BLAC_BACCE" 4.6 "IC50" "Inhibition of Beta-lactamase of Bacillus cereus (class A enzyme) without pre-incubation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL403" "Bacillus cereus" +"sulbactam" 2492 "Beta-lactamase" "Enzyme" "D5HSX5" "blaPER-6" "D5HSX5_9GAMM" 5.4 "IC50" "Inhibition of Aeromonas allosaccharophila AL-1 beta-lactamase PER6" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL403" "Aeromonas allosaccharophila" +"sulbactam" 2492 "Beta-lactamase" "Enzyme" "A8RR46" "bcl1" "A8RR46_BACCS" 7.12 "IC50" "Inhibition of Bacillus clausii NR beta-lactamase BCL1 expressed in Escherichia coli BL21 (DE3)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL403" "Bacillus clausii" +"sulbactam" 2492 "Beta-lactamase" "Enzyme" "A1E3K9" "blaSCO-1" "A1E3K9_ECOLX" 5.21 "IC50" "Inhibition of Escherichia coli beta-lactamase SCO1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL403" "Escherichia coli" +"sulbactam" 2492 "Beta-lactamase OXA-1" "Enzyme" "P13661" "bla" "BLO1_ECOLX" 4.66 "IC50" "Inhibitory activity against Beta-lactamase type OXA1 (penicillinase) from Escherichia coli OXA1 using ampicillin (40 uM) as a substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL403" "Escherichia coli" +"sulbactam" 2492 "Class D beta-lactamase" "Unclassified" "Q50H31" "oxa-63" "Q50H31_BRAPL" 4.92 "IC50" "Inhibition of Brachyspira pilosicoli beta-lactamase OXA-63 expressed in Escherichia coli BL21 (DE3) assessed as reduction in nitrocefin hydrolysis by spectrophotometry relative to oxacillin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL403" "Brachyspira pilosicoli" +"sulbactam" 2492 "Beta-lactamase TEM" "Enzyme" "P62594" "bla" "BLAT_SALTI" 6.1 "Ki" "WOMBAT-PK" "=" "Salmonella typhi" +"sulbactam" 2492 "Serine beta-lactamase-like protein LACTB, mitochondrial" "Enzyme" "P83111" "LACTB" "LACTB_HUMAN" 5.01 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"sulconazole" 2495 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.819300799 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sulconazole" 2495 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 7.15490196 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sulconazole" 2495 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.124938737 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sulconazole" 2495 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.696803943 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sulconazole" 2495 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.950007143 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sulconazole" 2495 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.716246617 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sulconazole" 2495 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.835944708 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sulconazole" 2495 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.786216701 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sulconazole" 2495 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.977159389 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sulconazole" 2495 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.053056729 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sulconazole" 2495 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.142064735 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sulconazole" 2495 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.258060922 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sulconazole" 2495 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.727462223 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sulconazole" 2495 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.144480844 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sulconazole" 2495 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.862962545 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sulconazole" 2495 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.096910013 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sulconazole" 2495 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.828273546 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"sulconazole" 2495 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 6.698970004 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"sulconazole" 2495 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 6.22184875 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"sulconazole" 2495 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 7.795880017 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"sulconazole" 2495 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.431329022 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sulconazole" 2495 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 6.73754891 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"sulconazole" 2495 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.781727146 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"sulconazole" 2495 "Beta-lactamase" "Enzyme" "P00811" "ampC" "AMPC_ECOLI" 4.85 "IC50" "Compound was tested for the inhibition of beta-lactamase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1221" "Escherichia coli (strain K12)" +"sulconazole" 2495 "Bile acid receptor" "Nuclear hormone receptor" "Q96RI1" "NR1H4" "NR1H4_HUMAN" 5.16 "IC50" "Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1221" "Tclin" "Homo sapiens" +"sulconazole" 2495 "Malate dehydrogenase cytoplasmic " "Enzyme" "P40925" "MDH1" "MDHC_HUMAN" 4.7 "IC50" "Inhibition of malate dehydrogenase (MDH)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1221" "Tbio" "Homo sapiens" +"sulconazole" 2495 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P28776" "Ido1" "I23O1_MOUSE" 4.53 "IC50" "Inhibition of mouse Ido1 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1221" "Mus musculus" +"sulconazole" 2495 "Indoleamine 2,3-dioxygenase 2" "Enzyme" "Q8R0V5" "Ido2" "I23O2_MOUSE" 5 "IC50" "Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1221" "Mus musculus" +"sulconazole" 2495 "Lanosterol 14-alpha demethylase" "Enzyme" "P10613" "ERG11" "CP51_CANAL" "Mechanism of Action; CHEMBL1780; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1221" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1221" "INHIBITOR" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"sulconazole" 2495 "Alkaline phosphatase, tissue-nonspecific isozyme" "Enzyme" "P05186" "ALPL" "PPBT_HUMAN" 4.21999979019165 "EC50" "PUBCHEM_BIOASSAY: uHTS identification of compounds activating TNAP in the absence of phosphate acceptor performed in luminescent assay. (Class of assay: confirmatory) [Related pubchem assays: 813, 518, 1548, 1450 ]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1221" "Tchem" "Homo sapiens" +"sulconazole" 2495 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P14902" "IDO1" "I23O1_HUMAN" 5.19000005722046 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1221" "Tchem" "Homo sapiens" +"sulfacetamide" 2497 "Dihydrofolate reductase" "Enzyme" "P00374" "DHFR" "DYR_HUMAN" 4.74 "IC50" "Inhibition of human DHFR after 2 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL455" "Tclin" "Homo sapiens" +"sulfacetamide" 2497 "Dihydrofolate reductase" "Unclassified" "P00376" "DHFR" "DYR_BOVIN" 4.66 "IC50" "Inhibition of bovine DHFR after 2 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL455" "Bos taurus" +"sulfacetamide" 2497 "Dihydropteroate synthase" "Enzyme" "P0AC13" "folP" "DHPS_ECOLI" "Mechanism of Action; CHEMBL2364668; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL455" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL455" "INHIBITOR" "Escherichia coli (strain K12)" +"sulfacytine" 2499 "7,8-dihydro-6-hydroxymethylpterin pyrophosphokinase-dihydropteroate synthase; Dihydropteroate synthetase" "Kinase" "Q25704" "PPPK-DHPS" "Q25704_PLAFA" "Mechanism of Action; CHEMBL2013; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201056" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201056" "INHIBITOR" "Plasmodium falciparum" +"sulfadiazine" 2500 "Dihydroorotate dehydrogenase (quinone), mitochondrial" "Enzyme" "Q08210" "PYRD_PLAF7" "WOMBAT-PK" "Plasmodium falciparum (isolate 3D7)" +"sulfadiazine" 2500 "Aurora kinase A" "Kinase" "O14965" "AURKA" "AURKA_HUMAN" 4.68 "IC50" "Inhibition of aurora kinase A" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL439" "Tchem" "Homo sapiens" +"sulfadiazine" 2500 "Dihydropteroate synthase" "Enzyme" "P0AC13" "folP" "DHPS_ECOLI" "Mechanism of Action; CHEMBL2364668; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL439" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL439" "INHIBITOR" "Escherichia coli (strain K12)" +"sulfadiazine" 2500 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.03 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"sulfadiazine" 2500 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 4.96 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"sulfadiazine" 2500 "High affinity choline transporter 1" "Transporter" "Q9GZV3" "SLC5A7" "SC5A7_HUMAN" 4.24 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"sulfadimethoxine" 2501 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.206209615 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"sulfadimidine" 2502 "Dihydropteroate synthase" "Enzyme" "P0AC13" "folP" "DHPS_ECOLI" "Mechanism of Action; CHEMBL2364668; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL446" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL446" "INHIBITOR" "Escherichia coli (strain K12)" +"sulfadimidine" 2502 "Lactoylglutathione lyase" "Enzyme" "Q04760" "GLO1" "LGUL_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"sulfadoxine" 2503 "7,8-dihydro-6-hydroxymethylpterin pyrophosphokinase-dihydropteroate synthase; Dihydropteroate synthetase" "Kinase" "Q25704" "PPPK-DHPS" "Q25704_PLAFA" "Mechanism of Action; CHEMBL2013; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1539" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1539" "INHIBITOR" "Plasmodium falciparum" +"sulfaguanidine" 2505 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 7.02 "Ki" "Inhibitory activity against human thrombin (using Chromozym TH as the substrate)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL338802" "Tclin" "Homo sapiens" +"sulfaguanidine" 2505 "Trypsin" "Enzyme" "P07477|P07478|P35030" "PRSS1|PRSS2|PRSS3" "TRY1_HUMAN|TRY2_HUMAN|TRY3_HUMAN" 5.87 "Ki" "Inhibitory activity against human trypsin (using Chromozym TH as the substrate)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL338802" "Tchem|Tchem|Tclin" "Homo sapiens" +"sulfamerazine" 2510 "Dihydropteroate synthase" "Enzyme" "P0AC13" "folP" "DHPS_ECOLI" "Mechanism of Action; CHEMBL2364668; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL438" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL438" "INHIBITOR" "Escherichia coli (strain K12)" +"sulfameter" 2511 "Dihydropteroate synthase" "Enzyme" "P0AC13" "folP" "DHPS_ECOLI" "Mechanism of Action; CHEMBL2364668; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200359" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200359" "INHIBITOR" "Escherichia coli (strain K12)" +"sulfamethizole" 2512 "Dihydropteroate synthase" "Enzyme" "P0AC13" "folP" "DHPS_ECOLI" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1191" "INHIBITOR" "Escherichia coli (strain K12)" +"sulfamethoxazole" 2514 "Bifunctional protein FolC" "Enzyme" "P08192" "folC" "FOLC_ECOLI" "WOMBAT-PK" "Escherichia coli (strain K12)" +"sulfamethoxazole" 2514 "Dihydrofolate reductase" "Enzyme" "P16184" "DYR_PNECA" 7 "IC50" "Inhibitory activity against dihydrofolate reductase in Pneumocystis carinii in the prence of 100 micro M PABA." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL443" "Pneumocystis carinii" +"sulfamethoxazole" 2514 "Endothelin-1 receptor" "GPCR" "P26684" "Ednra" "EDNRA_RAT" 5.4 "IC50" "Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL443" "Rattus norvegicus" +"sulfamethoxazole" 2514 "Pol polyprotein" "Enzyme" "Q72874" "pol" "Q72874_9HIV1" 8 "Ki" "Inhibition constant for human immunodeficiency virus type 1 protease" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL443" "Human immunodeficiency virus 1" +"sulfamethoxazole" 2514 "Dihydropteroate synthase" "Enzyme" "P0AC13" "folP" "DHPS_ECOLI" 5.33 "IC50" "In vitro inhibition of dihydropteroate synthase from Escherichia coli." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL443" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL443" "INHIBITOR" "Escherichia coli (strain K12)" +"sulfalene" 2517 "Dihydropteroate synthase" "Enzyme" "P0AC13" "folP" "DHPS_ECOLI" "Mechanism of Action; CHEMBL2364668; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1525826" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1525826" "INHIBITOR" "Escherichia coli (strain K12)" +"sulfanilamide" 2521 "Carbonic anhydrase" "Unclassified" "C0IX24" "CA2" "C0IX24_9CNID" 6.52 "Ki" "Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "Stylophora pistillata" +"sulfanilamide" 2521 "Delta carbonic anhydrase" "Unclassified" "Q5U9J1" "ca1" "Q5U9J1_THAWE" 6.74 "Ki" "Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "Thalassiosira weissflogii" +"sulfanilamide" 2521 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 4.49 "Ki" "Inhibitory activity against human recombinant mitochondrial isozyme CA VA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "Tclin" "Homo sapiens" +"sulfanilamide" 2521 "Carbonic anhydrase 2" "Unclassified" "Q3I4V7" "CAN2" "Q3I4V7_CRYNV" 6.11 "Ki" "Inhibition of Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "Cryptococcus neoformans var. grubii" +"sulfanilamide" 2521 "Carbonic anhydrase" "Enzyme" "P53615" "NCE103" "CAN_YEAST" 4.73 "Ki" "Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"sulfanilamide" 2521 "Carbonic anhydrase 2" "Enzyme" "P00921" "CA2" "CAH2_BOVIN" 6.07 "Ki" "Binding affinity to bovine carbonic anhydrase 2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "Bos taurus" +"sulfanilamide" 2521 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 6.62 "Ki" "Ki value against human carbonic anhydrase II" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "Tclin" "Homo sapiens" +"sulfanilamide" 2521 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 5.27 "Ki" "Inhibitory constant against human carbonic anhydrase XIV in CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "Tclin" "Homo sapiens" +"sulfanilamide" 2521 "Carbonic anhydrase" "Enzyme" "Q50565" "Q50565_METTH" 4.24 "Ki" "Inhibitory activity against beta carbonic anhydrase (Cab) from Methanobacterium thermoautotrophicum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "Methanothermobacter thermautotrophicus (strain ATCC 29096 / DSM 1053 / JCM 10044 / NBRC 100330 / Delta H)" +"sulfanilamide" 2521 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 7.15 "Ki" "Ki value against human carbonic anhydrase VII" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "Tclin" "Homo sapiens" +"sulfanilamide" 2521 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 7.49 "Ki" "Inhibitory activity against murine carbonic anhydrase XIII (mCA XIII) by using CO2 hydrase assay method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "Mus musculus" +"sulfanilamide" 2521 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 7.43 "Ki" "Inhibitory constant against catalytic domain of human carbonic anhydrase XII" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "Tclin" "Homo sapiens" +"sulfanilamide" 2521 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 6.62 "Ki" "Inhibition of catalytic domain of human recombinant CA IX" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "Tclin" "Homo sapiens" +"sulfanilamide" 2521 "Carbonic anhydrase" "Enzyme" "O24855" "cynT" "CYNT_HELPY" 6.37 "Ki" "Inhibition of Helicobacter pylori recombinant CA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "Helicobacter pylori (strain ATCC 700392 / 26695)" +"sulfanilamide" 2521 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 5.02 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "Mus musculus" +"sulfanilamide" 2521 "Alpha carbonic anhydrase" "Unclassified" "B5SU02" "CA" "B5SU02_9CNID" 6.44 "Ki" "Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "Stylophora pistillata" +"sulfanilamide" 2521 "Probable transmembrane carbonic anhydrase (Carbonate dehydratase) (Carbonic dehydratase); Transmembrane carbonic anhydrase" "Enzyme" "P96878" "P96878_MYCTU" 5.2 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv3273 preincubated for 15 mins by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"sulfanilamide" 2521 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.52 "Ki" "Inhibition of cloned isozyme, human carbonic anhydrase IV" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "Tclin" "Homo sapiens" +"sulfanilamide" 2521 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 6.52 "Ki" "Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "Tclin" "Homo sapiens" +"sulfanilamide" 2521 "Astrosclerin-3" "Unclassified" "A6YCJ1" "A6YCJ1_9METZ" 5.11 "Ki" "Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "Astrosclera willeyana" +"sulfanilamide" 2521 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 5.44 "Ki" "Inhibitory activity against human recombinant mitochondrial isozyme CA VB" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "Tclin" "Homo sapiens" +"sulfanilamide" 2521 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 6.01 "Ki" "Inhibition of human recombinant CA3 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "Tclin" "Homo sapiens" +"sulfanilamide" 2521 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 6.62 "Ki" "Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"sulfanilamide" 2521 "Carbonic anhydrase" "Enzyme" "P40881" "CAH_METTE" 6.6 "Ki" "Inhibitory activity against alpha carbonic anhydrase (Zn-Cam) from Methanosarcina thermophila" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "Methanosarcina thermophila" +"sulfanilamide" 2521 "Beta-carbonic anhydrase 1" "Enzyme" "P9WPJ7" "mtcA1" "MTCA1_MYCTU" 5.03 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv1284 preincubated for 15 mins by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"sulfanilamide" 2521 "Carbonic anhydrase 2" "Enzyme" "P9WPJ9" "mtcA2" "MTCA2_MYCTU" 4.53 "Ki" "Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"sulfanilamide" 2521 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 7.49 "Ki" "Inhibition of human recombinant CA13 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "Tclin" "Homo sapiens" +"sulfanilamide" 2521 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 6.03 "Ki" "Inhibition of full length human recombinant CA VI" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "Tclin" "Homo sapiens" +"sulfanilamide" 2521 "Carbonic anhydrase 4" "Enzyme" "Q95323" "CA4" "CAH4_BOVIN" 5.52 "Ki" "Inhibition constant against bovine Carbonic anhydrase IV, isolated from lung microsomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "Bos taurus" +"sulfanilamide" 2521 "Dihydropteroate synthase" "Enzyme" "P0AC13" "folP" "DHPS_ECOLI" "Mechanism of Action; CHEMBL2364668; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "INHIBITOR" "Escherichia coli (strain K12)" +"sulfanilamide" 2521 "Carbonic anhydrase" "Unclassified" "Q5TU56" "Q5TU56_ANOGA" 6.06 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "Anopheles gambiae" +"sulfanilamide" 2521 "Carbonic anhydrase" "Enzyme" "Q6FTL6" "Q6FTL6_CANGA" 5.1 "Ki" "Inhibition of recombinant full length Candida glabrata NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "Candida glabrata (strain ATCC 2001 / CBS 138 / JCM 3761 / NBRC 0622 / NRRL Y-65)" +"sulfaphenazole" 2523 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 6.698970004 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"sulfaphenazole" 2523 "Dihydropteroate synthase" "Enzyme" "P0AC13" "folP" "DHPS_ECOLI" "Mechanism of Action; CHEMBL2364668; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1109" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1109" "INHIBITOR" "Escherichia coli (strain K12)" +"sulfapyridine" 2524 "Dihydropteroate synthase type-1" "Enzyme" "Q49184" "sulI" "DHP1_MYCFO" "WOMBAT-PK" "Mycobacterium fortuitum" +"sulfapyridine" 2524 "Dihydropteroate synthase" "Enzyme" "P0AC13" "folP" "DHPS_ECOLI" "Mechanism of Action; CHEMBL2364668; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL700" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL700" "INHIBITOR" "Escherichia coli (strain K12)" +"sulfasalazine" 2525 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL421" "INHIBITOR" "Tclin" "Homo sapiens" +"sulfasalazine" 2525 "Caspase-1" "Enzyme" "P29466" "CASP1" "CASP1_HUMAN" 4.540426594 "IC50" "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"sulfasalazine" 2525 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 4.70688063 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"sulfasalazine" 2525 "Interstitial collagenase" "Enzyme" "P03956" "MMP1" "MMP1_HUMAN" 4.62802753 "IC50" "DRUGMATRIX: Peptidase, Matrix Metalloproteinase-1 (MMP-1) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sulfasalazine" 2525 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 4.533117558 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"sulfasalazine" 2525 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 4.768479439 "IC50" "DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde)" "DRUG MATRIX" "=" "Rattus norvegicus" +"sulfasalazine" 2525 "Mitogen-activated protein kinase 1" "Kinase" "P28482" "MAPK1" "MK01_HUMAN" 5.198459094 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"sulfasalazine" 2525 "Acetyl-CoA acetyltransferase, mitochondrial" "Enzyme" "P24752" "ACAT1" "THIL_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"sulfasalazine" 2525 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.06 "Ki" "Inhibition of human carbonic anhydrase 2 esterase activity by non-competitive Lineweaver-Burke plot" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL421" "Tclin" "Homo sapiens" +"sulfasalazine" 2525 "Cystine/glutamate transporter" "Transporter" "Q9UPY5" "SLC7A11" "XCT_HUMAN" 4.52 "IC50" "Inhibition of xc-cystine-glutamate antiporter-mediated cystine uptake in human U87 cells using L-[14C]cystine as substrate after 15 mins by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL421" "Tbio" "Homo sapiens" +"sulfasalazine" 2525 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5.16 "Ki" "Inhibition of human carbonic anhydrase 1 esterase activity by noncompetitive Lineweaver-Burke plot" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL421" "Tclin" "Homo sapiens" +"sulfasalazine" 2525 "Cyclooxygenase" "Enzyme" "P23219|P35354" "PTGS1|PTGS2" "PGH1_HUMAN|PGH2_HUMAN" "Mechanism of Action; CHEMBL2094253; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL421" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL421" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"sulfasalazine" 2525 "Proton-coupled folate transporter" "Transporter" "Q96NT5" "SLC46A1" "PCFT_HUMAN" 4.2 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4840" "INHIBITOR" "Tchem" "Homo sapiens" +"sulfathiazole" 2527 "Endothelin-1 receptor" "GPCR" "P26684" "Ednra" "EDNRA_RAT" 4.16 "IC50" "Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL437" "Rattus norvegicus" +"sulfathiazole" 2527 "Dihydropteroate synthase" "Enzyme" "P0AC13" "folP" "DHPS_ECOLI" 5.6 "IC50" "In vitro inhibition of dihydropteroate synthase from Escherichia coli." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL437" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL437" "INHIBITOR" "Escherichia coli (strain K12)" +"sulfathiazole" 2527 "Endothelin-1 receptor" "GPCR" "P25101" "EDNRA" "EDNRA_HUMAN" 4.1612 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"sulfinpyrazone" 2528 "fMet-Leu-Phe receptor" "GPCR" "P21462" "FPR1" "FPR1_HUMAN" 4.7 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"sulfinpyrazone" 2528 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"sulfinpyrazone" 2528 "Solute carrier family 22 member 12" "Transporter" "Q96S37" "SLC22A12" "S22AC_HUMAN" 4 "IC50" "Inhibition of human URAT1-mediated urate uptake in HEK293 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL832" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL832" "INHIBITOR" "Tclin" "Homo sapiens" +"sulfafurazole" 2529 "Dihydroorotate dehydrogenase (quinone), mitochondrial" "Enzyme" "Q08210" "PYRD_PLAF7" "WOMBAT-PK" "Plasmodium falciparum (isolate 3D7)" +"sulfafurazole" 2529 "Dihydropteroate synthase" "Enzyme" "P0AC13" "folP" "DHPS_ECOLI" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00263" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL453" "INHIBITOR" "Escherichia coli (strain K12)" +"sulfafurazole" 2529 "Endothelin-1 receptor" "GPCR" "P26684" "Ednra" "EDNRA_RAT" 6.11 "IC50" "Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL453" "Rattus norvegicus" +"sulfafurazole" 2529 "Endothelin-1 receptor" "GPCR" "P25101" "EDNRA" "EDNRA_HUMAN" 6.11 "IC50" "Inhibitory concentration against Endothelin A receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL453" "Tclin" "Homo sapiens" +"sulfafurazole" 2529 "Endothelin B receptor" "GPCR" "P24530" "EDNRB" "EDNRB_HUMAN" 4.62 "IC50" "Binding affinity against human Endothelin B receptor in transfected COS 7 cell membrane preparation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL453" "Tclin" "Homo sapiens" +"sulfafurazole" 2529 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 5.55 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"sulfobromophthalein" 2531 "Hematopoietic prostaglandin D synthase" "Enzyme" "O60760" "HPGDS" "HPGDS_HUMAN" 4.57 "IC50" "Inhibition of human H-PGDS expressed in Escherichia coli BL21 assessed as rate of glutathione-chloro-dinitro benzene conjugation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL453904" "Tchem" "Homo sapiens" +"sulforidazine" 2532 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.1549015045166 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"sulforidazine" 2532 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.61092472076416 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"aldesulfone" 2533 "Glucose-6-phosphate 1-dehydrogenase" "Enzyme" "P11413" "G6PD" "G6PD_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"aldesulfone" 2533 "Dihydropteroate synthase 1" "Enzyme" "P0C0X1" "folP1" "DHPS1_MYCLE" "Mechanism of Action; CHEMBL2362993; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1570" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1570" "INHIBITOR" "Mycobacterium leprae (strain TN)" +"sulindac" 2534 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 6.361510743 "IC50" "DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde)" "DRUG MATRIX" "=" "Rattus norvegicus" +"sulindac" 2534 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 4.25 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15770" "INHIBITOR" "Tclin" "Homo sapiens" +"sulindac" 2534 "72 kDa type IV collagenase" "Enzyme" "P08253" "MMP2" "MMP2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"sulindac" 2534 "Retinoic acid receptor RXR-alpha" "Nuclear hormone receptor" "P19793" "RXRA" "RXRA_HUMAN" 4.08 "IC50" "Displacement of [3H]-9-cis-RA from RXRalpha (unknown origin) by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15770" "Tclin" "Homo sapiens" +"sulindac" 2534 "Prostaglandin E synthase" "Enzyme" "O14684" "PTGES" "PTGES_HUMAN" 4.1 "IC50" "Inhibition of microsomal PGES" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15770" "Tchem" "Homo sapiens" +"sulindac" 2534 "Lactoylglutathione lyase" "Enzyme" "Q04760" "GLO1" "LGUL_HUMAN" 4.11 "Ki" "Inhibition of glyoxalase 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15770" "Tchem" "Homo sapiens" +"sulindac" 2534 "Aldose reductase" "Enzyme" "P15121" "AKR1B1" "ALDR_HUMAN" 6.43 "IC50" "Inhibition of Homo sapiens (human) aldose reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15770" "Tclin" "Homo sapiens" +"sulindac" 2534 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 6.42000007629395 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15770" "Tclin" "Homo sapiens" +"sulindac" 2534 "Bile salt export pump" "Unclassified" "O70127" "Abcb11" "ABCBB_RAT" 4.06 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15770" "Rattus norvegicus" +"suloctidil" 2536 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.119929916 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"suloctidil" 2536 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.307153081 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"suloctidil" 2536 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.176656209 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"suloctidil" 2536 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.857360292 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"suloctidil" 2536 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.507798549 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"suloctidil" 2536 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.22366209 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"suloctidil" 2536 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.145997767 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"suloctidil" 2536 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.6062669 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"suloctidil" 2536 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 7.053056729 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"suloctidil" 2536 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.964570262 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"suloctidil" 2536 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.008773924 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"suloctidil" 2536 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.196474604 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"suloctidil" 2536 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.491672325 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"suloctidil" 2536 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.426293127 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"suloctidil" 2536 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.300422409 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"suloctidil" 2536 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.689965531 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"suloctidil" 2536 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.678898901 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"suloctidil" 2536 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 6.099960765 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"suloctidil" 2536 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 6.141402655 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"suloctidil" 2536 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.645066033 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"suloctidil" 2536 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.26 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL404849" "Rattus norvegicus" +"sulpiride" 2537 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.12090412 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sulpiride" 2537 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 7.3979 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"sulpiride" 2537 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 8.41 "Ki" "Ki value against human carbonic anhydrase XII (hCA XII)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL26" "Tclin" "Homo sapiens" +"sulpiride" 2537 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd2|Drd3|Drd4|Drd5" "DRD1_RAT|DRD2_RAT|DRD3_RAT|DRD4_RAT|DRD5_RAT" 5.8 "Ki" "In vitro ability to displace [3H]spiroperidol from rat dopamine receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL26" "Rattus norvegicus" +"sulpiride" 2537 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.12 "Ki" "Antagonist activity at dopamine D2 receptor (unknown origin)" "CHEMBL" "=" 1 "IUPHAR" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL26" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=5501" "ANTAGONIST" "Tclin" "Homo sapiens" +"sulpiride" 2537 "Alpha carbonic anhydrase" "Unclassified" "B5SU02" "CA" "B5SU02_9CNID" 6.37 "Ki" "Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL26" "Stylophora pistillata" +"sulpiride" 2537 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.68 "Ki" "Binding affinity for Dopamine receptor D4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL26" "Tchem" "Homo sapiens" +"sulpiride" 2537 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.1 "Ki" "Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL26" "Tclin" "Homo sapiens" +"sulpiride" 2537 "Astrosclerin-3" "Unclassified" "A6YCJ1" "A6YCJ1_9METZ" 6.42 "Ki" "Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL26" "Astrosclera willeyana" +"sulpiride" 2537 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 4.97 "Ki" "Inhibition of human recombinant CA 3 assessed as CO2 hydration by stopped flow kinetic assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL26" "Tclin" "Homo sapiens" +"sulpiride" 2537 "Beta-carbonic anhydrase 1" "Enzyme" "P9WPJ7" "mtcA1" "MTCA1_MYCTU" 5.64 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase 1 encoded by Rv1284 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL26" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"sulpiride" 2537 "Carbonic anhydrase" "Unclassified" "C0IX24" "CA2" "C0IX24_9CNID" 6.38 "Ki" "Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL26" "Stylophora pistillata" +"sulpiride" 2537 "Delta carbonic anhydrase" "Unclassified" "Q5U9J1" "ca1" "Q5U9J1_THAWE" 6.59 "Ki" "Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL26" "Thalassiosira weissflogii" +"sulpiride" 2537 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 6.76 "Ki" "Inhibitory activity against human recombinant mitochondrial isozyme CA VA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL26" "Tclin" "Homo sapiens" +"sulpiride" 2537 "Carbonic anhydrase" "Enzyme" "P53615" "NCE103" "CAN_YEAST" 6.91 "Ki" "Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL26" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"sulpiride" 2537 "D(2) dopamine receptor" "GPCR" "Q9GJU1" "DRD2" "DRD2_CANFA" 6.7 "IC50" "The IC50 value was reported as apparent, since [3H]NCA was purported to be irreversible (dopamine receptor from Canine striatal membranes). Result indicates the mean of two separate experiments, each performed in triplicate." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL26" "Canis familiaris" +"sulpiride" 2537 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 8.44 "Ki" "Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL26" "Tclin" "Homo sapiens" +"sulpiride" 2537 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 8.82 "Kd" "Affinity constant of compound was evaluated in rat striatum tissue preparation." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL26" "Rattus norvegicus" +"sulpiride" 2537 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 7.51 "Ki" "Inhibition of human recombinant carbonic anhydrase 9 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL26" "Tclin" "Homo sapiens" +"sulpiride" 2537 "Carbonic anhydrase" "Enzyme" "O24855" "cynT" "CYNT_HELPY" 6.75 "Ki" "Inhibition of Helicobacter pylori recombinant CA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL26" "Helicobacter pylori (strain ATCC 700392 / 26695)" +"sulpiride" 2537 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 7.14 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL26" "Mus musculus" +"sulpiride" 2537 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5.92 "Ki" "Ki value against human carbonic anhydrase I (hCA I)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL26" "Tclin" "Homo sapiens" +"sulpiride" 2537 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 7.74 "Ki" "Inhibitory activity against human recombinant mitochondrial isozyme CA VB" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL26" "Tclin" "Homo sapiens" +"sulpiride" 2537 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 7.4 "Ki" "Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL26" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"sulpiride" 2537 "Carbonic anhydrase 2" "Enzyme" "P9WPJ9" "mtcA2" "MTCA2_MYCTU" 6.58 "Ki" "Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL26" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"sulpiride" 2537 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 9.1 "Ki" "Inhibition of full length human recombinant CA VI" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL26" "Tclin" "Homo sapiens" +"sulpiride" 2537 "Carbonic anhydrase" "Unclassified" "Q5TU56" "Q5TU56_ANOGA" 7.53 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL26" "Anopheles gambiae" +"sulpiride" 2537 "Carbonic anhydrase" "Enzyme" "Q6FTL6" "Q6FTL6_CANGA" 6.95 "Ki" "Inhibition of recombinant full length Candida glabrata NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL26" "Candida glabrata (strain ATCC 2001 / CBS 138 / JCM 3761 / NBRC 0622 / NRRL Y-65)" +"sulprostone" 2538 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P34995" "PTGER1" "PE2R1_HUMAN" 7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1919" "AGONIST" "Tclin" "Homo sapiens" +"sulprostone" 2538 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P43115" "PTGER3" "PE2R3_HUMAN" 9.46 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1919" "AGONIST" "Tclin" "Homo sapiens" +"sulprostone" 2538 "Prostaglandin F2-alpha receptor" "GPCR" "P43088" "PTGFR" "PF2R_HUMAN" 6.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1919" "AGONIST" "Tclin" "Homo sapiens" +"sulprostone" 2538 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P35408" "PTGER4" "PE2R4_HUMAN" 5.111259039 "Ki" "PDSP" "Tclin" "Homo sapiens" +"sulprostone" 2538 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P30557" "Ptger3" "PE2R3_MOUSE" 9.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1919" "AGONIST" "Mus musculus" +"sulprostone" 2538 "Prostaglandin E2 receptor EP3 subtype" "Unclassified" "P34980" "Ptger3" "PE2R3_RAT" 9.38 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1919" "AGONIST" "Rattus norvegicus" +"sulprostone" 2538 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P35375" "Ptger1" "PE2R1_MOUSE" 7.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1919" "AGONIST" "Mus musculus" +"sulprostone" 2538 "Prostaglandin E2 receptor EP1 subtype" "Unclassified" "P70597" "Ptger1" "PE2R1_RAT" 7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1919" "AGONIST" "Rattus norvegicus" +"sultiame" 2540 "Carbonic anhydrase" "Unclassified" "C0IX24" "CA2" "C0IX24_9CNID" 6.91 "Ki" "Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL328560" "Stylophora pistillata" +"sultiame" 2540 "Delta carbonic anhydrase" "Unclassified" "Q5U9J1" "ca1" "Q5U9J1_THAWE" 6.77 "Ki" "Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL328560" "Thalassiosira weissflogii" +"sultiame" 2540 "Carbonic anhydrase" "Enzyme" "P53615" "NCE103" "CAN_YEAST" 5.99 "Ki" "Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL328560" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"sultiame" 2540 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 8.05 "Ki" "Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL328560" "Tclin" "Homo sapiens" +"sultiame" 2540 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 7.37 "Ki" "Inhibition of human recombinant carbonic anhydrase 9 catalytic domain by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL328560" "Tclin" "Homo sapiens" +"sultiame" 2540 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 7.19 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL328560" "Mus musculus" +"sultiame" 2540 "Alpha carbonic anhydrase" "Unclassified" "B5SU02" "CA" "B5SU02_9CNID" 7.34 "Ki" "Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL328560" "Stylophora pistillata" +"sultiame" 2540 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 6.43 "Ki" "Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL328560" "Tclin" "Homo sapiens" +"sultiame" 2540 "Astrosclerin-3" "Unclassified" "A6YCJ1" "A6YCJ1_9METZ" 6.56 "Ki" "Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL328560" "Astrosclera willeyana" +"sultiame" 2540 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 8.05 "Ki" "Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL328560" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"sultiame" 2540 "Beta-carbonic anhydrase 1" "Enzyme" "P9WPJ7" "mtcA1" "MTCA1_MYCTU" 5.29 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase 1 encoded by Rv1284 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL328560" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"sultiame" 2540 "Carbonic anhydrase 2" "Enzyme" "P9WPJ9" "mtcA2" "MTCA2_MYCTU" 6.18 "Ki" "Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL328560" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"sultiame" 2540 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 6.87 "Ki" "Inhibition of human full length recombinant carbonic anhydrase 6 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL328560" "Tclin" "Homo sapiens" +"sultiame" 2540 "Carbonic anhydrase" "Unclassified" "Q5TU56" "Q5TU56_ANOGA" 6.58 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL328560" "Anopheles gambiae" +"sultopride" 2541 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.42021656036377 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"sultopride" 2541 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.57133388519287 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"sumatriptan" 2543 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 6.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=54" "ANTAGONIST" "Rattus norvegicus" +"sumatriptan" 2543 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=54" "ANTAGONIST" "Tclin" "Homo sapiens" +"sumatriptan" 2543 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=54" "ANTAGONIST" "Tchem" "Homo sapiens" +"sumatriptan" 2543 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 7.59 "Ki" "Binding affinity towards human 5-hydroxytryptamine 1F receptor was determined" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL128" "Tclin" "Homo sapiens" +"sumatriptan" 2543 "5-hydroxytryptamine receptor 1B" "GPCR" "Q9N2B7" "HTR1B" "5HT1B_GORGO" 8.19 "Ki" "The compound was tested for CNS binding affinity towards 5-hydroxytryptamine 1B receptor from cloned gorilla membranes expressed in cultured HEK 293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL128" "Gorilla gorilla gorilla" +"sumatriptan" 2543 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 6.3 "IC50" "Displacement of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor from pig cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL128" "Tchem" "Homo sapiens" +"sumatriptan" 2543 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 7.64 "Ki" "Binding affinity was measured on 5-hydroxytryptamine 1B receptor in rat striatum labeled with [3H]5-HT" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL128" "Rattus norvegicus" +"sumatriptan" 2543 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.19 "IC50" "Binding affinity was measured against serotonin 5-hydroxytryptamine 1A receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL128" "Rattus norvegicus" +"sumatriptan" 2543 "5-hydroxytryptamine receptor 1D" "GPCR" "P28565" "Htr1d" "5HT1D_RAT" 7.21 "IC50" "Binding affinity was measured against serotonin 5-hydroxytryptamine 1D receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL128" "Rattus norvegicus" +"sumatriptan" 2543 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 8.03 "IC50" "Compound was evaluated for the affinity at 5-hydroxytryptamine 3 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL128" "Tclin" "Homo sapiens" +"sumatriptan" 2543 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.17 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL128" "Tchem" "Homo sapiens" +"sumatriptan" 2543 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.14 "IC50" "Compound was evaluated for the affinity at 5-hydroxytryptamine 2C receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL128" "Tclin" "Homo sapiens" +"sumatriptan" 2543 "5-hydroxytryptamine receptor 1A" "GPCR" "Q64264" "Htr1a" "5HT1A_MOUSE" 6.35 "IC50" "Compound was evaluated for the affinity at 5-hydroxytryptamine 1A receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL128" "Mus musculus" +"sumatriptan" 2543 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 8.26 "Ki" "Binding affinity was measured on 5-hydroxytryptamine 1D receptor beta in CHO cells transfected with human 5-HT1D beta gene labeled with [3H]5-HT" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL128" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL128" "AGONIST" "Tclin" "Homo sapiens" +"sumatriptan" 2543 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.42 "Ki" "The compound was tested for CNS binding affinity towards 5-hydroxytryptamine 2A receptor from cloned Human membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL128" "Tclin" "Homo sapiens" +"sumatriptan" 2543 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 8.92 "Ki" "Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL128" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL128" "AGONIST" "Tclin" "Homo sapiens" +"sumatriptan" 2543 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.64 "Ki" "In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1A receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL128" "Tclin" "Homo sapiens" +"sumatriptan" 2543 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 5.26 "IC50" "Compound was evaluated for the affinity at 5-hydroxytryptamine 1E receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL128" "Tchem" "Homo sapiens" +"sumatriptan" 2543 "5-hydroxytryptamine receptor 1D" "GPCR" "P79400" "HTR1D" "5HT1D_PIG" 7.7 "IC50" "Binding activity radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL128" "Sus scrofa" +"sumatriptan" 2543 "5-hydroxytryptamine 1D receptor" "Unclassified" "Q8MI13" "5htr1d" "Q8MI13_BOVIN" 7.23 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL128" "Bos taurus" +"sumatriptan" 2543 "5-hydroxytryptamine receptor 5A" "Unclassified" "P30966" "Htr5a" "5HT5A_MOUSE" 4.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=54" "AGONIST" "Mus musculus" +"sumatriptan" 2543 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 5.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=54" "ANTAGONIST" "Rattus norvegicus" +"sunitinib" 2544 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 8.8 "IC50" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=5713" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021938s027lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Mitogen-activated protein kinase 10" "Kinase" "P53779" "MAPK10" "MK10_HUMAN" 5.37 "Kd" "Binding constant for JNK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Dual specificity mitogen-activated protein kinase kinase 1" "Kinase" "Q02750" "MAP2K1" "MP2K1_HUMAN" 6.89 "Kd" "Binding constant for full-length MEK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Cyclin-dependent kinase-like 2" "Kinase" "Q92772" "CDKL2" "CDKL2_HUMAN" 5.96 "Kd" "Binding affinity to CDKL2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 9.66 "Kd" "Binding constant for FLT3(K663Q) kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "INHIBITOR" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 7.26 "Kd" "Binding constant for ABL1(T315I)-phosphorylated kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 6.07 "Kd" "Binding constant for EGFR(L858R,T790M) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Protein kinase C theta type" "Kinase" "Q04759" "PRKCQ" "KPCT_HUMAN" 5.37 "Kd" "Binding constant for PRKCQ kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase DCLK1" "Kinase" "O15075" "DCLK1" "DCLK1_HUMAN" 6.43 "Kd" "Binding constant for DCAMKL1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Muscle, skeletal receptor tyrosine-protein kinase" "Kinase" "O15146" "MUSK" "MUSK_HUMAN" 6.31 "Kd" "Binding constant for MUSK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform" "Kinase" "P48736" "PIK3CG" "PK3CG_HUMAN" 4.89 "IC50" "Inhibition of recombinant PI3Kgamma by radioactive phosphotransfer assay in presence of 10 uM ATP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Mitogen-activated protein kinase 9" "Kinase" "P45984" "MAPK9" "MK09_HUMAN" 5.62 "Kd" "Binding constant for JNK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 9.7 "Kd" "Inhibition of KDR by cellular assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "INHIBITOR" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 5.68 "Kd" "Binding constant for SRC kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P00523" "SRC" "SRC_CHICK" 6.26 "IC50" "Inhibition of chicken wild-type cSRC (251 to 533)-mediated phosphorylation of biotinylated poly-Glu-Tyr expressed in Escherichia coli BL21(DE3) preincubated for 30 to 60 mins prior to substrate addition by TR-FRET assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Gallus gallus" +"sunitinib" 2544 "Fibroblast growth factor receptor 3" "Kinase" "P22607" "FGFR3" "FGFR3_HUMAN" 6.54 "Kd" "Binding constant for FGFR3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Calcium/calmodulin-dependent protein kinase type 1" "Kinase" "Q14012" "CAMK1" "KCC1A_HUMAN" 6.01 "Kd" "Binding constant for full-length CAMK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase 35" "Kinase" "Q8TDR2" "STK35" "STK35_HUMAN" 5.89 "Kd" "Binding affinity to STK35" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" 6.74 "Kd" "Average Binding Constant for INSR; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "AGONIST" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Calcium/calmodulin-dependent protein kinase type IV" "Kinase" "Q16566" "CAMK4" "KCC4_HUMAN" 6.05 "Kd" "Binding constant for CAMK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase BRSK1" "Kinase" "Q8TDC3" "BRSK1" "BRSK1_HUMAN" 5.46 "Kd" "Binding constant for BRSK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Fibroblast growth factor receptor 4" "Kinase" "P22455" "FGFR4" "FGFR4_HUMAN" 5.68 "Kd" "Binding constant for FGFR4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "SRSF protein kinase 1" "Kinase" "Q96SB4" "SRPK1" "SRPK1_HUMAN" 6.6 "Kd" "Binding constant for full-length SRPK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Dual specificity tyrosine-phosphorylation-regulated kinase 2" "Kinase" "Q92630" "DYRK2" "DYRK2_HUMAN" 6.17 "Kd" "Binding affinity to DYRK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase RIO3" "Kinase" "O14730" "RIOK3" "RIOK3_HUMAN" 5.42 "Kd" "Binding constant for full-length RIOK3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 5.92 "Kd" "Binding constant for MET(M1250T) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Casein kinase I isoform epsilon" "Kinase" "P49674" "CSNK1E" "KC1E_HUMAN" 7.89 "Kd" "Binding constant for full-length CSNK1E" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Myosin-IIIb" "Kinase" "Q8WXR4" "MYO3B" "MYO3B_HUMAN" 5.35 "Kd" "Binding constant for MYO3B kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tdark" "Homo sapiens" +"sunitinib" 2544 "Dual specificity mitogen-activated protein kinase kinase 3" "Kinase" "P46734" "MAP2K3" "MP2K3_HUMAN" 5.77 "Kd" "Binding constant for MEK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase PAK 3" "Kinase" "O75914" "PAK3" "PAK3_HUMAN" 7.8 "Kd" "Binding constant for full-length PAK3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Calcium/calmodulin-dependent protein kinase type II subunit beta" "Kinase" "Q13554" "CAMK2B" "KCC2B_HUMAN" 5.85 "Kd" "Binding constant for CAMK2B kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 6.39 "Kd" "Binding constant for JAK2(Kin.Dom.2/JH1 - catalytic) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Ribosomal protein S6 kinase alpha-6" "Kinase" "Q9UK32" "RPS6KA6" "KS6A6_HUMAN" 5.62 "Kd" "Binding constant for RPS6KA6(Kin.Dom.1 - C-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "MAP/microtubule affinity-regulating kinase 3" "Kinase" "P27448" "MARK3" "MARK3_HUMAN" 6.39 "Kd" "Binding constant for full-length MARK3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Ribosomal protein S6 kinase alpha-1" "Kinase" "Q15418" "RPS6KA1" "KS6A1_HUMAN" 7.02 "Kd" "Binding affinity to RPS6KA4(Kin.Dom.1-N-terminal)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase NIM1" "Kinase" "Q8IY84" "NIM1K" "NIM1_HUMAN" 6.07 "Kd" "Binding affinity to NIM1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "Cyclin-G-associated kinase" "Kinase" "O14976" "GAK" "GAK_HUMAN" 7.7 "Kd" "Binding constant for GAK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase SBK1" "Kinase" "Q52WX2" "SBK1" "SBK1_HUMAN" 6.7 "Kd" "Binding constant for SBK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tdark" "Homo sapiens" +"sunitinib" 2544 "Mitogen-activated protein kinase kinase kinase 15" "Kinase" "Q6ZN16" "MAP3K15" "M3K15_HUMAN" 5.89 "Kd" "Binding affinity to MAP3K15" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Microtubule-associated serine/threonine-protein kinase 1" "Kinase" "Q9Y2H9" "MAST1" "MAST1_HUMAN" 6.7 "Kd" "Binding affinity to MAST1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Aurora kinase A" "Kinase" "O14965" "AURKA" "AURKA_HUMAN" 5.77 "Kd" "Binding constant for AURKA kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Dual specificity mitogen-activated protein kinase kinase 5" "Kinase" "Q13163" "MAP2K5" "MP2K5_HUMAN" 7.34 "Kd" "Binding constant for MEK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Tyrosine-protein kinase JAK1" "Kinase" "P23458" "JAK1" "JAK1_HUMAN" 8.05 "Kd" "Inhibition of Jak1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Casein kinase I isoform delta" "Kinase" "P48730" "CSNK1D" "KC1D_HUMAN" 7.82 "Kd" "Binding constant for full-length CSNK1D" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Tyrosine-protein kinase ITK/TSK" "Kinase" "Q08881" "ITK" "ITK_HUMAN" 7.89 "Kd" "Binding constant for ITK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Homeodomain-interacting protein kinase 3" "Kinase" "Q9H422" "HIPK3" "HIPK3_HUMAN" 7.39 "Kd" "Binding affinity to HIPK3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "Homeodomain-interacting protein kinase 2" "Kinase" "Q9H2X6" "HIPK2" "HIPK2_HUMAN" 7.51 "Kd" "Binding affinity to HIPK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase pim-3" "Kinase" "Q86V86" "PIM3" "PIM3_HUMAN" 5.62 "Kd" "Binding constant for PIM3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Maternal embryonic leucine zipper kinase" "Kinase" "Q14680" "MELK" "MELK_HUMAN" 6.46 "Kd" "Binding constant for full-length MELK" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Wee1-like protein kinase" "Kinase" "P30291" "WEE1" "WEE1_HUMAN" 5.96 "Kd" "Binding constant for WEE1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Tyrosine-protein kinase BTK" "Kinase" "Q06187" "BTK" "BTK_HUMAN" 5.68 "Kd" "Binding constant for BTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Interferon-induced, double-stranded RNA-activated protein kinase" "Kinase" "P19525" "EIF2AK2" "E2AK2_HUMAN" 6.17 "Kd" "Binding constant for PRKR kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "NUAK family SNF1-like kinase 1" "Kinase" "O60285" "NUAK1" "NUAK1_HUMAN" 7.32 "Kd" "Binding constant for ARK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase BRSK2" "Kinase" "Q8IWQ3" "BRSK2" "BRSK2_HUMAN" 5.96 "Kd" "Binding constant for full-length BRSK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "U4/U6 small nuclear ribonucleoprotein Prp4" "Unclassified" "O43172" "PRPF4" "PRP4_HUMAN" 6.41 "Kd" "Binding affinity to PRP4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase D1" "Kinase" "Q15139" "PRKD1" "KPCD1_HUMAN" 6.51 "Kd" "Binding constant for PRKD1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Mitogen-activated protein kinase kinase kinase 13" "Kinase" "O43283" "MAP3K13" "M3K13_HUMAN" 7.02 "Kd" "Binding affinity to LZK" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase TBK1" "Kinase" "Q9UHD2" "TBK1" "TBK1_HUMAN" 6.92 "Kd" "Binding affinity to TBK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase ICK" "Kinase" "Q9UPZ9" "ICK" "ICK_HUMAN" 6.33 "Kd" "Binding affinity to ICK" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase Nek7" "Kinase" "Q8TDX7" "NEK7" "NEK7_HUMAN" 5.39 "Kd" "Binding constant for full-length NEK7" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "Mitogen-activated protein kinase kinase kinase kinase 1" "Kinase" "Q92918" "MAP4K1" "M4K1_HUMAN" 7.8 "Kd" "Binding constant for MAP4K1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase/endoribonuclease IRE1" "Kinase" "O75460" "ERN1" "ERN1_HUMAN" 6.22 "Kd" "Binding affinity to ERN1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "MAP kinase-interacting serine/threonine-protein kinase 1" "Kinase" "Q9BUB5" "MKNK1" "MKNK1_HUMAN" 5.41 "Kd" "Binding constant for MKNK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "MAP/microtubule affinity-regulating kinase 4" "Kinase" "Q96L34" "MARK4" "MARK4_HUMAN" 5.44 "Kd" "Binding constant for MARK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase OSR1" "Kinase" "O95747" "OXSR1" "OXSR1_HUMAN" 6.28 "Kd" "Binding affinity to OSR1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "Tyrosine-protein kinase Fgr" "Kinase" "P09769" "FGR" "FGR_HUMAN" 6.57 "Kd" "Binding constant for FGR kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase D3" "Kinase" "O94806" "PRKD3" "KPCD3_HUMAN" 6.55 "Kd" "Binding constant for PRKD3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase Sgk3" "Kinase" "Q96BR1" "SGK3" "SGK3_HUMAN" 6.66 "Kd" "Binding constant for SGK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "STE20/SPS1-related proline-alanine-rich protein kinase" "Kinase" "Q9UEW8" "STK39" "STK39_HUMAN" 6.85 "Kd" "Binding affinity to STK39" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "Mitogen-activated protein kinase kinase kinase 7" "Kinase" "O43318" "MAP3K7" "M3K7_HUMAN" 7.03 "Kd" "Binding affinity to TAK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Dual specificity protein kinase CLK2" "Kinase" "P49760" "CLK2" "CLK2_HUMAN" 7.7 "Kd" "Binding constant for CLK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "G protein-coupled receptor kinase 7" "Kinase" "Q8WTQ7" "GRK7" "GRK7_HUMAN" 6.74 "Kd" "Binding affinity to GRK7" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Myosin light chain kinase family member 4" "Kinase" "Q86YV6" "MYLK4" "MYLK4_HUMAN" 7.82 "Kd" "Binding constant for SgK085 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Tyrosine-protein kinase FRK" "Kinase" "P42685" "FRK" "FRK_HUMAN" 6.28 "Kd" "Binding constant for FRK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Homeodomain-interacting protein kinase 1" "Kinase" "Q86Z02" "HIPK1" "HIPK1_HUMAN" 7.26 "Kd" "Binding constant for HIPK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "Dual specificity protein kinase CLK1" "Kinase" "P49759" "CLK1" "CLK1_HUMAN" 7.66 "Kd" "Binding constant for full-length CLK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Dual specificity protein kinase TTK" "Kinase" "P33981" "TTK" "TTK_HUMAN" 7.2 "Kd" "Binding constant for TTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase tousled-like 2" "Kinase" "Q86UE8" "TLK2" "TLK2_HUMAN" 6.48 "Kd" "Binding constant for TLK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Ephrin type-A receptor 3" "Kinase" "P29320" "EPHA3" "EPHA3_HUMAN" 5.68 "Kd" "Binding constant for EPHA3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 7.72 "Kd" "Binding constant for LOK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Tyrosine-protein kinase Fer" "Kinase" "P16591" "FER" "FER_HUMAN" 5.96 "Kd" "Binding constant for FER kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase 16" "Kinase" "O75716" "STK16" "STK16_HUMAN" 6.6 "Kd" "Binding constant for STK16 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase 17B" "Kinase" "O94768" "STK17B" "ST17B_HUMAN" 6.96 "Kd" "Binding constant for full-length DRAK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Calcium/calmodulin-dependent protein kinase type II subunit gamma" "Kinase" "Q13555" "CAMK2G" "KCC2G_HUMAN" 6.36 "Kd" "Binding affinity to CAMK1G" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase PLK4" "Kinase" "O00444" "PLK4" "PLK4_HUMAN" 6.72 "Kd" "Binding constant for PLK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "AP2-associated protein kinase 1" "Kinase" "Q2M2I8" "AAK1" "AAK1_HUMAN" 7.96 "Kd" "Binding constant for AAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase MARK2" "Kinase" "Q7KZI7" "MARK2" "MARK2_HUMAN" 6.51 "Kd" "Binding constant for MARK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 5.92 "Kd" "Binding constant for JAK3(Kin.Dom.2/JH1 - catalytic) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Ribosomal protein S6 kinase alpha-5" "Kinase" "O75582" "RPS6KA5" "KS6A5_HUMAN" 7.77 "Kd" "Binding affinity to RPS6KA2(Kin.Dom.1-N-terminal)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Casein kinase II subunit alpha'" "Kinase" "P19784" "CSNK2A2" "CSK22_HUMAN" 6.8 "Kd" "Binding constant for CSNK2A2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Myosin light chain kinase, smooth muscle" "Kinase" "P11799" "Mylk" "MYLK_CHICK" 7.64 "Kd" "Binding constant for MLCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Gallus gallus" +"sunitinib" 2544 "Tyrosine-protein kinase Yes" "Kinase" "P07947" "YES1" "YES_HUMAN" 6.92 "Kd" "Binding constant for YES kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase 38" "Kinase" "Q15208" "STK38" "STK38_HUMAN" 6.39 "Kd" "Binding affinity to NDR1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase N2" "Kinase" "Q16513" "PKN2" "PKN2_HUMAN" 5.89 "Kd" "Binding constant for PKN2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.3 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase TAO1" "Kinase" "Q7L7X3" "TAOK1" "TAOK1_HUMAN" 6.05 "Kd" "Binding affinity to TAOK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "Tyrosine-protein kinase HCK" "Kinase" "P08631" "HCK" "HCK_HUMAN" 6.06 "Kd" "Binding constant for HCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Aurora kinase C" "Kinase" "Q9UQB9" "AURKC" "AURKC_HUMAN" 6.66 "Kd" "Binding constant for full-length AURKC" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Phosphorylase b kinase gamma catalytic chain, liver/testis isoform" "Kinase" "P15735" "PHKG2" "PHKG2_HUMAN" 8.23 "Kd" "Binding constant for PHKG2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Casein kinase I isoform gamma-1" "Kinase" "Q9HCP0" "CSNK1G1" "KC1G1_HUMAN" 6.03 "Kd" "Binding constant for CSNK1G1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "High affinity nerve growth factor receptor" "Kinase" "P04629" "NTRK1" "NTRK1_HUMAN" 7 "Kd" "Binding constant for TRKA kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 10.12 "Kd" "Binding constant for PDGFRB kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "INHIBITOR" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 6.28 "Kd" "Binding constant for FGFR1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" 6.28 "Kd" "Average Binding Constant for FGFR2; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Rho-associated protein kinase 1" "Kinase" "Q13464" "ROCK1" "ROCK1_HUMAN" 6.34 "Kd" "Binding affinity to ROCK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Ribosomal protein S6 kinase alpha-3" "Kinase" "P51812" "RPS6KA3" "KS6A3_HUMAN" 7.26 "Kd" "Average Binding Constant for RPS6KA3 (Kin.Dom. 1); NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Citron Rho-interacting kinase" "Kinase" "O14578" "CIT" "CTRO_HUMAN" 5.41 "Kd" "Binding constant for CIT kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "Myosin-IIIa" "Kinase" "Q8NEV4" "MYO3A" "MYO3A_HUMAN" 5.51 "Kd" "Binding constant for MYO3A kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "Homeodomain-interacting protein kinase 4" "Kinase" "Q8NE63" "HIPK4" "HIPK4_HUMAN" 6.8 "Kd" "Binding affinity to HIPK4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Ankyrin repeat and protein kinase domain-containing protein 1" "Kinase" "Q8NFD2" "ANKK1" "ANKK1_HUMAN" 6.51 "Kd" "Binding constant for ANKK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase 25" "Kinase" "O00506" "STK25" "STK25_HUMAN" 6.54 "Kd" "Binding constant for YSK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase ULK3" "Kinase" "Q3U3Q1" "Ulk3" "ULK3_MOUSE" 6.96 "Kd" "Average Binding Constant for ULK3 m; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Mus musculus" +"sunitinib" 2544 "Myosin light chain kinase, smooth muscle" "Kinase" "Q15746" "MYLK" "MYLK_HUMAN" 7.64 "Kd" "Binding affinity to MLCK" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Mitogen-activated protein kinase kinase kinase 4" "Kinase" "Q9Y6R4" "MAP3K4" "M3K4_HUMAN" 5.48 "Kd" "Average Binding Constant for MAP3K4; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "Mitogen-activated protein kinase kinase kinase kinase 5" "Kinase" "Q9Y4K4" "MAP4K5" "M4K5_HUMAN" 7.39 "Kd" "Binding constant for MAP4K5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase 38-like" "Kinase" "Q9Y2H1" "STK38L" "ST38L_HUMAN" 6.01 "Kd" "Binding constant for NDR2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase DCLK2" "Kinase" "Q8N568" "DCLK2" "DCLK2_HUMAN" 5.57 "Kd" "Binding constant for DCAMKL2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Misshapen-like kinase 1" "Kinase" "Q8N4C8" "MINK1" "MINK1_HUMAN" 7.54 "Kd" "Binding affinity to MINK" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Casein kinase I isoform alpha-like" "Kinase" "Q8N752" "CSNK1A1L" "KC1AL_HUMAN" 6.26 "Kd" "Binding constant for full-length CSNK1A1L" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tdark" "Homo sapiens" +"sunitinib" 2544 "Leucine-rich repeat serine/threonine-protein kinase 2" "Kinase" "Q5S007" "LRRK2" "LRRK2_HUMAN" 7.12 "Kd" "Binding constant for LRRK2(G2019S) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase PAK 6" "Kinase" "Q9NQU5" "PAK6" "PAK6_HUMAN" 5.62 "Kd" "Binding constant for PAK6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Interleukin-1 receptor-associated kinase 4" "Kinase" "Q9NWZ3" "IRAK4" "IRAK4_HUMAN" 7.18 "Kd" "Binding constant for IRAK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 9.68 "Kd" "Binding constant for KIT(V559D,V654A) kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "INHIBITOR" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Insulin receptor-related protein" "Kinase" "P14616" "INSRR" "INSRR_HUMAN" 6.37 "Kd" "Binding constant for INSRR kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "BMP-2-inducible protein kinase" "Kinase" "Q9NSY1" "BMP2K" "BMP2K_HUMAN" 8.26 "Kd" "Binding constant for BIKE kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase pim-2" "Kinase" "Q9P1W9" "PIM2" "PIM2_HUMAN" 5.3 "Kd" "Average Binding Constant for PIM2; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase PAK 7" "Kinase" "Q9P286" "PAK5" "PAK5_HUMAN" 6.19 "Kd" "Binding constant for PAK7/PAK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase 17A" "Kinase" "Q9UEE5" "STK17A" "ST17A_HUMAN" 9 "Kd" "Binding constant for DRAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Insulin-like growth factor 1 receptor" "Kinase" "P08069" "IGF1R" "IGF1R_HUMAN" 5.59 "Kd" "Binding constant for IGF1R kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Mitogen-activated protein kinase kinase kinase 11" "Kinase" "Q16584" "MAP3K11" "M3K11_HUMAN" 5.89 "Kd" "Binding constant for MLK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Ephrin type-A receptor 6" "Kinase" "Q9UF33" "EPHA6" "EPHA6_HUMAN" 6.02 "Kd" "Binding constant for EPHA6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Megakaryocyte-associated tyrosine-protein kinase" "Kinase" "P42679" "MATK" "MATK_HUMAN" 5.11 "Kd" "Binding constant for CTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "TRAF2 and NCK-interacting protein kinase" "Kinase" "Q9UKE5" "TNIK" "TNIK_HUMAN" 7.6 "Kd" "Average Binding Constant for TNIK; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Calcium/calmodulin-dependent protein kinase kinase 2" "Kinase" "Q96RR4" "CAMKK2" "KKCC2_HUMAN" 5.82 "Kd" "Binding constant for CAMKK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Ribosomal protein S6 kinase alpha-4" "Kinase" "O75676" "RPS6KA4" "KS6A4_HUMAN" 7.02 "Kd" "Binding constant for RPS6KA4(Kin.Dom.1 - C-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Aurora kinase B" "Kinase" "Q96GD4" "AURKB" "AURKB_HUMAN" 6.42 "Kd" "Binding constant for AURKB kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "STE20-like serine/threonine-protein kinase" "Kinase" "Q9H2G2" "SLK" "SLK_HUMAN" 7.25 "Kd" "Binding constant for SLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Dual specificity protein kinase CLK4" "Kinase" "Q9HAZ1" "CLK4" "CLK4_HUMAN" 7.54 "Kd" "Binding constant for CLK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "MAP kinase-interacting serine/threonine-protein kinase 2" "Kinase" "Q9HBH9" "MKNK2" "MKNK2_HUMAN" 5.24 "Kd" "Binding constant for MKNK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Death-associated protein kinase 2" "Kinase" "Q9UIK4" "DAPK2" "DAPK2_HUMAN" 6.82 "Kd" "Binding constant for full-length DAPK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Bone morphogenetic protein receptor type-1B" "Kinase" "O00238" "BMPR1B" "BMR1B_HUMAN" 5.62 "Kd" "Binding constant for BMPR1B kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase 3" "Kinase" "Q9JI10" "Stk3" "STK3_MOUSE" 6.8 "Kd" "Average Binding Constant for STK3_m; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Mus musculus" +"sunitinib" 2544 "Non-receptor tyrosine-protein kinase TYK2" "Kinase" "P29597" "TYK2" "TYK2_HUMAN" 6.44 "Kd" "Binding affinity to TYK2(JH2domain-pseudokinase)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Interleukin-1 receptor-associated kinase 1" "Kinase" "P51617" "IRAK1" "IRAK1_HUMAN" 7.85 "Kd" "Binding affinity to IRAK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase 4" "Kinase" "Q13043" "STK4" "STK4_HUMAN" 7.72 "Kd" "Binding constant for full-length MST1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Protein-tyrosine kinase 6" "Kinase" "Q13882" "PTK6" "PTK6_HUMAN" 5.34 "Kd" "Binding constant for BRK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Calcium/calmodulin-dependent protein kinase kinase 1" "Kinase" "Q8N5S9" "CAMKK1" "KKCC1_HUMAN" 6.38 "Kd" "Binding constant for CAMKK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Calcium/calmodulin-dependent protein kinase type 1D" "Kinase" "Q8IU85" "CAMK1D" "KCC1D_HUMAN" 6.29 "Kd" "Binding constant for CAMK1D kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase 3" "Kinase" "Q13188" "STK3" "STK3_HUMAN" 7.25 "Kd" "Binding constant for MST2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Calcium/calmodulin-dependent protein kinase type 1G" "Kinase" "Q96NX5" "CAMK1G" "KCC1G_HUMAN" 6.36 "Kd" "Binding constant for CAMK1G kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "5'-AMP-activated protein kinase catalytic subunit alpha-1" "Kinase" "Q13131" "PRKAA1" "AAPK1_HUMAN" 7.72 "Kd" "Binding constant for AMPK-alpha1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase Nek2" "Kinase" "P51955" "NEK2" "NEK2_HUMAN" 6.3 "Kd" "Average Binding Constant for NEK2; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 6.57 "Kd" "Binding constant for LYN kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Ribosomal protein S6 kinase alpha-2" "Kinase" "Q15349" "RPS6KA2" "KS6A2_HUMAN" 7.77 "Kd" "Binding constant for RPS6KA2(Kin.Dom.1 - N-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Ephrin type-A receptor 5" "Kinase" "P54756" "EPHA5" "EPHA5_HUMAN" 5.92 "Kd" "Binding constant for EPHA5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase ULK2" "Kinase" "Q8IYT8" "ULK2" "ULK2_HUMAN" 7.89 "Kd" "Binding affinity to ULK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Ephrin type-B receptor 1" "Kinase" "P54762" "EPHB1" "EPHB1_HUMAN" 6.32 "Kd" "Binding constant for EPHB1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform" "Kinase" "Q16816" "PHKG1" "PHKG1_HUMAN" 8.26 "Kd" "Binding constant for full-length PHKG1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Activated CDC42 kinase 1" "Kinase" "Q07912" "TNK2" "ACK1_HUMAN" 5.66 "Kd" "Average Binding Constant for ACK1; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform" "Kinase" "P42336" "PIK3CA" "PK3CA_HUMAN" 4.96 "IC50" "Inhibition of recombinant PI3Kalpha by radioactive phosphotransfer assay in presence of 10 uM ATP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Cyclin-dependent kinase 16" "Kinase" "Q00536" "CDK16" "CDK16_HUMAN" 6.89 "Kd" "Average Binding Constant for PCTK1; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Mitogen-activated protein kinase kinase kinase kinase 3" "Kinase" "Q8IVH8" "MAP4K3" "M4K3_HUMAN" 6.74 "Kd" "Binding constant for MAP4K3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Focal adhesion kinase 1" "Kinase" "Q05397" "PTK2" "FAK1_HUMAN" 6.36 "Kd" "Binding constant for PTK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Casein kinase II subunit alpha" "Kinase" "P68400" "CSNK2A1" "CSK21_HUMAN" 7.09 "Kd" "Binding constant for full-length CSNK2A1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "RAC-beta serine/threonine-protein kinase" "Kinase" "P31751" "AKT2" "AKT2_HUMAN" 5.57 "Kd" "Binding constant for AKT2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "NT-3 growth factor receptor" "Kinase" "Q16288" "NTRK3" "NTRK3_HUMAN" 5.29 "Kd" "Binding constant for TRKC kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase STK11" "Kinase" "Q15831" "STK11" "STK11_HUMAN" 7.42 "Kd" "Binding constant for full-length LKB1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Rhodopsin kinase" "Kinase" "Q15835" "GRK1" "RK_HUMAN" 6.54 "Kd" "Binding affinity to GRK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Interleukin-1 receptor-associated kinase 3" "Kinase" "Q9Y616" "IRAK3" "IRAK3_HUMAN" 6.03 "Kd" "Binding constant for IRAK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Calcium/calmodulin-dependent protein kinase type II subunit alpha" "Kinase" "Q9UQM7" "CAMK2A" "KCC2A_HUMAN" 7.1 "Kd" "Binding constant for CAMK2A kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "G protein-coupled receptor kinase 4" "Kinase" "P32298" "GRK4" "GRK4_HUMAN" 6.85 "Kd" "Binding affinity to GRK4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Mitogen-activated protein kinase kinase kinase 2" "Kinase" "Q9Y2U5" "MAP3K2" "M3K2_HUMAN" 7.24 "Kd" "Binding affinity to MAP3K2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase ULK3" "Kinase" "Q6PHR2" "ULK3" "ULK3_HUMAN" 7.38 "Kd" "Binding affinity to ULK3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Abelson tyrosine-protein kinase 2" "Kinase" "P42684" "ABL2" "ABL2_HUMAN" 6 "Kd" "Binding constant for ABL2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase MARK1" "Kinase" "Q9P0L2" "MARK1" "MARK1_HUMAN" 5.92 "Kd" "Binding constant for MARK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase 26" "Kinase" "Q9P289" "STK26" "STK26_HUMAN" 6.47 "Kd" "Binding constant for full-length MST4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase PLK2" "Kinase" "Q9NYY3" "PLK2" "PLK2_HUMAN" 5.33 "Kd" "Binding affinity to PLK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Bone morphogenetic protein receptor type-2" "Kinase" "Q13873" "BMPR2" "BMPR2_HUMAN" 6.24 "Kd" "Binding constant for BMPR2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Protein-tyrosine kinase 2-beta" "Kinase" "Q14289" "PTK2B" "FAK2_HUMAN" 7.09 "Kd" "Binding constant for full-length PTK2B" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Tyrosine-protein kinase Blk" "Kinase" "P51451" "BLK" "BLK_HUMAN" 7.19 "Kd" "Binding constant for BLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase LATS2" "Kinase" "Q9NRM7" "LATS2" "LATS2_HUMAN" 6.34 "Kd" "Binding constant for LATS2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Inhibitor of nuclear factor kappa-B kinase subunit alpha" "Kinase" "O15111" "CHUK" "IKKA_HUMAN" 6.28 "Kd" "Binding affinity to IKK-alpha" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Dual specificity tyrosine-phosphorylation-regulated kinase 1B" "Kinase" "Q9Y463" "DYRK1B" "DYR1B_HUMAN" 5.64 "Kd" "Binding constant for full-length DYRK1B" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Inhibitor of nuclear factor kappa-B kinase subunit epsilon" "Kinase" "Q14164" "IKBKE" "IKKE_HUMAN" 6.21 "Kd" "Binding constant for full-length IKK-epsilon" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase PRP4 homolog" "Kinase" "Q13523" "PRPF4B" "PRP4B_HUMAN" 6.41 "Kd" "Binding constant for PRP4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "SNF-related serine/threonine-protein kinase" "Kinase" "Q9NRH2" "SNRK" "SNRK_HUMAN" 6.19 "Kd" "Binding constant for SNRK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "Dual serine/threonine and tyrosine protein kinase" "Kinase" "Q6XUX3" "DSTYK" "DUSTY_HUMAN" 5.89 "Kd" "Binding constant for RIPK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase PknB" "Kinase" "P9WI81" "pknB" "PKNB_MYCTU" 7.06 "Kd" "Binding constant for PKNB(M.tuberculosis) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"sunitinib" 2544 "Calcium-dependent protein kinase 1" "Kinase" "P62344" "CPK1" "CDPK1_PLAF7" 5.89 "Kd" "Binding constant for PFCDPK1(P.falciparum) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Plasmodium falciparum" +"sunitinib" 2544 "Ephrin type-B receptor 6" "Kinase" "O15197" "EPHB6" "EPHB6_HUMAN" 6.07 "Kd" "Binding affinity to EPHB6" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform" "Kinase" "O00329" "PIK3CD" "PK3CD_HUMAN" 4.92 "IC50" "Inhibition of recombinant PI3Kdelta by radioactive phosphotransfer assay in presence of 10 uM ATP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase SIK2" "Kinase" "Q9H0K1" "SIK2" "SIK2_HUMAN" 6.24 "Kd" "Binding constant for full-length SNF1LK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase TAO3" "Kinase" "Q9H2K8" "TAOK3" "TAOK3_HUMAN" 6.68 "Kd" "Binding affinity to TAOK3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "Casein kinase I isoform alpha" "Kinase" "P48729" "CSNK1A1" "KC1A_HUMAN" 7 "Kd" "Binding constant for CSNK1A1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Tankyrase-2" "Enzyme" "Q9H2K2" "TNKS2" "TNKS2_HUMAN" 5.05 "Kd" "Binding affinity to TNK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Cyclin-dependent kinase 7" "Kinase" "P50613" "CDK7" "CDK7_HUMAN" 6.48 "Kd" "Binding constant for full-length CDK7" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Rho-associated protein kinase 2" "Kinase" "O75116" "ROCK2" "ROCK2_HUMAN" 6.85 "Kd" "Binding affinity to ROCK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase 24" "Kinase" "Q9Y6E0" "STK24" "STK24_HUMAN" 7.2 "Kd" "Binding constant for MST3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Casein kinase I isoform gamma-3" "Kinase" "Q9Y6M4" "CSNK1G3" "KC1G3_HUMAN" 6.62 "Kd" "Binding constant for full-length CSNK1G3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "Death-associated protein kinase 1" "Kinase" "P53355" "DAPK1" "DAPK1_HUMAN" 6.92 "Kd" "Binding constant for DAPK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "5'-AMP-activated protein kinase catalytic subunit alpha-2" "Kinase" "P54646" "PRKAA2" "AAPK2_HUMAN" 7.05 "Kd" "Binding constant for AMPK-alpha2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 6.28 "Kd" "Binding constant for FYN kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Macrophage colony-stimulating factor 1 receptor" "Kinase" "P07333" "CSF1R" "CSF1R_HUMAN" 8.7 "Kd" "Binding constant for CSF1R kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "INHIBITOR" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Vascular endothelial growth factor receptor 3" "Kinase" "P35916" "FLT4" "VGFR3_HUMAN" 7.77 "Ki" "Binding affinity to VEGFR3 (unknown origin)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "INHIBITOR" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Uncharacterized serine/threonine-protein kinase SBK3" "Kinase" "P0C264" "SBK3" "SBK3_HUMAN" 5.72 "Kd" "Binding affinity to SgK110" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tdark" "Homo sapiens" +"sunitinib" 2544 "Hormonally up-regulated neu tumor-associated kinase" "Kinase" "P57058" "HUNK" "HUNK_HUMAN" 6.3 "Kd" "Binding affinity to HUNK" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "Discoidin domain-containing receptor 2" "Kinase" "Q16832" "DDR2" "DDR2_HUMAN" 5.54 "Kd" "Binding constant for DDR2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Cyclin-dependent kinase 17" "Kinase" "Q00537" "CDK17" "CDK17_HUMAN" 5.92 "Kd" "Binding constant for full-length PCTK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Death-associated protein kinase 3" "Kinase" "O43293" "DAPK3" "DAPK3_HUMAN" 7.66 "Kd" "Binding constant for DAPK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Tyrosine-protein kinase receptor Tie-1" "Kinase" "P35590" "TIE1" "TIE1_HUMAN" 5.41 "Kd" "Binding constant for TIE1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase PAK 4" "Kinase" "O96013" "PAK4" "PAK4_HUMAN" 5.64 "Kd" "Binding constant for PAK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase DCLK3" "Kinase" "Q9C098" "DCLK3" "DCLK3_HUMAN" 6.96 "Kd" "Binding constant for DCAMKL3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Cyclin-dependent kinase 14" "Kinase" "O94921" "CDK14" "CDK14_HUMAN" 6.57 "Kd" "Binding constant for full-length PFTK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Eukaryotic translation initiation factor 2-alpha kinase 4" "Kinase" "Q9P2K8" "EIF2AK4" "E2AK4_HUMAN" 6.74 "Kd" "Binding constant for GCN2(Kin.Dom.2,S808G) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Dual specificity tyrosine-phosphorylation-regulated kinase 1A" "Kinase" "Q13627" "DYRK1A" "DYR1A_HUMAN" 6.7 "Kd" "Binding affinity to DYRK1A" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Epithelial discoidin domain-containing receptor 1" "Kinase" "Q08345" "DDR1" "DDR1_HUMAN" 5.7 "Kd" "Binding constant for DDR1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Cyclin-dependent kinase 18" "Kinase" "Q07002" "CDK18" "CDK18_HUMAN" 5.77 "Kd" "Binding constant for full-length PCTK3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "Mitogen-activated protein kinase kinase kinase kinase 4" "Kinase" "O95819" "MAP4K4" "M4K4_HUMAN" 6.85 "Kd" "Binding constant for MAP4K4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase LATS1" "Kinase" "O95835" "LATS1" "LATS1_HUMAN" 6.2 "Kd" "Binding constant for LATS1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "Tyrosine-protein kinase receptor TYRO3" "Kinase" "Q06418" "TYRO3" "TYRO3_HUMAN" 7.31 "Kd" "Binding constant for TYRO3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Tyrosine-protein kinase Fes/Fps" "Kinase" "P07332" "FES" "FES_HUMAN" 6.02 "Kd" "Binding constant for FES kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 6.64 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Myosin light chain kinase 2, skeletal/cardiac muscle" "Kinase" "Q9H1R3" "MYLK2" "MYLK2_HUMAN" 7.31 "Kd" "Binding constant for MYLK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "Mitogen-activated protein kinase kinase kinase 9" "Kinase" "P80192" "MAP3K9" "M3K9_HUMAN" 5.47 "Kd" "Binding constant for MLK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Leukocyte tyrosine kinase receptor" "Kinase" "P29376" "LTK" "LTK_HUMAN" 5.74 "Kd" "Binding constant for LTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Mitogen-activated protein kinase kinase kinase 19" "Kinase" "Q56UN5" "MAP3K19" "M3K19_HUMAN" 7.77 "Kd" "Binding affinity to YSK4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Tyrosine-protein kinase receptor UFO" "Kinase" "P30530" "AXL" "UFO_HUMAN" 8.05 "Kd" "Binding constant for AXL kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Phosphatidylinositol 5-phosphate 4-kinase type-2 beta" "Kinase" "P78356" "PIP4K2B" "PI42B_HUMAN" 7.41 "Kd" "Binding constant for full-length PIP5K2B" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "3-phosphoinositide-dependent protein kinase 1" "Kinase" "O15530" "PDPK1" "PDPK1_HUMAN" 5.46 "Kd" "Binding constant for full-length PDPK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase D2" "Kinase" "Q9BZL6" "PRKD2" "KPCD2_HUMAN" 6.42 "Kd" "Binding constant for PRKD2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "BDNF/NT-3 growth factors receptor" "Kinase" "Q16620" "NTRK2" "NTRK2_HUMAN" 6.23 "Kd" "Binding constant for TRKB kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "NUAK family SNF1-like kinase 2" "Kinase" "Q9H093" "NUAK2" "NUAK2_HUMAN" 6.82 "Kd" "Binding constant for SNARK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Protein delta homolog 1" "Unclassified" "P80370" "DLK1" "DLK1_HUMAN" 7 "Kd" "Binding affinity to DLK" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "SRSF protein kinase 2" "Kinase" "P78362" "SRPK2" "SRPK2_HUMAN" 6.72 "Kd" "Binding constant for full-length SRPK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "Dual specificity mitogen-activated protein kinase kinase 2" "Kinase" "P36507" "MAP2K2" "MP2K2_HUMAN" 6.96 "Kd" "Binding constant for full-length MEK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Dual specificity mitogen-activated protein kinase kinase 4" "Kinase" "P45985" "MAP2K4" "MP2K4_HUMAN" 6.15 "Kd" "Binding constant for MEK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase tousled-like 1" "Kinase" "Q9UKI8" "TLK1" "TLK1_HUMAN" 6.13 "Kd" "Binding constant for TLK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "SRSF protein kinase 3" "Kinase" "Q9UPE1" "SRPK3" "SRPK3_HUMAN" 7.23 "Kd" "Binding affinity to SRPK3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Dual specificity mitogen-activated protein kinase kinase 6" "Kinase" "P52564" "MAP2K6" "MP2K6_HUMAN" 5.28 "Kd" "Binding constant for MEK6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "ALK tyrosine kinase receptor" "Kinase" "Q9UM73" "ALK" "ALK_HUMAN" 6.77 "Kd" "Binding constant for ALK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Mitogen-activated protein kinase kinase kinase 12" "Kinase" "Q12852" "MAP3K12" "M3K12_HUMAN" 7 "Kd" "Binding constant for DLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Myosin light chain kinase 3" "Kinase" "Q32MK0" "MYLK3" "MYLK3_HUMAN" 7.64 "Kd" "Binding constant for MLCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Receptor-interacting serine/threonine-protein kinase 1" "Kinase" "Q13546" "RIPK1" "RIPK1_HUMAN" 6.43 "Kd" "Binding constant for RIPK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Phosphatidylinositol 4-phosphate 5-kinase type-1 alpha" "Kinase" "Q99755" "PIP5K1A" "PI51A_HUMAN" 5.27 "Kd" "Binding constant for full-length PIP5K1A" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "Mitogen-activated protein kinase kinase kinase 3" "Kinase" "Q99759" "MAP3K3" "M3K3_HUMAN" 6.66 "Kd" "Binding affinity to MAP3K3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Cyclin-dependent-like kinase 5" "Kinase" "Q00535" "CDK5" "CDK5_HUMAN" 5.16 "Kd" "Binding constant for CDK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase RIO1" "Kinase" "Q9BRS2" "RIOK1" "RIOK1_HUMAN" 7.46 "Kd" "Binding constant for full-length RIOK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Cyclin-dependent kinase 4" "Kinase" "P11802" "CDK4" "CDK4_HUMAN" 5.7 "Kd" "Binding constant for CDK4-cyclinD3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase RIO2" "Kinase" "Q9BVS4" "RIOK2" "RIOK2_HUMAN" 7.31 "Kd" "Binding affinity to RIOK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "Ribosomal protein S6 kinase beta-1" "Kinase" "P23443" "RPS6KB1" "KS6B1_HUMAN" 7.32 "Kd" "Binding constant for S6K1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase ULK1" "Kinase" "O75385" "ULK1" "ULK1_HUMAN" 7.64 "Kd" "Binding affinity to ULK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase 33" "Kinase" "Q9BYT3" "STK33" "STK33_HUMAN" 7.77 "Kd" "Binding constant for full-length STK33" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase Chk2" "Kinase" "O96017" "CHEK2" "CHK2_HUMAN" 8.15 "Kd" "Binding affinity to CHEK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Casein kinase I isoform gamma-2" "Kinase" "P78368" "CSNK1G2" "KC1G2_HUMAN" 6.96 "Kd" "Binding constant for full-length CSNK1G2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Testis-specific serine/threonine-protein kinase 1" "Kinase" "Q9BXA7" "TSSK1B" "TSSK1_HUMAN" 5.2 "Kd" "Binding constant for full-length TSSK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Calcium/calmodulin-dependent protein kinase type II subunit delta" "Kinase" "Q13557" "CAMK2D" "KCC2D_HUMAN" 6.38 "Kd" "Binding constant for CAMK2D kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase Chk1" "Kinase" "O14757" "CHEK1" "CHK1_HUMAN" 6.52 "Kd" "Binding constant for CHEK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Receptor-interacting serine/threonine-protein kinase 4" "Kinase" "P57078" "RIPK4" "RIPK4_HUMAN" 5.68 "Kd" "Binding affinity to RIPK4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase N1" "Kinase" "Q16512" "PKN1" "PKN1_HUMAN" 6.15 "Kd" "Binding constant for PKN1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Mitogen-activated protein kinase kinase kinase kinase 2" "Kinase" "Q12851" "MAP4K2" "M4K2_HUMAN" 7.48 "Kd" "Binding constant for MAP4K2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Serine/threonine-protein kinase SIK1" "Kinase" "P57059" "SIK1" "SIK1_HUMAN" 5.49 "Kd" "Binding constant for SNF1LK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Protein kinase C alpha type" "Kinase" "P17252" "PRKCA" "KPCA_HUMAN" 5.22 "Kd" "Average Binding Constant for PRKACA; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Tyrosine-protein kinase Mer" "Kinase" "Q12866" "MERTK" "MERTK_HUMAN" 7.59 "Kd" "Binding constant for MERTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Mitogen-activated protein kinase 7" "Kinase" "Q13164" "MAPK7" "MK07_HUMAN" 5 "Kd" "Binding constant for ERK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tbio" "Homo sapiens" +"sunitinib" 2544 "Non-receptor tyrosine-protein kinase TNK1" "Kinase" "Q13470" "TNK1" "TNK1_HUMAN" 6.17 "Kd" "Binding constant for full-length TNK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL535" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Ephrin type-B receptor 4" "Kinase" "P54760" "EPHB4" "EPHB4_HUMAN" 5.508638306 "Kd" "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/22037378" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Ephrin type-A receptor 7" "Kinase" "Q15375" "EPHA7" "EPHA7_HUMAN" 5.619788758 "Kd" "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/22037378" "Tchem" "Homo sapiens" +"sunitinib" 2544 "Vascular endothelial growth factor receptor 1" "Kinase" "P17948" "FLT1" "VGFR1_HUMAN" 7.22914791107178 "IC50" "inhibition at physiological ATP concentration" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/23279183" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021938s027lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"sunitinib" 2544 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 6.95860719680786 "IC50" "inhibition at physiological ATP concentration" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/23279183" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021938s027lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"suprofen" 2546 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.96 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL956" "INHIBITOR" "Tclin" "Homo sapiens" +"suprofen" 2546 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 5.06 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL956" "INHIBITOR" "Tclin" "Homo sapiens" +"suprofen" 2546 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 4.3468 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"secretin human" 2548 "Secretin receptor" "GPCR" "P47872" "SCTR" "SCTR_HUMAN" 9.7 "EC50" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3643" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201488" "AGONIST" "Tclin" "Homo sapiens" +"tacrine" 2551 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 7.14 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL95" "INHIBITOR" "Tclin" "Homo sapiens" +"tacrine" 2551 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.289882635 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tacrine" 2551 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.522878745 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tacrine" 2551 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.953504836 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tacrine" 2551 "Acetylcholinesterase" "Enzyme" "P23795" "ACHE" "ACES_BOVIN" 7.4 "Ki" "Inhibition of fetal Bovine serum AChE" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL95" "Bos taurus" +"tacrine" 2551 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 5.68 "IC50" "Binding affinity against mouse M2 muscarinic receptor using heart tissue and [3H]N-methylscopolamine" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL95" "Rattus norvegicus" +"tacrine" 2551 "Acetylcholine receptor subunit epsilon" "Ion channel" "Q04844" "CHRNE" "ACHE_HUMAN" 7.36 "IC50" "Inhibition of acetylcholinesterase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL95" "Tclin" "Homo sapiens" +"tacrine" 2551 "Amine oxidase [flavin-containing] A" "Enzyme" "P21396" "Maoa" "AOFA_RAT" 7.4 "IC50" "Inhibition of mitochondrial MAO-A in rat liver homogenates using [14C]-(5-hydroxy-triptamine) as substrate preincubated for 30 mins by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL95" "Rattus norvegicus" +"tacrine" 2551 "Muscarinic acetylcholine receptor M2" "GPCR" "Q9ERZ4" "Chrm2" "ACM2_MOUSE" 6.66 "Ki" "Ability to displace [3H]oxotremorine ([3H]-OXO-M) from mouse cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL95" "Mus musculus" +"tacrine" 2551 "Muscarinic acetylcholine receptor M2" "GPCR" "P06199" "CHRM2" "ACM2_PIG" 5.2 "EC50" "Inhibition of [3H]NMS dissociation from porcine muscarinic M2 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL95" "Sus scrofa" +"tacrine" 2551 "Acetylcholinesterase" "Enzyme" "P04058" "ache" "ACES_TORCA" 7.4 "Ki" "Inhibition of Torpedo californica AChE" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL95" "Torpedo californica" +"tacrine" 2551 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 8 "Ki" "Tested for in vitro inhibition of acetylcholinesterase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL95" "Electrophorus electricus" +"tacrine" 2551 "Histamine N-methyltransferase" "Enzyme" "Q01984" "Hnmt" "HNMT_RAT" 6.96 "IC50" "Inhibition of rat kidney Histamine N-Methyltransferase (HMT) activity determined by the formation of N-methyl-histamine" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL95" "Rattus norvegicus" +"tacrine" 2551 "Choline O-acetyltransferase" "Enzyme" "P32738" "Chat" "CLAT_RAT" 9.82 "Ki" "Inhibition constant determined against Acetylcholinesterase (AChE) receptor." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL95" "Rattus norvegicus" +"tacrine" 2551 "Acetylcholinesterase" "Enzyme" "P37136" "Ache" "ACES_RAT" 7.34 "IC50" "Inhibition of Acetylcholinesterase in rat red blood cell" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL95" "Rattus norvegicus" +"tacrine" 2551 "Acetylcholinesterase" "Enzyme" "P21836" "Ache" "ACES_MOUSE" 7.74 "Kd" "Dissociation constant towards Acetylcholinesterase in mouse" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL95" "Mus musculus" +"tacrine" 2551 "Butyrylcholinesterase; Protein Bche" "Enzyme" "Q9JKC1" "Bche" "Q9JKC1_RAT" 8.05 "IC50" "Inhibition of rat plasma butyrylcholine esterase in presence of butyrylcholine substrate by chemiluminescent assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL95" "Rattus norvegicus" +"tacrine" 2551 "Glutamate NMDA receptor; GRIN1/GRIN2B" "Ion channel" "Q05586|Q13224" "GRIN1|GRIN2B" "NMDE2_HUMAN|NMDZ1_HUMAN" 4.36 "IC50" "Inhibition of dexamethasone-induced human NR1-1a/NR2B receptor-mediated excitotoxicity in (S)-glutamate/glycine-stimulated mouse L13-E6 cells assessed as LDH release after 30 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL95" "Tclin|Tclin" "Homo sapiens" +"tacrine" 2551 "Glutamate NMDA receptor; GRIN1/GRIN2A" "Ion channel" "Q05586|Q12879" "GRIN1|GRIN2A" "NMDE1_HUMAN|NMDZ1_HUMAN" 5.31 "IC50" "Inhibition of dexamethasone-induced human NR1-1a/NR2A receptor-mediated excitotoxicity in (S)-glutamate/glycine-stimulated mouse L12-G10 cells assessed as LDH release after 30 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL95" "Tclin|Tclin" "Homo sapiens" +"tacrine" 2551 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 8.61 "IC50" "Inhibition of equine BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins before substrate addition measured for 10 mins by Ellman's method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL95" "Equus caballus" +"tacrine" 2551 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm2|Chrm3|Chrm4|Chrm5" "ACM1_RAT|ACM2_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT" 5.23 "IC50" "Inhibition of [3H]quinuclidinyl benzilate (QNB) binding from rat forebrain membranes in the presence of Zn" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL95" "Rattus norvegicus" +"tacrine" 2551 "Muscarinic acetylcholine receptor M1" "GPCR" "P12657" "Chrm1" "ACM1_MOUSE" 5.7 "IC50" "Binding affinity against mouse Muscarinic acetylcholine receptor M1 using cerebral cortex and [3H]pirenzepine" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL95" "Mus musculus" +"tacrine" 2551 "Butyrylcholinesterase" "Enzyme" "Q9N1N9" "BCHE" "Q9N1N9_HORSE" 8.15 "Ki" "Inhibition of Equine Butyrylcholinesterase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL95" "Equus caballus" +"tacrine" 2551 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 5.301 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"tacrine" 2551 "Cholinesterase" "Enzyme" "P06276" "BCHE" "CHLE_HUMAN" 7.30103015899658 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/24508831" "http://www.ncbi.nlm.nih.gov/pubmed/24508831" "INHIBITOR" "Tclin" "Homo sapiens" +"tacrine" 2551 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 5.56 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL95" "Rattus norvegicus" +"tacrolimus" 2552 "Peptidyl-prolyl cis-trans isomerase FKBP1A" "Enzyme" "P62942" "FKBP1A" "FKB1A_HUMAN" 9.398 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL269732" "INHIBITOR" "Tclin" "Homo sapiens" +"tacrolimus" 2552 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tacrolimus" 2552 "Serine/threonine-protein phosphatase 2B catalytic subunit gamma isoform" "Enzyme" "P48454" "PPP3CC" "PP2BC_HUMAN" 7.456 "Ki" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"tacrolimus" 2552 "Interleukin-2" "Cytokine" "P60568" "IL2" "IL2_HUMAN" 9.72 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"tacrolimus" 2552 "Interferon gamma" "Cytokine" "P01579" "IFNG" "IFNG_HUMAN" 10.22 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"tacrolimus" 2552 "Interleukin-5" "Cytokine" "P05113" "IL5" "IL5_HUMAN" 10.22 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"tacrolimus" 2552 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"tacrolimus" 2552 "Peptidyl-prolyl cis-trans isomerase FKBP10" "Enzyme" "Q96AY3" "FKBP10" "FKB10_HUMAN" 9.02 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"tacrolimus" 2552 "Serine/threonine-protein kinase mTOR" "Kinase" "P42345" "MTOR" "MTOR_HUMAN" 9.02 "IC50" "Inhibitory activity against macrophilin (FKBP-12)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL269732" "Tclin" "Homo sapiens" +"tacrolimus" 2552 "Splicing factor 3B subunit 3" "Unclassified" "Q15393" "SF3B3" "SF3B3_HUMAN" 7.96 "IC50" "Inhibition of SAP130 mediated cell growth in human WiDr cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL269732" "Tchem" "Homo sapiens" +"tacrolimus" 2552 "Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform" "Enzyme" "Q08209" "PPP3CA" "PP2BA_HUMAN" 7.7 "Kd" "Binding affinity to protein phosphatase, calcineurin (CN) was determined" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL269732" "Tchem" "Homo sapiens" +"tacrolimus" 2552 "Peptidyl-prolyl cis-trans isomerase FKBP5" "Enzyme" "Q13451" "FKBP5" "FKBP5_HUMAN" 7.1 "Ki" "Binding affinity to human FKBP51 by competitive fluorescence polarization assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL269732" "Tchem" "Homo sapiens" +"tacrolimus" 2552 "Peptidyl-prolyl cis-trans isomerase FKBP1B" "Enzyme" "P68106" "FKBP1B" "FKB1B_HUMAN" 9.39999961853027 "Kd" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL269732" "Tchem" "Homo sapiens" +"tadalafil" 2553 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "O76074" "PDE5A" "PDE5A_HUMAN" 8 "Ki" "Inhibition of human phosphodiesterase 5" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL779" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL779" "INHIBITOR" "Tclin" "Homo sapiens" +"tadalafil" 2553 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "O54735" "Pde5a" "PDE5A_RAT" 8.3 "Ki" "Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL779" "Rattus norvegicus" +"tadalafil" 2553 "Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha" "Enzyme" "P11541" "PDE6A" "PDE6A_BOVIN" 5.52 "IC50" "Inhibition of bovine retina PDE6" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL779" "Bos taurus" +"tadalafil" 2553 "Phosphodiesterase 6" "Enzyme" "O43924|P16499|P18545|P35913|P51160|Q13956" "PDE6A|PDE6B|PDE6C|PDE6D|PDE6G|PDE6H" "CNCG_HUMAN|CNRG_HUMAN|PDE6A_HUMAN|PDE6B_HUMAN|PDE6C_HUMAN|PDE6D_HUMAN" 6.01 "IC50" "Inhibition of human phosphodiesterase 6" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL779" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"tadalafil" 2553 "Phosphodiesterase 6" "Enzyme" "P04972|P11541|P16586|P22571|P23439|Q95142" "PDE6A|PDE6B|PDE6C|PDE6D|PDE6G|PDE6H" "CNCG_BOVIN|CNRG_BOVIN|PDE6A_BOVIN|PDE6B_BOVIN|PDE6C_BOVIN|PDE6D_BOVIN" 5.29 "IC50" "Inhibition of bovine retina PDE6 (Phosphodiesterase 6)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL779" "Bos taurus" +"tadalafil" 2553 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "Q28156" "PDE5A" "PDE5A_BOVIN" 8.48 "IC50" "Inhibition of bovine PDE5 after 24 hrs by HTRF" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL779" "Bos taurus" +"tadalafil" 2553 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4 "IC50" "Inhibition of human ERG channel in HEK293 cells by voltage-clamp method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL779" "Tclin" "Homo sapiens" +"tadalafil" 2553 "Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A" "Enzyme" "Q9HCR9" "PDE11A" "PDE11_HUMAN" 7.48 "IC50" "Inhibition of human phosphodiesterase 11" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL779" "Tchem" "Homo sapiens" +"talbutal" 2556 "GABA-A receptor; anion channel" "Ion channel" "O00591|O14764|P14867|P18505|P18507|P28472|P31644|P34903|P47869|P47870|P48169|P78334|Q16445|Q8N1C3|Q99928|Q9UN88" "GABRA1|GABRA2|GABRA3|GABRA4|GABRA5|GABRA6|GABRB1|GABRB2|GABRB3|GABRD|GABRE|GABRG1|GABRG2|GABRG3|GABRP|GABRQ" "GBRA1_HUMAN|GBRA2_HUMAN|GBRA3_HUMAN|GBRA4_HUMAN|GBRA5_HUMAN|GBRA6_HUMAN|GBRB1_HUMAN|GBRB2_HUMAN|GBRB3_HUMAN|GBRD_HUMAN|GBRE_HUMAN|GBRG1_HUMAN|GBRG2_HUMAN|GBRG3_HUMAN|GBRP_HUMAN|GBRT_HUMAN" "Mechanism of Action; CHEMBL2093872; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200802" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200802" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"talinolol" 2557 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"talinolol" 2557 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"talipexole" 2558 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.48148584365845 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"talipexole" 2558 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 5.40999984741211 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"talipexole" 2558 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.90000009536743 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"talipexole" 2558 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 5.46000003814697 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"talipexole" 2558 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 6.48000001907349 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"talipexole" 2558 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.69500017166138 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"talipexole" 2558 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.69000005722046 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"talipexole" 2558 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.30946779251099 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"talipexole" 2558 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.91499996185303 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"talipexole" 2558 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.76999998092651 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"talipexole" 2558 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 7.6 "IC50" "Binding affinity against Alpha-2 adrenergic receptor is the ability to inhibit the specific [3H]clonidine binding (0.4 nM) to rat isolated brain membranes by 50% was reported; 2.5*10e-8" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL279085" "Rattus norvegicus" +"talipexole" 2558 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 8.24 "Ki" "In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 high)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL279085" "Rattus norvegicus" +"taltirelin" 2560 "Thyrotropin-releasing hormone receptor" "GPCR" "P34981" "TRHR" "TRFR_HUMAN" 6.5 "Ki" "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2143" "http://www.ncbi.nlm.nih.gov/pubmed/15931571" "AGONIST" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.000695428 "Ki" "DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.357436563 "IC50" "DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.146180154 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.371508895 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.33460665 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 5.399571674 "Ki" "DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.139063379 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.906578315 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.835944708 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.158077688 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.862645889 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.877456476 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.617982957 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.794254459 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.438898616 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.034328029 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.166852888 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.557363474 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.200659451 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.172630727 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.731188096 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.238222462 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.835052627 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 4.85811145 "Ki" "DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.67943832 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"tamoxifen" 2561 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.407490152 "Ki" "DRUGMATRIX: Dopamine D4.2 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"tamoxifen" 2561 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.611011215 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.203981031 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.327717375 "Ki" "DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.449404793 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "Substance-P receptor" "GPCR" "P25103" "TACR1" "NK1R_HUMAN" 5.068542129 "Ki" "DRUGMATRIX: Tachykinin NK1 radioligand binding (ligand: [3H] Substance P)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 5.095122233 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.922632095 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.530325227 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 6.038104526 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"tamoxifen" 2561 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.912573543 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"tamoxifen" 2561 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 4.820793024 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"tamoxifen" 2561 "Sodium/potassium-transporting ATPase subunit alpha-2" "Ion channel" "D2WKD8" "ATP1A2" "AT1A2_PIG" 4.806569276 "IC50" "DRUGMATRIX: ATPase, Na+/K+ enzyme inhibition (substrate: ATP)" "DRUG MATRIX" "=" "Sus scrofa" +"tamoxifen" 2561 "B2 bradykinin receptor" "GPCR" "P30411" "BDKRB2" "BKRB2_HUMAN" 4.919085041 "Ki" "DRUGMATRIX: Bradykinin B2 radioligand binding (ligand: [3H] Bradykinin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "Melanocortin receptor 4" "GPCR" "P32245" "MC4R" "MC4R_HUMAN" 4.533013817 "Ki" "DRUGMATRIX: Melanocortin MC4 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "Melanocortin receptor 5" "GPCR" "P33032" "MC5R" "MC5R_HUMAN" 4.604044903 "Ki" "DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"tamoxifen" 2561 "Melanocortin receptor 3" "GPCR" "P41968" "MC3R" "MC3R_HUMAN" 4.761226498 "Ki" "DRUGMATRIX: Melanocortin MC3 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"tamoxifen" 2561 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.419075024 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"tamoxifen" 2561 "Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform" "Enzyme" "Q08209" "PPP3CA" "PP2BA_HUMAN" 4.514661944 "IC50" "DRUGMATRIX: Protein Serine/Threonine Phosphatase, PPP3CA (Calcineurin, PP2B) enzyme inhibition (substrate: DiFMUP)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"tamoxifen" 2561 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 5.58686795 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"tamoxifen" 2561 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.5 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" 7.4559 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"tamoxifen" 2561 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.0605 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"tamoxifen" 2561 "Estrogen-related receptor gamma" "Nuclear hormone receptor" "P62508" "ESRRG" "ERR3_HUMAN" 7.1 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"tamoxifen" 2561 "G-protein coupled estrogen receptor 1" "GPCR" "Q99527" "GPER1" "GPER1_HUMAN" 7.5 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"tamoxifen" 2561 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 5.91 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 5.6576 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"tamoxifen" 2561 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"tamoxifen" 2561 "3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase" "Enzyme" "Q15125" "EBP" "EBP_HUMAN" 8.301 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"tamoxifen" 2561 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 4.46 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 7.51 "Ki" "Displacement of [2,4,6,7-3H]estradiol from human ERalpha expressed in HeLa cells after 18 hrs by liquid scintillation counting" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL83" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL83" "MODULATOR" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.98 "Ki" "Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells after 1.5 hrs by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL83" "Tchem" "Homo sapiens" +"tamoxifen" 2561 "Emopamil-binding protein-like" "Unclassified" "Q9BY08" "EBPL" "EBPL_HUMAN" 8.55 "Ki" "Binding affinity to emopamil binding protein (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL83" "Tchem" "Homo sapiens" +"tamoxifen" 2561 "Transcriptional activator protein luxR" "Unclassified" "P12746" "luxR" "LUXR_ALIFS" 4.4 "IC50" "Inhibition of LuxR-dependent quorum sensing in Vibrio fischeri assessed as reduction of 3-oxo-C6-HSL-induced bioluminescence intensity" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL83" "Aliivibrio fischeri" +"tamoxifen" 2561 "Steroid hormone receptor ERR1" "Nuclear hormone receptor" "P11474" "ESRRA" "ERR1_HUMAN" 6.7 "IC50" "Antagonist activity at ERalpha receptor in human MCF7 cells assessed as inhibition of cell growth after 6 days by crystal violet staining method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL83" "Tchem" "Homo sapiens" +"tamoxifen" 2561 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.8 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL83" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "C-8 sterol isomerase" "Enzyme" "P32352" "ERG2" "ERG2_YEAST" 5.82 "Ki" "Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL83" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"tamoxifen" 2561 "Anti-estrogen binding site (AEBS)" "Enzyme" "Q15125|Q9UBM7" "DHCR7|EBP" "DHCR7_HUMAN|EBP_HUMAN" 9 "Kd" "Binding affinity towards antiestrogen binding site AEBS" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL83" "Tchem|Tchem" "Homo sapiens" +"tamoxifen" 2561 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 6.89 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL83" "Tclin" "Homo sapiens" +"tamoxifen" 2561 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 4.92 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL83" "Rattus norvegicus" +"tamoxifen" 2561 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 4.66 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL83" "Rattus norvegicus" +"tamsulosin" 2562 "Alpha-1B adrenergic receptor" "GPCR" "P18841" "ADRA1B" "ADA1B_MESAU" 9.7 "Ki" "In vitro binding affinity using [3H]prazosin as radioligand against adrenoceptor alpha 1b expressed in LTK cell" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL836" "Mesocricetus auratus" +"tamsulosin" 2562 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 9.1 "Ki" "Binding affinity towards recombinant human Compound at 1 uM was tested for the inhibition of radioligand [3H]8-OH-DPAT binding to recombinant human 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL836" "Tclin" "Homo sapiens" +"tamsulosin" 2562 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.87 "Ki" "Binding affinity against human adrenergic receptor subtype Alpha-2A adrenergic receptor using [3H]rauwolscine as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL836" "Tclin" "Homo sapiens" +"tamsulosin" 2562 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.89 "Ki" "Binding affinity towards recombinant human Dopamine receptor D2L was determined using [3H]spiperone as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL836" "Tclin" "Homo sapiens" +"tamsulosin" 2562 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 10.24 "Ki" "Binding affinity against human adrenergic receptor subtype Alpha-1D adrenergic receptor using [3H]prazosin as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL836" "Tclin" "Homo sapiens" +"tamsulosin" 2562 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 10.54 "Ki" "Binding affinity against human adrenergic receptor subtype Alpha-1A adrenergic receptor using [3H]prazosin as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL836" "Tclin" "Homo sapiens" +"tamsulosin" 2562 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 9.21 "Ki" "Binding affinity against human adrenergic receptor subtype Alpha-1B adrenergic receptor using [3H]prazosin as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL836" "Tclin" "Homo sapiens" +"tamsulosin" 2562 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.55 "Ki" "Binding affinity towards recombinant human Dopamine receptor D3 was determined using [3H]spiperone as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL836" "Tclin" "Homo sapiens" +"tamsulosin" 2562 "Alpha-2B adrenergic receptor" "GPCR" "P19328" "Adra2b" "ADA2B_RAT" 8.17 "Ki" "Binding affinity against rat Alpha-2B adrenergic receptor using [3H]rauwolscine as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL836" "Rattus norvegicus" +"tamsulosin" 2562 "Alpha-1D adrenergic receptor" "GPCR" "P23944" "Adra1d" "ADA1D_RAT" 10.15 "Ki" "In vitro binding affinity using [3H]prazosin as radioligand against adrenoceptor alpha 1d expressed in LTK cell" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL836" "Rattus norvegicus" +"tamsulosin" 2562 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 8.1 "Ki" "Binding affinity against human Alpha-2C adrenergic receptor using [3H]rauwolscine as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL836" "Tclin" "Homo sapiens" +"tamsulosin" 2562 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 10.52 "Ki" "In vitro binding affinity using [3H]prazosin as radioligand against adrenoceptor alpha 1A" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL836" "Rattus norvegicus" +"tamsulosin" 2562 "Serotonin 1 (5-HT1) receptor" "GPCR" "P19327|P28564|P28565|P30940" "Htr1a|Htr1b|Htr1d|Htr1f" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT" 6.03 "Ki" "Binding affinity towards 5-hydroxytryptamine 1 receptor was determined in rat cerebral cortex using [3H]5-HT as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL836" "Rattus norvegicus" +"tamsulosin" 2562 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 7.08 "Ki" "Binding affinity towards recombinant human 5-hydroxytryptamine 7 receptor was determined using [3H]LSD as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL836" "Tclin" "Homo sapiens" +"tamsulosin" 2562 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 9.9 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL836" "Bos taurus" +"tandospirone" 2563 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.49 "Ki" "Binding affinity to 5-hydroxytryptamine 1A receptor was determined" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL274047" "Tclin" "Homo sapiens" +"tandospirone" 2563 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.55 "Ki" "Binding affinity for DA2 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL274047" "Tclin" "Homo sapiens" +"tandospirone" 2563 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.14 "Ki" "Binding affinity to Dopamine receptor D4 was determined" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL274047" "Tchem" "Homo sapiens" +"tazarotene" 2571 "Retinoic acid receptor beta" "Nuclear hormone receptor" "P10826" "RARB" "RARB_HUMAN" 9.1 "EC50" "Activity at human RARbeta ligand binding domain expressed in COS7 cells co-transfected with Gal4-DBD assessed as transcriptional activation after 16 hrs by Gal4 response element-driven luciferase reporter gene assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1657" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1657" "AGONIST" "Tclin" "Homo sapiens" +"tazarotene" 2571 "Retinoic acid receptor alpha" "Nuclear hormone receptor" "P10276" "RARA" "RARA_HUMAN" 7.2 "EC50" "Activity at human RARalpha ligand binding domain expressed in COS7 cells co-transfected with Gal4-DBD assessed as transcriptional activation after 16 hrs by Gal4 response element-driven luciferase reporter gene assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1657" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1657" "AGONIST" "Tclin" "Homo sapiens" +"tazarotene" 2571 "Retinoic acid receptor gamma" "Nuclear hormone receptor" "P13631" "RARG" "RARG_HUMAN" 7.4 "EC50" "Activity at human RARgamma ligand binding domain expressed in COS7 cells co-transfected with Gal4-DBD assessed as transcriptional activation after 16 hrs by Gal4 response element-driven luciferase reporter gene assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1657" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1657" "AGONIST" "Tclin" "Homo sapiens" +"tazobactam" 2572 "Beta-lactamase TEM" "Enzyme" "P62593" "bla; blaT-3; blaT-4;" "BLAT_ECOLX" 6.6021 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL404" "INHIBITOR" "Escherichia coli" +"tazobactam" 2572 "Beta-lactamase 1" "Enzyme" "P10424" "penPC" "BLA1_BACCE" 6.524328812 "IC50" "DRUGMATRIX: beta-Lactamase enzyme inhibition (substrate: Nitrocefin)" "DRUG MATRIX" "=" "Bacillus cereus" +"tazobactam" 2572 "Beta-lactamase GES-13" "Enzyme" "D1MIX9" "blaGES-13" "D1MIX9_PSEAI" 7.22 "IC50" "Inhibition of Pseudomonas aeruginosa GES-13 beta lactamase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL404" "Pseudomonas aeruginosa" +"tazobactam" 2572 "Beta-lactamase" "Enzyme" "P05193" "ampC" "AMPC_CITFR" 6.03 "IC50" "Compound was tested for inhibition of Beta-lactamase from Citrobacter freundii 1982" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL404" "Citrobacter freundii" +"tazobactam" 2572 "Beta-lactamase" "Enzyme" "A4KCT8" "BlaGIL-1" "A4KCT8_9ENTR" 7.4 "IC50" "Inhibition of Citrobacter gillenii CIP 106783 Beta-lactamase GIL1 expressed in Escherichia coli DH10B" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL404" "Citrobacter gillenii" +"tazobactam" 2572 "Beta-lactamase" "Enzyme" "P05364" "ampC" "AMPC_ENTCL" 7 "IC50" "In vitro inhibitory activity against Beta-lactamase TEM-1 of class A enzyme" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL404" "Enterobacter cloacae" +"tazobactam" 2572 "Beta-lactamase" "Enzyme" "Q6W9J1" "blaTEM-1" "Q6W9J1_ENTCL" 7.22 "IC50" "Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL404" "Enterobacter cloacae" +"tazobactam" 2572 "Beta-lactamase" "Enzyme" "Q9EXV5" "blaUOE-1" "Q9EXV5_ECOLX" 8.7 "IC50" "Inhibition of Escherichia coli CTX-M-15" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL404" "Escherichia coli" +"tazobactam" 2572 "Carbapenem-hydrolizing beta-lactamase SFC-1" "Enzyme" "Q6JP75" "Q6JP75_SERFO" 5.16 "IC50" "Inhibition of Serratia fonticola UTAD54 SFC1 beta lactamase expressed in Escherichia coli BL21(DE3) by SDS-PAGE" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL404" "Serratia fonticola" +"tazobactam" 2572 "Beta-lactamase" "Enzyme" "Q6GWS8" "blaTEM-125" "Q6GWS8_ECOLX" 6.62 "IC50" "Inhibition of Escherichia coli DH5alpha beta-lactamase TEM-158" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL404" "Escherichia coli" +"tazobactam" 2572 "Carbepenem-hydrolyzing beta-lactamase KPC" "Enzyme" "Q9F663" "bla" "BLKPC_KLEPN" 4.13 "Ki" "Inhibition of Klebsiella pneumoniae 1534 beta-lactamase KPC-2 by competitive assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL404" "Klebsiella pneumoniae" +"tazobactam" 2572 "Beta-lactamase" "Enzyme" "Q2XPY6" "blaCTX-M-53" "Q2XPY6_SALET" 8.66 "IC50" "Inhibition of Salmonella enterica serotype Westhampton beta-lactamase CTX-M-53" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL404" "Salmonella enterica subsp. enterica serovar Westhampton" +"tazobactam" 2572 "Beta-lactamase" "Enzyme" "P24735" "ampC" "AMPC_PSEAE" 6.09 "IC50" "Compound was tested for inhibition of Beta-lactamase from Pseudomonas aeruginosa 18SH" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL404" "Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)" +"tazobactam" 2572 "Beta-lactamase" "Enzyme" "A0ZX81" "blaSHV-72" "A0ZX81_KLEPN" 7.1 "IC50" "Inhibition of Klebsiella pneumoniae Beta-Lactamase SHV-72" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL404" "Klebsiella pneumoniae" +"tazobactam" 2572 "IMI-1; IMI-1 carbapenemase" "Enzyme" "Q46991" "imiA" "Q46991_ENTCL" 7.52 "IC50" "In vitro inhibitory activity against Class A (Imi-1) beta-Lactamases" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL404" "Enterobacter cloacae" +"tazobactam" 2572 "Beta-lactamase" "Enzyme" "A2RP81" "blaPER-2" "A2RP81_CITFR" 7.02 "IC50" "Inhibition of Citrobacter freundii PER2 beta lactamase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL404" "Citrobacter freundii" +"tazobactam" 2572 "Beta-lactamase" "Enzyme" "B8R6A5" "penB1" "B8R6A5_9BURK" 6.3 "IC50" "Inhibition of Burkholderia cenocepacia 07-34 beta-lactamase PenB1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL404" "Burkholderia cenocepacia" +"tazobactam" 2572 "Beta-lactamase SHV-1" "Enzyme" "P0AD64" "bla" "BLA1_KLEPN" 6.96 "IC50" "Inhibition of Klebsiella pneumoniae Beta-Lactamase SHV-1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL404" "Klebsiella pneumoniae" +"tazobactam" 2572 "Beta-lactamase" "Enzyme" "P94958" "ampC" "AMPC_MORMO" 6.72 "IC50" "Compound was tested for inhibition of beta-Lactamases from Morganell morgani U1627" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL404" "Morganella morganii" +"tazobactam" 2572 "Beta-lactamase" "Enzyme" "A8RR46" "bcl1" "A8RR46_BACCS" 8.4 "IC50" "Inhibition of Bacillus clausii NR beta-lactamase BCL1 expressed in Escherichia coli BL21 (DE3)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL404" "Bacillus clausii" +"tazobactam" 2572 "Beta-lactamase" "Enzyme" "Q59401" "Q59401_ENTCL" 5.47 "IC50" "The compound was evaluated for inhibition against the GC1 extended spectrum Class C beta-lactamase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL404" "Enterobacter cloacae" +"tazobactam" 2572 "Beta-lactamase" "Enzyme" "A1E3K9" "blaSCO-1" "A1E3K9_ECOLX" 8 "IC50" "Inhibition of Escherichia coli beta-lactamase SCO1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL404" "Escherichia coli" +"tazobactam" 2572 "Beta-lactamase SHV-1" "Enzyme" "P0AD63" "bla" "BLA1_ECOLX" 6.65 "IC50" "Inhibition of Escherichia coli SHV1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL404" "Escherichia coli" +"tazobactam" 2572 "Beta-lactamase" "Enzyme" "P00808" "penP" "BLAC_BACLI" 6.29 "IC50" "Compound was tested for inhibition of Beta-lactamase from Bacillus licheniformis 749/C" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL404" "Bacillus licheniformis" +"tazobactam" 2572 "Class D beta-lactamase" "Unclassified" "Q50H31" "oxa-63" "Q50H31_BRAPL" 6.8 "IC50" "Inhibition of Brachyspira pilosicoli beta-lactamase OXA-63 expressed in Escherichia coli BL21 (DE3) assessed as reduction in nitrocefin hydrolysis by spectrophotometry relative to oxacillin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL404" "Brachyspira pilosicoli" +"tazobactam" 2572 "Beta-lactamase" "Enzyme" "P00811" "ampC" "AMPC_ECOLI" 7.8239 "IC50" "WOMBAT-PK" "=" "Escherichia coli (strain K12)" +"tazobactam" 2572 "Beta-lactamase" "Enzyme" "P00807" "blaZ" "BLAC_STAAU" 6.5272 "IC50" "WOMBAT-PK" "=" "Staphylococcus aureus" +"tegaserod" 2579 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=226" "ANTAGONIST" "Tclin" "Homo sapiens" +"tegaserod" 2579 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 5.6 "Ki" "Binding affinity to human recombinant 5HT3 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76370" "Tclin" "Homo sapiens" +"tegaserod" 2579 "5-hydroxytryptamine receptor 4" "GPCR" "Q13639" "HTR4" "5HT4R_HUMAN" 8.4 "Ki" "Binding affinity at 5HT4 receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76370" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76370" "PARTIAL AGONIST" "Tclin" "Homo sapiens" +"tegaserod" 2579 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 7.9 "EC50" "Induction of 5-HT4 receptor-mediated contraction in guinea pig longitudinal muscle myenteric plexus" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76370" "Cavia porcellus" +"tegaserod" 2579 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"tegaserod" 2579 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"teicoplanin aglycone" 2580 "Cathepsin L1" "Enzyme" "P07711" "CTSL" "CATL1_HUMAN" 5.78 "IC50" "Teicoplanin potently prevents the entrance of 2019-nCoV-Spike-pseudoviruses into the cytoplasm" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://dx.doi.org/10.1101/2020.02.05.935387" "http://dx.doi.org/10.1101/2020.02.05.935387" "INHIBITOR" "Tclin" "Homo sapiens" +"telithromycin" 2581 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.4 "IC50" "Inhibition of human ERG by patch-clamp assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1136" "Tclin" "Homo sapiens" +"telmisartan" 2583 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 5.22 "Ki" "Inhibition of ACE (unknown origin) assessed as 3-Hydroxybutyril-glycil-glycil-glycine conversion to 3-hydroxybutyric acid after 60 mins by WST assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1017" "Tclin" "Homo sapiens" +"telmisartan" 2583 "Type-1 angiotensin II receptor" "GPCR" "P30556" "AGTR1" "AGTR1_HUMAN" 9.31 "IC50" "Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1017" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1017" "ANTAGONIST" "Tclin" "Homo sapiens" +"telmisartan" 2583 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 5.82 "EC50" "Partial agonist activity at human PPARgamma-LBD/Gal4 DNA binding domain by transactivation assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1017" "Tclin" "Homo sapiens" +"telmisartan" 2583 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 4.75 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1017" "Tchem" "Homo sapiens" +"telmisartan" 2583 "Type-1B angiotensin II receptor" "GPCR" "P29089" "Agtr1b" "AGTRB_RAT" 8.52 "IC50" "Inhibition of specific binding of [125I]angiotensin-II to angiotensin 1 receptor in rat lung membrane preparation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1017" "Rattus norvegicus" +"telmisartan" 2583 "Type-2 angiotensin II receptor" "GPCR" "P50052" "AGTR2" "AGTR2_HUMAN" 9.48 "IC50" "Displacement of [125I]Sar1 Ile8-Ang 2 from angiotensin 2 AT2 receptor after 180 mins by gamma counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1017" "Tchem" "Homo sapiens" +"telmisartan" 2583 "Type-1A angiotensin II receptor" "GPCR" "P25095" "Agtr1" "AGTRA_RAT" 9.64 "Ki" "Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1017" "Rattus norvegicus" +"telmisartan" 2583 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 5.48999977111816 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1017" "Tclin" "Homo sapiens" +"temazepam" 2585 "Nuclear receptor subfamily 1 group I member 3" "Nuclear hormone receptor" "Q14994" "NR1I3" "NR1I3_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"temazepam" 2585 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL967" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"temocapril" 2586 "Angiotensin-converting enzyme" "Enzyme" "P12822" "ACE" "ACE_RABIT" 8.44369792938232 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/2851680" "INHIBITOR" "Oryctolagus cuniculus" +"temocapril" 2586 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/8427943" "INHIBITOR" "Tclin" "Homo sapiens" +"temozolomide" 2589 "DNA" "DNA" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/021029s028lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/021029s028lbl.pdf" "OTHER" +"teniposide" 2590 "DNA topoisomerase 2-alpha" "Enzyme" "P11388" "TOP2A" "TOP2A_HUMAN" "Mechanism of Action; CHEMBL2094255; PROTEIN FAMILY" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL452231" "INHIBITOR" "Tclin" "Homo sapiens" +"teniposide" 2590 "Canalicular multispecific organic anion transporter 2" "Transporter" "O15438" "ABCC3" "MRP3_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"teniposide" 2590 "Multidrug resistance-associated protein 6" "Transporter" "O95255" "ABCC6" "MRP6_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"teniposide" 2590 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"teniposide" 2590 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"tenofovir" 2592 "Reverse transcriptase" "Enzyme" "Q9WKE8" "reverse transcriptas" "Q9WKE8_9HIV1" 6.42 "IC50" "Inhibition of HIV1 reverse transcriptase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL483" "Human immunodeficiency virus 1" +"tenofovir disoproxil" 2593 "Gag-Pol polyprotein" "Polyprotein" "P03369" "gag-pol" "POL_HV1A2" "WOMBAT-PK" "Human immunodeficiency virus type 1 group M subtype B (isolate ARV2/SF2)" +"tenofovir disoproxil" 2593 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" "Mechanism of Action; CHEMBL247; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1486" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1486" "INHIBITOR" "Human immunodeficiency virus 1" +"tenoxicam" 2595 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.943095149 "IC50" "DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tenoxicam" 2595 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"terbinafine" 2597 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.669870438 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terbinafine" 2597 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.628193541 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terbinafine" 2597 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.387703674 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terbinafine" 2597 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.698970004 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terbinafine" 2597 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 7.661543506 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"terbinafine" 2597 "Squalene monooxygenase" "Unclassified" "P52020" "Sqle" "ERG1_RAT" 4.03 "IC50" "Inhibitory activity against rat liver Squalene Epoxidase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL822" "Rattus norvegicus" +"terbinafine" 2597 "Squalene monooxygenase" "Enzyme" "Q14534" "SQLE" "ERG1_HUMAN" 7.52 "Ki" "Inhibitory activity against Candida albicans Squalene Epoxidase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL822" "Tchem" "Homo sapiens" +"terbinafine" 2597 "Squalene epoxidase" "Enzyme" "Q4JEY0" "Q4JEY0_TRIRU" "Mechanism of Action; CHEMBL2364679; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL822" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL822" "INHIBITOR" "Trichophyton rubrum" +"terbutaline" 2598 "Beta-2 adrenergic receptor" "GPCR" "Q28044" "ADRB2" "ADRB2_BOVIN" 5.4 "Kd" "Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1760" "Bos taurus" +"terbutaline" 2598 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.6 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1760" "AGONIST" "Tclin" "Homo sapiens" +"terconazole" 2599 "Lanosterol 14-alpha demethylase" "Enzyme" "P10613" "ERG11" "CP51_CANAL" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1306" "INHIBITOR" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"terconazole" 2599 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 4.894830572 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terconazole" 2599 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.432973634 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terconazole" 2599 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.669586227 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terconazole" 2599 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.215668052 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terconazole" 2599 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 4.59890978 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terconazole" 2599 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.631527162 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terconazole" 2599 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.438183336 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terconazole" 2599 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.904481958 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terconazole" 2599 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.795880017 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terconazole" 2599 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.861697302 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terconazole" 2599 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.338187314 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terconazole" 2599 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.511308302 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terconazole" 2599 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.71828503 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terconazole" 2599 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.503901008 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terconazole" 2599 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.214670165 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terconazole" 2599 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.36181036 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terconazole" 2599 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.269702338 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terconazole" 2599 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 4.666089457 "IC50" "DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terconazole" 2599 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 4.962732905 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terconazole" 2599 "Sodium/nucleoside cotransporter 1" "Transporter" "O00337" "SLC28A1" "S28A1_HUMAN" 5.373044049 "Ki" "DRUGMATRIX: Sodium/nucleoside co-transporter radioligand binding (ligand: nitrobenzylthioinosine)" "DRUG MATRIX" "=" "Tbio" "Homo sapiens" +"terconazole" 2599 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 5.608535588 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808)" "DRUG MATRIX" "=" "Cavia porcellus" +"terconazole" 2599 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.611543547 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" +"terconazole" 2599 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 5.101549081 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"terconazole" 2599 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 4.388680381 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"terconazole" 2599 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.709965389 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"terconazole" 2599 "Lanosterol 14-alpha demethylase" "Enzyme" "Q16850" "CYP51A1" "CP51A_HUMAN" 5.52 "IC50" "Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1306" "Tchem" "Homo sapiens" +"terconazole" 2599 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 4.88 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1306" "Rattus norvegicus" +"terfenadine" 2600 "Potassium voltage-gated channel subfamily H member 1" "Ion channel" "O95259" "KCNH1" "KCNH1_HUMAN" 7.8 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2608" "BLOCKER" "Tclin" "Homo sapiens" +"terfenadine" 2600 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.873868593 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terfenadine" 2600 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.68697689 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terfenadine" 2600 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.718512112 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terfenadine" 2600 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.13667714 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terfenadine" 2600 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.522878745 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terfenadine" 2600 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.190440285 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terfenadine" 2600 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.217527376 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"terfenadine" 2600 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.2915791 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terfenadine" 2600 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.263603498 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terfenadine" 2600 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.692503962 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terfenadine" 2600 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.447818661 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terfenadine" 2600 "C-C chemokine receptor type 5" "GPCR" "P51681" "CCR5" "CCR5_HUMAN" 6.069560405 "Ki" "DRUGMATRIX: Chemokine CCR5 radioligand binding (ligand: [125I] MIP-1alpha)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terfenadine" 2600 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.213035741 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"terfenadine" 2600 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 6.049635146 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"terfenadine" 2600 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 5.733768303 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"terfenadine" 2600 "Heat shock protein HSP 90-alpha" "Cytosolic other" "P07900" "HSP90AA1" "HS90A_HUMAN" 5.46 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"terfenadine" 2600 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.699 "Ki" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2608" "ANTAGONIST" "Tclin" "Homo sapiens" +"terfenadine" 2600 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.8539 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"terfenadine" 2600 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 7.2518 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"terfenadine" 2600 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 7.45 "Kd" "Dissociation constant was determined against H1 receptor of guinea pig lung membranes using radioligand binding assays." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17157" "Cavia porcellus" +"terfenadine" 2600 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.54 "IC50" "Compound is evaluated for in vitro receptor binding affinity against Muscarinic acetylcholine receptor M1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17157" "Tclin" "Homo sapiens" +"terfenadine" 2600 "Transcriptional activator protein luxR" "Unclassified" "P12746" "luxR" "LUXR_ALIFS" 4.04 "IC50" "Inhibition of LuxR-dependent quorum sensing in Vibrio fischeri assessed as reduction of 3-oxo-C6-HSL-induced bioluminescence intensity" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17157" "Aliivibrio fischeri" +"terfenadine" 2600 "Cytochrome P450 2J2" "Enzyme" "P51589" "CYP2J2" "CP2J2_HUMAN" 5.09 "IC50" "Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17157" "Tchem" "Homo sapiens" +"terfenadine" 2600 "Adrenergic receptor alpha-1" "GPCR" "P25100|P35348|P35368" "ADRA1A|ADRA1B|ADRA1D" "ADA1A_HUMAN|ADA1B_HUMAN|ADA1D_HUMAN" 5.63 "IC50" "Compound is evaluated for in vitro receptor binding affinity against Alpha-1 adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17157" "Tclin|Tclin|Tclin" "Homo sapiens" +"terguride" 2601 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.41 "Ki" "PDSP" "Tclin" "Homo sapiens" +"terguride" 2601 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 9.5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=56" "ANTAGONIST" "Tclin" "Homo sapiens" +"terguride" 2601 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 9.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=56" "ANTAGONIST" "Tclin" "Homo sapiens" +"terguride" 2601 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 9.1 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=56" "ANTAGONIST" "Tclin" "Homo sapiens" +"terguride" 2601 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.1 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=56" "AGONIST" "Tclin" "Homo sapiens" +"terguride" 2601 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=56" "AGONIST" "Tclin" "Homo sapiens" +"terguride" 2601 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=56" "ANTAGONIST" "Tclin" "Homo sapiens" +"terguride" 2601 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=56" "AGONIST" "Tclin" "Homo sapiens" +"terguride" 2601 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.3 "Ki" "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=56" "http://www.ncbi.nlm.nih.gov/pubmed/21762037" "AGONIST" "Tclin" "Homo sapiens" +"terguride" 2601 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.2 "Ki" "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=56" "http://www.ncbi.nlm.nih.gov/pubmed/21762037" "ANTAGONIST" "Tclin" "Homo sapiens" +"terguride" 2601 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.1 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=56" "ANTAGONIST" "Tchem" "Homo sapiens" +"terguride" 2601 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 7.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=56" "AGONIST" "Tclin" "Homo sapiens" +"terguride" 2601 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=56" "ANTAGONIST" "Tclin" "Homo sapiens" +"terguride" 2601 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=56" "AGONIST" "Tclin" "Homo sapiens" +"terguride" 2601 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 7.6 "IC50" "In vitro binding activity against 5-hydroxytryptamine 1A receptor from homogenized rat brain, using [3H]-8-OH-DPAT as the radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL73151" "Rattus norvegicus" +"terguride" 2601 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 7.16 "IC50" "In vitro binding activity against Dopamine receptor D1 from homogenized rat brain, using [3H]SCH-23390 as the radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL73151" "Rattus norvegicus" +"terguride" 2601 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 8.4 "IC50" "In vitro binding activity against dopamine receptor D2 from homogenized rat brain, using [3H]spiperone as the radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL73151" "Rattus norvegicus" +"terguride" 2601 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 7.7 "Ki" "PDSP" "Tclin" "Homo sapiens" +"terguride" 2601 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 7.63 "Ki" "PDSP" "Tchem" "Homo sapiens" +"terguride" 2601 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.55 "Ki" "PDSP" "Tclin" "Homo sapiens" +"terguride" 2601 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.46 "Ki" "PDSP" "Tclin" "Homo sapiens" +"terguride" 2601 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.18 "Ki" "PDSP" "Tclin" "Homo sapiens" +"terodiline" 2603 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.3 "IC50" "Inhibitory concentration against IKr potassium channel" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL363295" "Tclin" "Homo sapiens" +"tertatolol" 2605 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.08696269989014 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"tertatolol" 2605 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 8.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=571" "ANTAGONIST" "Tclin" "Homo sapiens" +"tertatolol" 2605 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 8.11 "Ki" "The compound was evaluated for binding affinity against 5-hydroxytryptamine 1A receptor in rat hippocampal membranes using [3H]8-OH-DPAT as radioligand in the presence of 1 mM of MnCl2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL434200" "Rattus norvegicus" +"tertatolol" 2605 "Beta-3 adrenergic receptor" "Unclassified" "P25962" "Adrb3" "ADRB3_MOUSE" 7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=571" "ANTAGONIST" "Mus musculus" +"tertatolol" 2605 "Beta-3 adrenergic receptor" "Unclassified" "P26255" "Adrb3" "ADRB3_RAT" 7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=571" "ANTAGONIST" "Rattus norvegicus" +"testolactone" 2606 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 4.46 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7303" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1571" "INHIBITOR" "Tclin" "Homo sapiens" +"testosterone" 2607 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 9.2 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL386630" "AGONIST" "Tclin" "Homo sapiens" +"testosterone" 2607 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 5.836540448 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"testosterone" 2607 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 6.598599459 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"testosterone" 2607 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 6.22 "Ki" "Inhibition of human placental aromatase Cytochrome P450 19A1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL386630" "Tclin" "Homo sapiens" +"testosterone" 2607 "Steroid 5-alpha-reductase" "Enzyme" "P24008|P31214" "Srd5a1|Srd5a2" "S5A1_RAT|S5A2_RAT" 5.72 "IC50" "In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL386630" "Rattus norvegicus" +"testosterone" 2607 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 5.92 "Ki" "Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL386630" "Tclin" "Homo sapiens" +"testosterone" 2607 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 9.2 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL386630" "Tchem" "Homo sapiens" +"testosterone" 2607 "Lanosterol 14-alpha demethylase" "Enzyme" "Q16850" "CYP51A1" "CP51A_HUMAN" 4.3 "IC50" "Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL386630" "Tchem" "Homo sapiens" +"testosterone" 2607 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 8.85 "Ki" "Inhibitory constant against rat prostate cytosol androgen receptor using [3H]mibolerone" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL386630" "Rattus norvegicus" +"testosterone" 2607 "Constitutive androstane receptor" "Unclassified" "O35627" "Nr1i3" "NR1I3_MOUSE" 4.52 "IC50" "Inhibitory concentration against mammalian m-constitutive androstane receptor (mCAR) activity" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL386630" "Mus musculus" +"testosterone" 2607 "C-8 sterol isomerase" "Enzyme" "P32352" "ERG2" "ERG2_YEAST" 5.11 "Ki" "Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL386630" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"testosterone" 2607 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 6.72 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL386630" "Tbio" "Homo sapiens" +"testosterone undecanoate" 2608 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" "Mechanism of Action; CHEMBL1871; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2107067" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2107067" "AGONIST" "Tclin" "Homo sapiens" +"tetrabenazine" 2609 "Synaptic vesicular amine transporter" "Transporter" "Q05940" "SLC18A2" "VMAT2_HUMAN" 7 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL117785" "INHIBITOR" "Tclin" "Homo sapiens" +"tetrabenazine" 2609 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.07 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL117785" "Tclin|Tclin|Tclin" "Homo sapiens" +"tetrabenazine" 2609 "Synaptic vesicular amine transporter" "Transporter" "Q01827" "Slc18a2" "VMAT2_RAT" 8.12 "Ki" "Displacement of [3H]DHTBZ from Sprague-Dawley rat striatum VMAT2 after 1 hr by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL117785" "Rattus norvegicus" +"tetrabenazine" 2609 "Synaptic vesicular amine transporter" "Transporter" "Q27963" "SLC18A2" "VMAT2_BOVIN" 8.4 "Ki" "Inhibition of dopamine uptake at VMAT in bovine chromaffin granule ghosts" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL117785" "Bos taurus" +"tetrabenazine" 2609 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 5.8861 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"tetrabenazine" 2609 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.0177 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"tetrabenazine" 2609 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.6778 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"tetrabenazine" 2609 "Chromaffin granule amine transporter" "Transporter" "P54219" "SLC18A1" "VMAT1_HUMAN" 4.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4834" "INHIBITOR" "Tchem" "Homo sapiens" +"tetracaine" 2610 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.153044675 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tetracaine" 2610 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.010550182 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tetracaine" 2610 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.76649624 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tetracaine" 2610 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 6.498940738 "IC50" "DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tetracaine" 2610 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P04774|P04775|P08104" "Scn1a|Scn2a|Scn3a" "SCN1A_RAT|SCN2A_RAT|SCN3A_RAT" 5.22 "IC50" "Inhibition of [3H]batrachotoxin binding to rat brain neuronal membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL698" "Rattus norvegicus" +"tetracaine" 2610 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" 6.28 "IC50" "Inhibition of human NaV1.5 alpha subunit expressed in CHOK1 cells at -90 mV holding potential by patch clamp electrophysiological assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL698" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL698" "BLOCKER" "Tclin" "Homo sapiens" +"tetracaine" 2610 "Sodium channel protein type 9 subunit alpha" "Ion channel" "Q15858" "SCN9A" "SCN9A_HUMAN" 6.3 "Ki" "Displacement of [3H]BTX from human Nav1.7 expressed in human HEK293 cells after 1 hr by MicroBeta analyzer" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL698" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL698" "BLOCKER" "Tclin" "Homo sapiens" +"tetracaine" 2610 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.47 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL698" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL698" "BLOCKER" "Tclin|Tclin|Tclin" "Homo sapiens" +"tetracaine" 2610 "Sodium channel protein type 2 subunit alpha" "Ion channel" "Q99250" "SCN2A" "SCN2A_HUMAN" 5.96 "IC50" "Inhibition of human NaV1.2 alpha subunit expressed in CHOK1 cells at -65 mV holding potential by patch clamp electrophysiological assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL698" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL698" "BLOCKER" "Tclin" "Homo sapiens" +"tetracaine" 2610 "cGMP-gated cation channel alpha-1" "Ion channel" "Q00194" "CNGA1" "CNGA1_BOVIN" 5.17 "Kd" "Apparent dissociation constant against Cyclic nucleotide gated channel alpha 1 at +40 mV" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL698" "Bos taurus" +"tetracycline" 2611 "30S ribosomal protein S4" "Ribosomal protein" "P0A7V8" "rpsD" "RS4_ECOLI" "WOMBAT-PK" "Escherichia coli (strain K12)" +"tetracycline" 2611 "30S ribosomal protein S9" "Ribosomal protein" "P0A7X3" "rpsI" "RS9_ECOLI" "WOMBAT-PK" "Escherichia coli (strain K12)" +"sapropterin" 2612 "Phenylalanine-4-hydroxylase" "Enzyme" "P00439" "PAH" "PH4H_HUMAN" 5.4 "Ki" "Binding affinity for human PAH." "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=5276" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201774" "ACTIVATOR" "Tclin" "Homo sapiens" +"sapropterin" 2612 "Nitric oxide synthase, brain" "Enzyme" "P29475" "NOS1" "NOS1_HUMAN" 5.95 "Kd" "Activity of tetrahydrobiopterin free nNOS" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201774" "Tchem" "Homo sapiens" +"tetroxoprim" 2615 "Dihydrofolate reductase" "Enzyme" "P0ABQ4" "folA" "DYR_ECOLI" 8.35 "Ki" "WOMBAT-PK" "=" "Escherichia coli (strain K12)" +"tetroxoprim" 2615 "Dihydrofolate reductase" "Enzyme" "P00381" "folA" "DYR_LACCA" 6.26 "Ki" "Inhibitory activity against Lactobacillus casei dihydrofolate reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL32039" "Lactobacillus casei" +"tetroxoprim" 2615 "Dihydrofolate reductase" "Unclassified" "B0BL08" "dfrA17" "B0BL08_ECOLX" 7.74 "IC50" "Inhibitory activity against Dihydrofolate reductase of Escherichia coli" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL32039" "Escherichia coli" +"tetroxoprim" 2615 "Dihydrofolate reductase" "Unclassified" "Q8Z9J9" "folA" "Q8Z9J9_SALTI" 8.35 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL32039" "Salmonella typhi" +"thalidomide" 2616 "Protein cereblon" "Cytosolic other" "Q96SW2" "CRBN" "CRBN_HUMAN" 6.39297389984131 "EC50" "competitive titration of thalidomide with human DDB1-human CRBN (50 nM) and Cy5-thalidomide (20 nM)" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/25043012" "http://www.ncbi.nlm.nih.gov/pubmed/26131937" "MODULATOR" "Tclin" "Homo sapiens" +"thalidomide" 2616 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 6.3 "IC50" "Inhibitory activity (RA2) against Prostaglandin G/H synthase 2 was calculated relative to aspirin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL468" "Ovis aries" +"thalidomide" 2616 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 6.43 "IC50" "Inhibitory activity (RA1) against Prostaglandin G/H synthase 1 was calculated relative to aspirin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL468" "Ovis aries" +"thalidomide" 2616 "Tumor necrosis factor" "Cytokine" "P01375" "TNF" "TNFA_HUMAN" 8 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"thalidomide" 2616 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 6.4318 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"thalidomide" 2616 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.301 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"theophylline" 2620 "cAMP-specific 3',5'-cyclic phosphodiesterase 4A" "Enzyme" "P27815" "PDE4A" "PDE4A_HUMAN" 4.11 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL190" "INHIBITOR" "Tclin" "Homo sapiens" +"theophylline" 2620 "cGMP-inhibited 3',5'-cyclic phosphodiesterase A" "Enzyme" "Q14432" "PDE3A" "PDE3A_HUMAN" 3.85 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL190" "INHIBITOR" "Tclin" "Homo sapiens" +"theophylline" 2620 "Adenosine receptor A2b" "GPCR" "P29275" "ADORA2B" "AA2BR_HUMAN" 5.57 "Ki" "Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cell membrane" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL190" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL190" "ANTAGONIST" "Tclin" "Homo sapiens" +"theophylline" 2620 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform" "Kinase" "O00329" "PIK3CD" "PK3CD_HUMAN" 4.12 "IC50" "Inhibition of PI3Kdelta (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL190" "Tclin" "Homo sapiens" +"theophylline" 2620 "Adenosine receptor A1" "GPCR" "P28190" "ADORA1" "AA1R_BOVIN" 5.42 "Ki" "Binding affinity towards adenosine A1 receptor of bovine brain membrane using [3H]-CHA at 20 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL190" "Bos taurus" +"theophylline" 2620 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 7.85 "Ki" "Binding affinity for adenosine A3 receptor by displacement of specific binding of [125I]AB-MECA in membranes from CHO-A3 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL190" "ANTAGONIST" "Tchem" "Homo sapiens" +"theophylline" 2620 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 6.15 "Ki" "Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL190" "Rattus norvegicus" +"theophylline" 2620 "Adenosine A2a receptor" "Unclassified" "P46616" "ADORA2A" "AA2AR_CAVPO" 4.89 "Ki" "Antagonist binding of N6-cyclohexyl-[3H]-adenosine to guinea pig brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL190" "Cavia porcellus" +"theophylline" 2620 "Adenosine receptor A2a" "GPCR" "P30543" "Adora2a" "AA2AR_RAT" 5.17 "Ki" "Binding affinity at rat Adenosine A2A receptor by [3H]-CGS- 21680 displacement." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL190" "Rattus norvegicus" +"theophylline" 2620 "Adenosine A2 receptor" "GPCR" "P29276|P30543" "Adora2a|Adora2b" "AA2AR_RAT|AA2BR_RAT" 5.88 "Ki" "Binding of Adenosine A2 receptor in whole rat brain membrane using [3H]CHA as a Radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL190" "Rattus norvegicus" +"theophylline" 2620 "Heart phosphodiesterase" "Enzyme" "E1BN64|P14100|Q01061" "PDE1A|PDE1B|PDE3B" "E1BN64_BOVIN|PDE1A_BOVIN|PDE1B_BOVIN" 4.04 "IC50" "Inhibition of bovine heart phosphodiesterase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL190" "Bos taurus" +"theophylline" 2620 "Adenosine receptor A3" "GPCR" "P28647" "Adora3" "AA3R_RAT" 4.07 "Ki" "Binding affinity to rat adenosine A3 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL190" "Rattus norvegicus" +"theophylline" 2620 "Uncharacterized protein" "Enzyme" "E1BN64" "PDE3B" "E1BN64_BOVIN" 4.11 "Ki" "Inhibition of bovine heart phosphodiesterase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL190" "Bos taurus" +"theophylline" 2620 "Adenosine A2b receptor" "GPCR" "P29276" "Adora2b" "AA2BR_RAT" 4.82 "Ki" "Inhibition of [125I]-APOBX binding to rat Adenosine A2B receptor expressed in HEK cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL190" "Rattus norvegicus" +"theophylline" 2620 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 9.22 "Ki" "Binding affinity for adenosine A2a receptor by using as [3H]ZM-241385 radioligand in membranes from HEK-A2A cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL190" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL190" "ANTAGONIST" "Tclin" "Homo sapiens" +"theophylline" 2620 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 9.22 "Ki" "Binding affinity for adenosine A1 receptor by using as [3H]CPX iradioligand n membranes from Chinese hamster ovary cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL190" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL190" "ANTAGONIST" "Tclin" "Homo sapiens" +"theophylline" 2620 "Alkaline phosphatase, tissue-nonspecific isozyme" "Enzyme" "P05186" "ALPL" "PPBT_HUMAN" 4.09 "Ki" "Inhibition of TNSALP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL190" "Tchem" "Homo sapiens" +"theophylline" 2620 "Adenosine receptor A1" "GPCR" "P47745" "ADORA1" "AA1R_CAVPO" 5.01 "Ki" "Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]CPX." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL190" "Cavia porcellus" +"theophylline" 2620 "Adenosine receptor" "GPCR" "P25099|P28647|P29276|P30543" "Adora1|Adora2a|Adora2b|Adora3" "AA1R_RAT|AA2AR_RAT|AA2BR_RAT|AA3R_RAT" 4.7 "Ki" "Antagonist binding of N6-cyclohexyl-[3H]-adenosine to rat testes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL190" "Rattus norvegicus" +"theophylline" 2620 "Adenosine receptor A2b" "Unclassified" "Q60614" "Adora2b" "AA2BR_MOUSE" 5.25 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=413" "ANTAGONIST" "Mus musculus" +"thiabendazole" 2621 "Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial" "Enzyme" "Q09508" "sdha-1" "SDHA_CAEEL" "WOMBAT-PK" "Caenorhabditis elegans" +"thiabendazole" 2621 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 6.096910013 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"thiabendazole" 2621 "Methionine aminopeptidase 2" "Enzyme" "P50579" "METAP2" "MAP2_HUMAN" 4.35 "IC50" "Inhibition of human MetAP2 expressed in baculovirus infected Sf9 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL625" "Tchem" "Homo sapiens" +"thiabendazole" 2621 "Methionine aminopeptidase 1" "Enzyme" "P53582" "METAP1" "MAP11_HUMAN" 5.47 "EC50" "Inhibition of human methionine aminopeptidase 1 in presence of Co2+" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL625" "Tchem" "Homo sapiens" +"thiabendazole" 2621 "Peptidyl-prolyl cis-trans isomerase FKBP1A" "Enzyme" "P62942" "FKBP1A" "FKB1A_HUMAN" 4.22 "Kd" "Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL625" "Tclin" "Homo sapiens" +"thiabendazole" 2621 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" 4.84 "IC50" "HIV-1 reverse transcriptase (RT) activity using Poly (rC)/oligo (dG) as template/primer and [3H]dGTP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL625" "Human immunodeficiency virus 1" +"thiabendazole" 2621 "Methionine aminopeptidase" "Enzyme" "P0AE18" "map" "MAP1_ECOLI" 6.33 "IC50" "Inhibition of Co2+ loaded MetAP expressed in Escherichia coli" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL625" "Escherichia coli (strain K12)" +"thiabendazole" 2621 "Tubulin" "Structural" "C4PKY4|C4PKZ2|C4PKZ6" "C4PKY4_ECHGR|C4PKZ2_ECHGR|C4PKZ6_ECHGR" "Mechanism of Action; CHEMBL2364704; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL625" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL625" "INHIBITOR" "Echinococcus granulosus" +"thiabendazole" 2621 "Tubulin" "Structural" "F1L005|F1L4P8|F1L5G6|F1L7U3|F1L7Y0|F1L8A5|F1LCS0" "F1L005_ASCSU|F1L4P8_ASCSU|F1L5G6_ASCSU|F1L7U3_ASCSU|F1L7Y0_ASCSU|F1L8A5_ASCSU|F1LCS0_ASCSU" "Mechanism of Action; CHEMBL2364705; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL625" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL625" "INHIBITOR" "Ascaris suum" +"thiamphenicol" 2624 "50S ribosomal protein L10" "Ribosomal protein" "P15825" "rpl10" "RL10_HALMA" "WOMBAT-PK" "Haloarcula marismortui (strain ATCC 43049 / DSM 3752 / JCM 8966 / VKM B-1809)" +"thiamphenicol" 2624 "Streptokinase A" "Enzyme" "P10520" "ska" "STRP_STRP1" 5.77 "EC50" "WOMBAT-PK" "=" "Streptococcus pyogenes serotype M1" +"thiamphenicol" 2624 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 5.12 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"thiamylal" 2626 "GABA-A receptor; anion channel" "Ion channel" "O00591|O14764|P14867|P18505|P18507|P28472|P31644|P34903|P47869|P47870|P48169|P78334|Q16445|Q8N1C3|Q99928|Q9UN88" "GABRA1|GABRA2|GABRA3|GABRA4|GABRA5|GABRA6|GABRB1|GABRB2|GABRB3|GABRD|GABRE|GABRG1|GABRG2|GABRG3|GABRP|GABRQ" "GBRA1_HUMAN|GBRA2_HUMAN|GBRA3_HUMAN|GBRA4_HUMAN|GBRA5_HUMAN|GBRA6_HUMAN|GBRB1_HUMAN|GBRB2_HUMAN|GBRB3_HUMAN|GBRD_HUMAN|GBRE_HUMAN|GBRG1_HUMAN|GBRG2_HUMAN|GBRG3_HUMAN|GBRP_HUMAN|GBRT_HUMAN" "Mechanism of Action; CHEMBL2093872; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL440" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL440" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"thiethylperazine" 2630 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.699 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1378" "ANTAGONIST" "Tclin" "Homo sapiens" +"thiethylperazine" 2630 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.1549 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"thiethylperazine" 2630 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"thiethylperazine" 2630 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"thiethylperazine" 2630 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"thiethylperazine" 2630 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"thiethylperazine" 2630 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"thiethylperazine" 2630 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.6021 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"thiethylperazine" 2630 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.699 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"thiethylperazine" 2630 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.699 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"thiethylperazine" 2630 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"thiethylperazine" 2630 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"thiethylperazine" 2630 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"thiethylperazine" 2630 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.1549 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"thiethylperazine" 2630 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.301 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"thiethylperazine" 2630 "Pleiotropic ABC efflux transporter of multiple drugs" "Transporter" "P33302" "PDR5" "PDR5_YEAST" 5.64 "IC50" "Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1378" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"thiethylperazine" 2630 "FAD-linked sulfhydryl oxidase ALR" "Enzyme" "P55789" "GFER" "ALR_HUMAN" 5.96000003814697 "AC50" "PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1378" "Tchem" "Homo sapiens" +"thioguanine" 2632 "Inosine-5'-monophosphate dehydrogenase 2" "Enzyme" "P12268" "IMPDH2" "IMDH2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL727" "INHIBITOR" "Tclin" "Homo sapiens" +"thioguanine" 2632 "Inosine-5'-monophosphate dehydrogenase 1" "Enzyme" "P20839" "IMPDH1" "IMDH1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL727" "INHIBITOR" "Tclin" "Homo sapiens" +"thioguanine" 2632 "Xanthine dehydrogenase/oxidase" "Enzyme" "P47989" "XDH" "XDH_HUMAN" 4.03 "IC50" "Inhibition of human xanthine oxidase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL727" "Tclin" "Homo sapiens" +"thioguanine" 2632 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 6.221125528 "IC50" "DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"thioguanine" 2632 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 4.911580383 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"thioguanine" 2632 "Mitogen-activated protein kinase 3" "Kinase" "P27361" "MAPK3" "MK03_HUMAN" 5.258375742 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"thioguanine" 2632 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 4.791585519 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" +"thioguanine" 2632 "Hypoxanthine-guanine phosphoribosyltransferase" "Enzyme" "P00492" "HPRT1" "HPRT_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"thioguanine" 2632 "Multidrug resistance-associated protein 4" "Transporter" "O15439" "ABCC4" "MRP4_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"thioguanine" 2632 "Multidrug resistance-associated protein 5" "Transporter" "O15440" "ABCC5" "MRP5_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"thiopental" 2633 "GABA-A receptor; anion channel" "Ion channel" "O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14" "Gabra1|Gabra2|Gabra3|Gabra4|Gabra5|Gabra6|Gabrb1|Gabrb2|Gabrb3|Gabrd|Gabre|Gabrg1|Gabrg2|Gabrg3|Gabrp|Gabrq" "GBRA1_RAT|GBRA2_RAT|GBRA3_RAT|GBRA4_RAT|GBRA5_RAT|GBRA6_RAT|GBRB1_RAT|GBRB2_RAT|GBRB3_RAT|GBRD_RAT|GBRE_RAT|GBRG1_RAT|GBRG2_RAT|GBRG3_RAT|GBRP_RAT|Q91ZM7_RAT" 4.53 "IC50" "The concentration required to inhibit 50% of binding of [35S]TBPS to Gamma-aminobutyric acid A receptor to rat whole brain membranes." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL441" "Rattus norvegicus" +"thiopental" 2633 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL441" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"thiopental" 2633 "Potassium voltage-gated channel subfamily C member 4" "Unclassified" "Q63734" "Kcnc4" "KCNC4_RAT" 4 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2579" "GATING INHIBITOR" "Rattus norvegicus" +"thioproperazine" 2635 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.92081832885742 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thioproperazine" 2635 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.34678745269775 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thioridazine" 2637 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.3 "IC50" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"thioridazine" 2637 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 5.619788646698 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"thioridazine" 2637 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.77365779876709 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thioridazine" 2637 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 6.43889856338501 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"thioridazine" 2637 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 8.61978912353516 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thioridazine" 2637 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.89997434616089 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thioridazine" 2637 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 6.71219825744629 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"thioridazine" 2637 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.9625735282898 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thioridazine" 2637 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 6.23732137680054 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thioridazine" 2637 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.86646127700806 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thioridazine" 2637 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.97881078720093 "Ki" "PDSP" "=" "ANTAGONIST" "Tchem" "Homo sapiens" +"thioridazine" 2637 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.59522008895874 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thioridazine" 2637 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.12551879882813 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thioridazine" 2637 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.46641874313355 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thioridazine" 2637 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 8.56863594055176 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thioridazine" 2637 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.87240982055664 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thioridazine" 2637 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.88605642318726 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thioridazine" 2637 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.04575729370117 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thioridazine" 2637 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.85387182235718 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thioridazine" 2637 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=100" "ANTAGONIST" "Tclin" "Homo sapiens" +"thioridazine" 2637 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=100" "ANTAGONIST" "Tchem" "Homo sapiens" +"thioridazine" 2637 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=100" "ANTAGONIST" "Tclin" "Homo sapiens" +"thioridazine" 2637 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.1 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=100" "ANTAGONIST" "Tclin" "Homo sapiens" +"thioridazine" 2637 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 5.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=100" "ANTAGONIST" "Tchem" "Homo sapiens" +"thioridazine" 2637 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.815308569 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"thioridazine" 2637 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.813043665 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"thioridazine" 2637 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.086186148 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"thioridazine" 2637 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.751389255 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"thioridazine" 2637 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.68613278 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"thioridazine" 2637 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 6.001740662 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"thioridazine" 2637 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 5.030011309 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"thioridazine" 2637 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.530619864 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"thioridazine" 2637 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 5.195329104 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"thioridazine" 2637 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.296708622 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"thioridazine" 2637 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.585026652 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"thioridazine" 2637 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.283996656 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"thioridazine" 2637 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8 "EC50" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"thioridazine" 2637 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.4 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL479" "ANTAGONIST" "Tclin" "Homo sapiens" +"thioridazine" 2637 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 6.7959 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"thioridazine" 2637 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.9 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"thioridazine" 2637 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 7 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"thioridazine" 2637 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.1 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"thioridazine" 2637 "Nuclear receptor subfamily 1 group I member 3" "Nuclear hormone receptor" "Q14994" "NR1I3" "NR1I3_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"thioridazine" 2637 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm2|Chrm3|Chrm4|Chrm5" "ACM1_RAT|ACM2_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT" 8.7 "IC50" "Displacement of [3H]quinuclidinyl benzilate (QNB) from Muscarinic acetylcholine receptor in rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL479" "Rattus norvegicus" +"thioridazine" 2637 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.19 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL479" "Tclin|Tclin|Tclin" "Homo sapiens" +"thioridazine" 2637 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2a|Htr2b|Htr2c" "5HT2A_RAT|5HT2B_RAT|5HT2C_RAT" 7.74 "IC50" "Binding affinity towards 5-hydroxytryptamine 2 receptor was measured using radioligand ([3H]spiperone) binding assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL479" "Rattus norvegicus" +"thioridazine" 2637 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd2|Drd3|Drd4|Drd5" "DRD1_RAT|DRD2_RAT|DRD3_RAT|DRD4_RAT|DRD5_RAT" 7.07 "IC50" "Inhibition of [3H]spiperone binding to dopamine receptor from rat corpus striatal membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL479" "Rattus norvegicus" +"thioridazine" 2637 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 5.89 "IC50" "Displacement of [3H]clonidine from alpha-2 adrenergic receptor in rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL479" "Rattus norvegicus" +"thioridazine" 2637 "Pleiotropic ABC efflux transporter of multiple drugs" "Transporter" "P33302" "PDR5" "PDR5_YEAST" 5.89 "IC50" "Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL479" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"thioridazine" 2637 "Serotonin 1 (5-HT1) receptor" "GPCR" "P19327|P28564|P28565|P30940" "Htr1a|Htr1b|Htr1d|Htr1f" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT" 5.06 "IC50" "Displacement of [3H]-5-HT from serotonin-1 neurotransmitter receptor in rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL479" "Rattus norvegicus" +"thioridazine" 2637 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 7.76 "IC50" "Affinity for displacement of [3H]WB-4101 labeled Dopamine receptor D1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL479" "Rattus norvegicus" +"thioridazine" 2637 "Serine/threonine-protein kinase pim-1" "Kinase" "P11309" "PIM1" "PIM1_HUMAN" 5.16 "IC50" "Inhibition of PIM-1 (unknown origin) after 1 hr by HTRF assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL479" "Tchem" "Homo sapiens" +"thioridazine" 2637 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 7 "IC50" "Binding affinity against Histamine H1 receptor was measured using radioligand ([3H]pyrilamine) binding assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL479" "Rattus norvegicus" +"thioridazine" 2637 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 7.15 "Ki" "Binding affinity towards human 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL479" "Tclin" "Homo sapiens" +"thioridazine" 2637 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 8.55 "IC50" "In vitro binding affinity against Dopamine receptor D2 by displacement of [3H]haloperidol from rat striatal membranes." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL479" "Rattus norvegicus" +"thioridazine" 2637 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 8.29 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL479" "Rattus norvegicus" +"thioridazine" 2637 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 8.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=100" "ANTAGONIST" "Rattus norvegicus" +"thioridazine" 2637 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 7.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=100" "ANTAGONIST" "Rattus norvegicus" +"thioridazine" 2637 "G protein-activated inward rectifier potassium channel 2" "Ion channel" "P48542" "Kcnj6" "KCNJ6_MOUSE" 4.2 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=100" "GATING INHIBITOR" "Mus musculus" +"thiotepa" 2638 "DNA" "DNA" "Mechanism of Action" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL671" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL671" "OTHER" +"thiothixene" 2639 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.93971300125122 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thiothixene" 2639 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.68110227584839 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"thiothixene" 2639 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 6.44249296188355 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"thiothixene" 2639 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 5.72978734970093 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thiothixene" 2639 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.41195392608643 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thiothixene" 2639 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.45593214035034 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thiothixene" 2639 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 7.81678867340088 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thiothixene" 2639 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.41139221191406 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thiothixene" 2639 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.86813449859619 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thiothixene" 2639 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.82102298736572 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thiothixene" 2639 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 6.1811146736145 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thiothixene" 2639 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.38615798950195 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thiothixene" 2639 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 6.58335971832275 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"thiothixene" 2639 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 6.69250392913818 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"thiothixene" 2639 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.29242992401123 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thiothixene" 2639 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.39794015884399 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thiothixene" 2639 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.28441476821899 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thiothixene" 2639 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.30016326904297 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thiothixene" 2639 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.34678745269775 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201" "ANTAGONIST" "Tclin" "Homo sapiens" +"thiothixene" 2639 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.58502674102783 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thiothixene" 2639 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.09718179702759 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thiothixene" 2639 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.31753158569336 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thiothixene" 2639 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.38700437545776 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thiothixene" 2639 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.8124794960022 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thiothixene" 2639 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.67778062820435 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"thiothixene" 2639 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=212" "ANTAGONIST" "Tclin" "Homo sapiens" +"thiothixene" 2639 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=212" "ANTAGONIST" "Tclin" "Homo sapiens" +"levothyroxine" 2646 "Thyroid hormone receptor beta" "Nuclear hormone receptor" "P10828" "THRB" "THB_HUMAN" 8.52 "IC50" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL559" "AGONIST" "Tclin" "Homo sapiens" +"levothyroxine" 2646 "THAP domain-containing protein 1" "Unclassified" "Q9NVV9" "THAP1" "THAP1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"levothyroxine" 2646 "Thyroid hormone receptor alpha" "Nuclear hormone receptor" "P10827" "THRA" "THA_HUMAN" "UNKNOWN" 1 "IUPHAR" "AGONIST" "Tclin" "Homo sapiens" +"levothyroxine" 2646 "Transthyretin" "Secreted" "P02766" "TTR" "TTHY_HUMAN" 4.98 "IC50" "Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL559" "Tclin" "Homo sapiens" +"levothyroxine" 2646 "Bile acid receptor" "Nuclear hormone receptor" "Q96RI1" "NR1H4" "NR1H4_HUMAN" 5.1 "IC50" "Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL559" "Tclin" "Homo sapiens" +"levothyroxine" 2646 "Thyroid hormone receptor beta" "Transcription factor" "P18113" "Thrb" "THB_RAT" 7.46 "IC50" "In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL559" "Rattus norvegicus" +"tiagabine" 2648 "Sodium- and chloride-dependent GABA transporter 1" "Transporter" "P23978" "Slc6a1" "SC6A1_RAT" 7.17 "Ki" "In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1027" "Rattus norvegicus" +"tiagabine" 2648 "Sodium- and chloride-dependent GABA transporter 1" "Transporter" "P30531" "SLC6A1" "SC6A1_HUMAN" 7.77 "Ki" "Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1027" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1027" "INHIBITOR" "Tclin" "Homo sapiens" +"tiagabine" 2648 "Sodium- and chloride-dependent GABA transporter 1" "Transporter" "P31648" "Slc6a1" "SC6A1_MOUSE" 7.41 "Ki" "Binding affinity to mouse GAT1 stably transfected in HEK293 cells by NO-711 binding assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1027" "Mus musculus" +"tiagabine" 2648 "Sodium- and chloride-dependent betaine transporter" "Unclassified" "P31651" "Slc6a12" "S6A12_MOUSE" 6.74 "IC50" "Inhibition of [3H]GABA uptake at GAT2 in mouse astrocytes after 3 mins by scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1027" "Mus musculus" +"tiamenidine" 2649 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 8.04 "IC50" "Binding affinity against Alpha-2 adrenergic receptor is the ability to inhibit the specific [3H]clonidine binding (0.4 nM) to rat isolated brain membranes by 50% was reported; 9.1*10e-9" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL295409" "Rattus norvegicus" +"tiamenidine" 2649 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 5.31 "IC50" "Binding affinity against alpha-1 adrenergic receptor is the ability to inhibit the specific [3H]-prazosin binding (0.2 nM) to rat isolated brain membranes by 50% was reported; 4.85*10e-6" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL295409" "Rattus norvegicus" +"tianeptine" 2650 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 6.416801226 "Ki" "PDSP" "Tclin" "Homo sapiens" +"tiapride" 2651 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.75586557388306 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"tiapride" 2651 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.85387182235718 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"tiapride" 2651 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.0772647857666 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"tiapride" 2651 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.108462542 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tiaprofenic acid" 2652 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.9 "IC50" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/6782492" "INHIBITOR" "Tclin" "Homo sapiens" +"tiaprofenic acid" 2652 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 7.1 "IC50" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/6782492" "INHIBITOR" "Tclin" "Homo sapiens" +"tibolone" 2655 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.316952962 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tibolone" 2655 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 6.907279355 "Ki" "DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tibolone" 2655 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 5.522878745 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"tibolone" 2655 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 7.122628654 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"tibolone" 2655 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 7.542118103 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"tibolone" 2655 "Steryl-sulfatase" "Enzyme" "P08842" "STS" "STS_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"tibolone" 2655 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"tibolone" 2655 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"ticarcillin" 2656 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" +"ticarcillin" 2656 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1449" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1449" "INHIBITOR" "Escherichia coli (strain K12)" +"ticlopidine" 2657 "P2Y purinoceptor 12" "GPCR" "Q9H244" "P2RY12" "P2Y12_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL833" "ANTAGONIST" "Tclin" "Homo sapiens" +"ticlopidine" 2657 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.844663963 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ticlopidine" 2657 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.747146969 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ticlopidine" 2657 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.8569852 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ticlopidine" 2657 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.76700389 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ticlopidine" 2657 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.201156071 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ticlopidine" 2657 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 6.175353585 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"ticlopidine" 2657 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 5.697452628 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"ticlopidine" 2657 "Cytochrome P450 2A6" "Enzyme" "P11509" "CYP2A6" "CP2A6_HUMAN" 6.7 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"ticlopidine" 2657 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 4.28 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ticlopidine" 2657 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 4.33 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ticlopidine" 2657 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 4.13000011444092 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL833" "Tchem" "Homo sapiens" +"ticlopidine" 2657 "Bile salt export pump" "Unclassified" "O70127" "Abcb11" "ABCBB_RAT" 4.31 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL833" "Rattus norvegicus" +"ticlopidine" 2657 "Cytochrome P450 2B6" "Enzyme" "P20813" "CYP2B6" "CP2B6_HUMAN" 6.7 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7307" "INHIBITOR" "Tbio" "Homo sapiens" +"tienilic acid" 2658 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 5.494036482 "IC50" "DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde)" "DRUG MATRIX" "=" "Rattus norvegicus" +"tilidine" 2663 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.1 "EC50" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/15627429" "AGONIST" "Tclin" "Homo sapiens" +"tiliquinol" 2664 "Catechol O-methyltransferase" "Enzyme" "P22734" "Comt" "COMT_RAT" 4.35 "IC50" "Inhibition of Sprague-Dawley rat liver COMT after 10 mins using 0.05 uCi [14CH3]-SAM as substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1410814" "Rattus norvegicus" +"tiludronic acid" 2666 "Matrix metalloproteinase-14" "Enzyme" "P50281" "MMP14" "MMP14_HUMAN" 4.52 "IC50" "Inhibition of MMP14 catalytic domain (unknown origin) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 30 mins prior to substrate addition measured after 2 to 4 hrs by fluorometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1350" "Tchem" "Homo sapiens" +"tiludronic acid" 2666 "72 kDa type IV collagenase" "Enzyme" "P08253" "MMP2" "MMP2_HUMAN" 5.14 "IC50" "Inhibition of APMA-activated recombinant human MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 30 mins prior to substrate addition measured after 2 to 4 hrs by fluorometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1350" "Tchem" "Homo sapiens" +"tiludronic acid" 2666 "Neutrophil collagenase" "Enzyme" "P22894" "MMP8" "MMP8_HUMAN" 4.49 "IC50" "Inhibition of MMP8 catalytic domain (unknown origin) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 30 mins prior to substrate addition measured after 2 to 4 hrs by fluorometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1350" "Tclin" "Homo sapiens" +"tiludronic acid" 2666 "V-type proton ATPase 116 kDa subunit a isoform 3" "Enzyme" "Q13488" "TCIRG1" "VPP3_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"tiludronic acid" 2666 "Tyrosine-protein phosphatase non-receptor type 1" "Enzyme" "P18031" "PTPN1" "PTN1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"tinoridine" 2672 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 4.98716259002686 "EC50" "CHO-K1 cells stably expressing the human A1AR" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/19751980" "ANTAGONIST" "Tclin" "Homo sapiens" +"tiocarlide" 2673 "Epoxide hydrolase EphE; Hydrolase, alpha/beta hydrolase fold family" "Enzyme" "O69638" "O69638_MYCTO" 7.66 "IC50" "Inhibition of Mycobacterium tuberculosis recombinant EphE expressed in Escherichia coli BL21 using CMNPC as substrate after 30 mins by fluorescent assay relative to control" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL214920" "Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)" +"tioconazole" 2675 "Steroid 17-alpha-hydroxylase/17,20 lyase" "Enzyme" "P05093" "CYP17A1" "CP17A_HUMAN" 6.3 "Ki" "In vitro inhibition of human Cytochrome P450 17A1 activity" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200438" "Tclin" "Homo sapiens" +"tioconazole" 2675 "Lanosterol 14-alpha demethylase" "Enzyme" "P10613" "ERG11" "CP51_CANAL" "Mechanism of Action; CHEMBL1780; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200438" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200438" "INHIBITOR" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"tiopronin" 2676 "Angiotensin-converting enzyme" "Enzyme" "P12822" "ACE" "ACE_RABIT" 5.72 "IC50" "Inhibition of the activity of rabbit lung Angiotensin I converting enzyme" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1314" "Oryctolagus cuniculus" +"tiotropium bromide" 2677 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 11.1 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1182657" "ANTAGONIST" "Tclin" "Homo sapiens" +"tiotropium bromide" 2677 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 11 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"tiotropium bromide" 2677 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 11 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"tiotropium bromide" 2677 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 11 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"tiotropium bromide" 2677 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 11 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"tiotropium bromide" 2677 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 9.8 "Ki" "Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1182657" "Rattus norvegicus" +"tiotropium bromide" 2677 "Muscarinic acetylcholine receptor M3" "GPCR" "P08483" "Chrm3" "ACM3_RAT" 9.52 "Ki" "Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1182657" "Rattus norvegicus" +"tiotropium bromide" 2677 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 9.82 "Ki" "Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heart" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1182657" "Rattus norvegicus" +"tiquizium" 2678 "Muscarinic acetylcholine receptor" "GPCR" "F1PT23" "CHRM1" "F1PT23_CANFA" 8.69999980926514 "Ki" "radioligand ([3H]QNB) displacement assay" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/8839659" "Canis familiaris" +"tiquizium" 2678 "Muscarinic acetylcholine receptor" "GPCR" "F1PWR7" "CHRM2" "F1PWR7_CANFA" 8.9399995803833 "Ki" "radioligand ([3H]QNB) displacement assay" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/8839659" "Canis familiaris" +"tiquizium" 2678 "Muscarinic acetylcholine receptor" "GPCR" "F1PGZ2" "CHRM3" "F1PGZ2_CANFA" 9.10999965667725 "Ki" "radioligand ([3H]QNB) displacement assay" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/8839659" "Canis familiaris" +"tirofiban" 2680 "Integrin alpha-IIb/beta-3" "Adhesion" "P05106|P08514" "ITGA2B|ITGB3" "ITA2B_HUMAN|ITB3_HUMAN" 7.95860719680786 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/1469694" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/020912s021,020913s018lbl.pdf" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"tizanidine" 2683 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1079" "AGONIST" "Tclin" "Homo sapiens" +"tizanidine" 2683 "Nischarin" "Membrane receptor" "Q9Y2I1" "NISCH" "NISCH_HUMAN" 7.55 "Ki" "Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1079" "Tclin" "Homo sapiens" +"tizanidine" 2683 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1079" "AGONIST" "Tclin" "Homo sapiens" +"tizanidine" 2683 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1079" "AGONIST" "Tclin" "Homo sapiens" +"tobramycin" 2684 "Macrolide 2'-phosphotransferase II; Macrolide 2'-phosphotransferase II protein MphB; Macrolide 2-phosphotransferase, mph(B)" "Enzyme" "O32553" "mphB" "O32553_ECOLX" 5.8239 "Km" "WOMBAT-PK" "=" "Escherichia coli" +"tocainide" 2686 "Sodium channel alpha subunit" "Ion channel" "P35498|P35499|Q01118|Q14524|Q15858|Q99250|Q9NY46|Q9UI33|Q9UQD0|Q9Y5Y9" "SCN10A|SCN11A|SCN1A|SCN2A|SCN3A|SCN4A|SCN5A|SCN7A|SCN8A|SCN9A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN|SCN4A_HUMAN|SCN5A_HUMAN|SCN7A_HUMAN|SCN8A_HUMAN|SCN9A_HUMAN|SCNAA_HUMAN|SCNBA_HUMAN" "Mechanism of Action" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1762" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1762" "BLOCKER" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"tolazamide" 2694 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.29191919 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" +"tolazamide" 2694 "Sulfonylurea receptor 1, Kir6.2" "Ion channel" "Q09428|Q14654" "ABCC8|KCNJ11" "ABCC8_HUMAN|KCJ11_HUMAN" "Mechanism of Action; CHEMBL2096972; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL817" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL817" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"tolazoline" 2695 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 5.43 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL770" "ANTAGONIST" "Tclin" "Homo sapiens" +"tolazoline" 2695 "Trace amine-associated receptor 1" "GPCR" "Q96RJ0" "TAAR1" "TAAR1_HUMAN" 5.79 "Ki" "Displacement of (S)-4-(2,4-difluorophenyl-3-tritio) -4,5-dihydro-2-oxazolamine from human TAAR1 receptor expressed in HEK293 cells after 90 mins by beta counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL770" "Tclin" "Homo sapiens" +"tolazoline" 2695 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 6.74 "Ki" "Displacement of [3H]clonidine from Alpha-2 adrenergic receptor of rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL770" "Rattus norvegicus" +"tolazoline" 2695 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 5.68 "IC50" "Inhibition of specific [3H]-prazosin binding (0.2 nM) to rat brain membranes alpha1 adrenoceptor; 2.1*10e-6" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL770" "Rattus norvegicus" +"tolazoline" 2695 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.5 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL770" "ANTAGONIST" "Tclin" "Homo sapiens" +"tolazoline" 2695 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 5.5 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL770" "ANTAGONIST" "Tclin" "Homo sapiens" +"tolazoline" 2695 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.64 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL770" "ANTAGONIST" "Tclin" "Homo sapiens" +"tolbutamide" 2696 "Solute carrier family 22 member 6" "Transporter" "O35956" "Slc22a6" "S22A6_RAT" 4.26 "Ki" "Inhibition of rat Oat1 expressed in Xenopus oocytes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL782" "Rattus norvegicus" +"tolbutamide" 2696 "Sulfonylurea receptor 1, Kir6.2" "Ion channel" "Q09428|Q14654" "ABCC8|KCNJ11" "ABCC8_HUMAN|KCJ11_HUMAN" 5.04575729370117 "Kd" "[86]Rb+ efflux in RINm5F insulinoma cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/2445740" "http://www.ncbi.nlm.nih.gov/pubmed/2445740" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"tolbutamide" 2696 "ATP-sensitive inward rectifier potassium channel 11" "Unclassified" "Q61743" "Kcnj11" "KCJ11_MOUSE" 4.5 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6848" "BLOCKER" "Mus musculus" +"tolcapone" 2697 "Krueppel-like factor 10" "Unclassified" "Q13118" "KLF10" "KLF10_HUMAN" 4.30000019073486 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1324" "Tbio" "Homo sapiens" +"tolcapone" 2697 "Catechol O-methyltransferase" "Enzyme" "P21964" "COMT" "COMT_HUMAN" 9.56863594055176 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "CHEMBL" "http://www.ncbi.nlm.nih.gov/pubmed/7703232" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1324" "INHIBITOR" "Tclin" "Homo sapiens" +"tolcapone" 2697 "Catechol O-methyltransferase" "Enzyme" "P22734" "Comt" "COMT_RAT" 8.66 "IC50" "Inhibition of Catechol O-methyltransferase activity in rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1324" "Rattus norvegicus" +"tolcapone" 2697 "G-protein coupled receptor 35" "GPCR" "Q9HC97" "GPR35" "GPR35_HUMAN" 5.13000011444092 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1324" "Tchem" "Homo sapiens" +"tolcapone" 2697 "Bile salt export pump" "Unclassified" "O70127" "Abcb11" "ABCBB_RAT" 4.33 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1324" "Rattus norvegicus" +"tolfenamic acid" 2698 "Aldo-keto reductase family 1 member C3" "Enzyme" "P42330" "AKR1C3" "AK1C3_HUMAN" 8.1 "Ki" "Inhibition of human AKR1C3 using S-(+)-1,2,3,4-tetrahydro-1-naphthol as substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL121626" "Tchem" "Homo sapiens" +"tolfenamic acid" 2698 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 4.33 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"tolfenamic acid" 2698 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 6.24 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"tolfenamic acid" 2698 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 8.3 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"tolfenamic acid" 2698 "Transthyretin" "Secreted" "P02766" "TTR" "TTHY_HUMAN" 4.4 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL121626" "Tclin" "Homo sapiens" +"tolmetin" 2699 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 5.66695597 "IC50" "DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde)" "DRUG MATRIX" "=" "Rattus norvegicus" +"tolmetin" 2699 "Interleukin-8" "Cytokine" "P10145" "CXCL8" "IL8_HUMAN" 7.05 "IC50" "Inhibition of CXCL8-induced chemotaxis in human polymorphonuclear leukocyte pretreated for 15 mins measured after 4 hrs by cell migration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1020" "Tchem" "Homo sapiens" +"tolmetin" 2699 "Lactoylglutathione lyase" "Enzyme" "Q04760" "GLO1" "LGUL_HUMAN" 4.06 "Ki" "Inhibition of glyoxalase 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1020" "Tchem" "Homo sapiens" +"tolmetin" 2699 "Aldose reductase" "Enzyme" "P15121" "AKR1B1" "ALDR_HUMAN" 5.62 "IC50" "Inhibition of Homo sapiens (human) aldose reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1020" "Tclin" "Homo sapiens" +"tolmetin" 2699 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 6.27 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1020" "INHIBITOR" "Tclin" "Homo sapiens" +"tolmetin" 2699 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.84 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1020" "INHIBITOR" "Tclin" "Homo sapiens" +"tolonium" 2701 "Microtubule-associated protein tau" "Structural" "P10636" "MAPT" "TAU_HUMAN" 7.16 "Ki" "Inhibition of recombinant tau (unknown origin) aggregation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1197206" "Tchem" "Homo sapiens" +"tolonium" 2701 "Zinc finger protein mex-5" "Cytosolic other" "Q9XUB2" "mex-5" "MEX5_CAEEL" 4.45 "EC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1197206" "Caenorhabditis elegans" +"toloxatone" 2702 "Amine oxidase [flavin-containing] A" "Enzyme" "P21396" "Maoa" "AOFA_RAT" 6.42 "Ki" "Inhibitory concentration for rat Monoamine oxidase A" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18116" "Rattus norvegicus" +"toloxatone" 2702 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 5.82 "Ki" "Inhibition of MAO-A (unknown origin) by luciferase reporter gene assay" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18116" "http://www.ncbi.nlm.nih.gov/pubmed/1546145" "INHIBITOR" "Tclin" "Homo sapiens" +"toloxatone" 2702 "Amine oxidase [flavin-containing] A" "Enzyme" "P21398" "MAOA" "AOFA_BOVIN" 6.42 "Ki" "Inhibition of bovine brain mitochondrial Monoamine oxidase A (MAO-A) compared to toloxatone" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18116" "Bos taurus" +"toloxatone" 2702 "Amine oxidase [flavin-containing] B" "Enzyme" "P56560" "MAOB" "AOFB_BOVIN" 4.82 "Ki" "Inhibition of bovine brain mitochondrial Monoamine oxidase B (MAO-B) compared to toloxatone" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18116" "Bos taurus" +"toloxatone" 2702 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 4.82 "Ki" "Inhibitory concentration for human Monoamine oxidase B" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18116" "Tclin" "Homo sapiens" +"tolperisone" 2703 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 8.252588192 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tolperisone" 2703 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.341035157 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tolperisone" 2703 "SMR1-alpha3" "Unclassified" "P70634" "VCS-alpha3" "P70634_RAT" 5.684869683 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"tolperisone" 2703 "BetaB2-crystallin" "Unclassified" "P70635" "Crybb2" "P70635_RAT" 5.474048659 "IC50" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"tolrestat" 2704 "Aldose reductase" "Enzyme" "P15121" "AKR1B1" "ALDR_HUMAN" 8.5086 "IC50" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/6422042" "INHIBITOR" "Tclin" "Homo sapiens" +"tolrestat" 2704 "Aldose reductase" "Enzyme" "P16116" "AKR1B1" "ALDR_BOVIN" 7.48 "IC50" "In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL436" "Bos taurus" +"tolrestat" 2704 "Aldose reductase" "Enzyme" "P80276" "AKR1B1" "ALDR_PIG" 7.82 "IC50" "In vitro inhibitory activity against aldose reductase in porcine lens." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL436" "Sus scrofa" +"tolrestat" 2704 "Aldo-keto reductase family 1 member C21" "Enzyme" "Q91WR5" "Akr1c21" "AK1CL_MOUSE" 4.66 "Ki" "Inhibition of mouse recombinant AKR1C21" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL436" "Mus musculus" +"tolrestat" 2704 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 8.7 "IC50" "In vitro inhibition of Aldose reductase (AR) from rat lens (RL)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL436" "Rattus norvegicus" +"tolrestat" 2704 "Alcohol dehydrogenase [NADP(+)]" "Enzyme" "P14550" "AKR1A1" "AK1A1_HUMAN" 6.14 "IC50" "Inhibition of N-terminal 6His-tagged human aldehyde reductase expressed in Escherichia coli BL21(DE3) mediated D-glucuronate reduction" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL436" "Tchem" "Homo sapiens" +"tolrestat" 2704 "Alcohol dehydrogenase [NADP(+)]" "Enzyme" "P51635" "Akr1a1" "AK1A1_RAT" 5.92 "IC50" "Evaluated for inhibition of Aldehyde reductase 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL436" "Rattus norvegicus" +"tolrestat" 2704 "Aldo-keto reductase family 1 member B10" "Enzyme" "O60218" "AKR1B10" "AK1BA_HUMAN" 7.3 "Ki" "Inhibition of reductase activity of N-terminal 6His-tagged human AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as pyridine-3-aldehyde reduction" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL436" "Tchem" "Homo sapiens" +"tolrestat" 2704 "Alcohol dehydrogenase [NADP(+)]" "Enzyme" "P50578" "AKR1A1" "AK1A1_PIG" 6.27 "IC50" "Selectivity ratio measured as the IC50 ratio of aldehyde/aldose reductase values" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL436" "Sus scrofa" +"tolterodine" 2705 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 8.57 "Ki" "Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M2 receptor expressed in CHO cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1382" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1382" "ANTAGONIST" "Tclin" "Homo sapiens" +"tolterodine" 2705 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 8.85 "Ki" "Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M1 receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1382" "Tclin" "Homo sapiens" +"tolterodine" 2705 "Muscarinic acetylcholine receptor M3" "GPCR" "P08483" "Chrm3" "ACM3_RAT" 8.15 "Ki" "Affinity for rat Muscarinic acetylcholine receptor M3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1382" "Rattus norvegicus" +"tolterodine" 2705 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 8.16 "Ki" "Affinity for rat Muscarinic acetylcholine receptor M2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1382" "Rattus norvegicus" +"tolterodine" 2705 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 7.77 "IC50" "Inhibitory concentration against potassium channel HERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1382" "Tclin" "Homo sapiens" +"tolterodine" 2705 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 8.49 "Ki" "Binding affinity to human muscarinic M3 receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1382" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1382" "ANTAGONIST" "Tclin" "Homo sapiens" +"tolterodine" 2705 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.51 "Ki" "Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M4 receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1382" "Tclin" "Homo sapiens" +"tolterodine" 2705 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 8.66 "Ki" "Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M5 receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1382" "Tclin" "Homo sapiens" +"topiramate" 2706 "Sodium channel protein type 1 subunit alpha" "Ion channel" "P35498" "SCN1A" "SCN1A_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00273" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "BLOCKER" "Tclin" "Homo sapiens" +"topiramate" 2706 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "BLOCKER" "Tclin" "Homo sapiens" +"topiramate" 2706 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"topiramate" 2706 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "POSITIVE MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"topiramate" 2706 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 8.3 "Ki" "Compound was evaluated for inhibition against human carbonic anhydrase II" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "INHIBITOR" "Tclin" "Homo sapiens" +"topiramate" 2706 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 7.33 "Ki" "Inhibition of murine CA13 by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "Mus musculus" +"topiramate" 2706 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 8.42 "Ki" "Ki value against human carbonic anhydrase XII (hCA XII)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "Tclin" "Homo sapiens" +"topiramate" 2706 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.31 "Ki" "Inhibitory activity against human carbonic anhydrase IV (hCAIV)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "INHIBITOR" "Tclin" "Homo sapiens" +"topiramate" 2706 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 7.33 "Ki" "Inhibition of human recombinant CA13 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "Tclin" "Homo sapiens" +"topiramate" 2706 "Carbonic anhydrase 2" "Unclassified" "Q3I4V7" "CAN2" "Q3I4V7_CRYNV" 6.43 "Ki" "Inhibition of Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "Cryptococcus neoformans var. grubii" +"topiramate" 2706 "Carbonic anhydrase" "Enzyme" "Q50565" "Q50565_METTH" 4.63 "Ki" "Inhibitory activity against beta carbonic anhydrase (Cab) from Methanobacterium thermoautotrophicum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "Methanothermobacter thermautotrophicus (strain ATCC 29096 / DSM 1053 / JCM 10044 / NBRC 100330 / Delta H)" +"topiramate" 2706 "Alpha carbonic anhydrase" "Unclassified" "B5SU02" "CA" "B5SU02_9CNID" 7.54 "Ki" "Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "Stylophora pistillata" +"topiramate" 2706 "Probable transmembrane carbonic anhydrase (Carbonate dehydratase) (Carbonic dehydratase); Transmembrane carbonic anhydrase" "Enzyme" "P96878" "P96878_MYCTU" 5.52 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant Rv3273 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"topiramate" 2706 "Carbonic anhydrase V" "Enzyme" "P35218|Q9Y2D0" "CA5A|CA5B" "CAH5A_HUMAN|CAH5B_HUMAN" 7.6 "Ki" "Mean inhibitory constant towards human carbonic anhydrase V determined by spectrophotometric dansylamide binding assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "Tclin|Tclin" "Homo sapiens" +"topiramate" 2706 "Astrosclerin-3" "Unclassified" "A6YCJ1" "A6YCJ1_9METZ" 7.42 "Ki" "Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "Astrosclera willeyana" +"topiramate" 2706 "Beta-carbonic anhydrase 1" "Enzyme" "P9WPJ7" "mtcA1" "MTCA1_MYCTU" 6.21 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase 1 encoded by Rv1284 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"topiramate" 2706 "Carbonic anhydrase" "Unclassified" "C0IX24" "CA2" "C0IX24_9CNID" 6.44 "Ki" "Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "Stylophora pistillata" +"topiramate" 2706 "Delta carbonic anhydrase" "Unclassified" "Q5U9J1" "ca1" "Q5U9J1_THAWE" 6.41 "Ki" "Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "Thalassiosira weissflogii" +"topiramate" 2706 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 7.6 "Kd" "Inhibition of human carbonic anhydrase 5A" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "Tclin" "Homo sapiens" +"topiramate" 2706 "Carbonic anhydrase" "Enzyme" "P53615" "NCE103" "CAN_YEAST" 6.96 "Ki" "Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"topiramate" 2706 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 5.84 "Ki" "Inhibitory constant against human carbonic anhydrase XIV in CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "Tclin" "Homo sapiens" +"topiramate" 2706 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 9.06 "Ki" "Ki value against human carbonic anhydrase VII" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "Tclin" "Homo sapiens" +"topiramate" 2706 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 7.24 "Ki" "Compound was evaluated for inhibition against human carbonic anhydrase IX" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "Tclin" "Homo sapiens" +"topiramate" 2706 "Carbonic anhydrase" "Enzyme" "O24855" "cynT" "CYNT_HELPY" 6.76 "Ki" "Inhibition of Helicobacter pylori recombinant carbonic anhydrase by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "Helicobacter pylori (strain ATCC 700392 / 26695)" +"topiramate" 2706 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 7.11 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "Mus musculus" +"topiramate" 2706 "Carbonic anhydrase 2" "Enzyme" "P27139" "Ca2" "CAH2_RAT" 5.85 "IC50" "Inhibition concentration against carbonic anhydrase II in rat determined in esterase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "Rattus norvegicus" +"topiramate" 2706 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 6.6 "Ki" "Compound was evaluated for inhibition against human carbonic anhydrase I" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "Tclin" "Homo sapiens" +"topiramate" 2706 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 7.52 "Ki" "Inhibitory activity against human recombinant mitochondrial isozyme CA VB" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "Tclin" "Homo sapiens" +"topiramate" 2706 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 8 "Ki" "Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"topiramate" 2706 "Carbonic anhydrase" "Enzyme" "P40881" "CAH_METTE" 6.92 "Ki" "Inhibitory activity against alpha carbonic anhydrase (Co-Cam) from Methanosarcina thermophila" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "Methanosarcina thermophila" +"topiramate" 2706 "Carbonic anhydrase 2" "Enzyme" "P9WPJ9" "mtcA2" "MTCA2_MYCTU" 6.32 "Ki" "Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"topiramate" 2706 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 7.35 "Ki" "Inhibition of full length human recombinant CA VI" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "Tclin" "Homo sapiens" +"topiramate" 2706 "Sodium channel protein type 2 subunit alpha" "Ion channel" "P04775" "Scn2a" "SCN2A_RAT" 4.01 "IC50" "Inhibition of rat Nav1.2 channel expressed in chinese hamster CHL1610 cells at preconditioning pulse of -67 mV after 2 to 3 mins by whole-cell patch-clamp technique" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "Rattus norvegicus" +"topiramate" 2706 "Carbonic anhydrase 4" "Enzyme" "Q95323" "CA4" "CAH4_BOVIN" 7.27 "Ki" "Compound was evaluated for inhibition against bovine carbonic anhydrase IV" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "Bos taurus" +"topiramate" 2706 "Glutamate receptor ionotropic AMPA" "Ion channel" "P42261|P42262|P42263|P48058" "GRIA1|GRIA2|GRIA3|GRIA4" "GRIA1_HUMAN|GRIA2_HUMAN|GRIA3_HUMAN|GRIA4_HUMAN" "Mechanism of Action; CHEMBL2096670; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "ANTAGONIST" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"topiramate" 2706 "Glutamate receptor ionotropic kainate" "Ion channel" "P39086|Q13002|Q13003|Q16099|Q16478" "GRIK1|GRIK2|GRIK3|GRIK4|GRIK5" "GRIK1_HUMAN|GRIK2_HUMAN|GRIK3_HUMAN|GRIK4_HUMAN|GRIK5_HUMAN" "Mechanism of Action; CHEMBL2109241; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "ANTAGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"topiramate" 2706 "Carbonic anhydrase" "Enzyme" "Q6FTL6" "Q6FTL6_CANGA" 6.96 "Ki" "Inhibition of recombinant full length Candida glabrata NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "Candida glabrata (strain ATCC 2001 / CBS 138 / JCM 3761 / NBRC 0622 / NRRL Y-65)" +"topotecan" 2707 "DNA topoisomerase I, mitochondrial" "Enzyme" "Q969P6" "TOP1MT" "TOP1M_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL84" "INHIBITOR" "Tclin" "Homo sapiens" +"topotecan" 2707 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.817842234 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"topotecan" 2707 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"topotecan" 2707 "Multidrug resistance-associated protein 4" "Transporter" "O15439" "ABCC4" "MRP4_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"topotecan" 2707 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"topotecan" 2707 "Canalicular multispecific organic anion transporter 1" "Transporter" "Q92887" "ABCC2" "MRP2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"topotecan" 2707 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"topotecan" 2707 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.21 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL84" "Tchem" "Homo sapiens" +"topotecan" 2707 "DNA topoisomerase 1" "Enzyme" "P11387" "TOP1" "TOP1_HUMAN" 7.58 "Kd" "Binding affinity to topoisomerase 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL84" "Tclin" "Homo sapiens" +"topotecan" 2707 "Hypoxia-inducible factor 1-alpha" "Transcription factor" "Q16665" "HIF1A" "HIF1A_HUMAN" 7.22 "IC50" "Inhibition of HIF1alpha in human U251 cells under hypoxic condition by luciferase reporter gene assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL84" "Tchem" "Homo sapiens" +"topotecan" 2707 "DNA topoisomerase I" "Unclassified" "Q04750" "Top1" "TOP1_MOUSE" 4.7 "IC50" "Average concentration to cause 50% inhibition of topo 1 using the cleavable complex assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL84" "Mus musculus" +"topotecan" 2707 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 5.07 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL84" "Tchem" "Homo sapiens" +"topotecan" 2707 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.89 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL84" "Tchem" "Homo sapiens" +"topotecan" 2707 "ORF 73" "Unclassified" "O40947" "O40947_HHV8" 5.67 "AC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL84" "Human herpesvirus 8" +"topotecan" 2707 "UDP-galactopyranose mutase" "Unclassified" "P9WIQ1" "glf" "GLF_MYCTU" 5.16 "AC50" "active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL84" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"torsemide" 2708 "Solute carrier family 12 member 1" "Transporter" "Q13621" "SLC12A1" "S12A1_HUMAN" 6.4 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1148" "INHIBITOR" "Tclin" "Homo sapiens" +"toremifene" 2709 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1655" "MODULATOR" "Tclin" "Homo sapiens" +"toremifene" 2709 "Estrogen-related receptor gamma" "Nuclear hormone receptor" "P62508" "ESRRG" "ERR3_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"toremifene" 2709 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.38 "Ki" "Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells after 1.5 hrs by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1655" "Tchem" "Homo sapiens" +"tramadol" 2711 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 7.85 "Ki" "Displacement of [3H]U69593 form human kappa opioid receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1237044" "Tclin" "Homo sapiens" +"tramadol" 2711 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 8.03 "Ki" "Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1237044" "Tclin" "Homo sapiens" +"tramadol" 2711 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.8 "Ki" "Displacement of [3H]DAMGO form human mu opioid receptor expressed in CHO cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1237044" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1237044" "AGONIST" "Tclin" "Homo sapiens" +"tramadol" 2711 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.1 "IC50" "Inhibition of reuptake of Norepinephrine" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1237044" "Tclin" "Homo sapiens" +"tramadol" 2711 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 5.62 "Ki" "Displacement of [3H]-dihydromorphine from mu opioid receptor in rat cerebral cortex by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1237044" "Rattus norvegicus" +"tramadol" 2711 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.83 "IC50" "Inhibition of SERT mediated 5-hydroxytryptamine uptake" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1237044" "Tclin" "Homo sapiens" +"tramadol" 2711 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.2798 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"trandolapril" 2712 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 8.12 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1519" "INHIBITOR" "Tclin" "Homo sapiens" +"tranexamic acid" 2713 "Plasminogen" "Enzyme" "P00747" "PLG" "PLMN_HUMAN" 5.96 "Kd" "Binding affinity to human plasma full length Glu-plasminogen K1 domain by surface plasmon resonance analysis" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL877" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL877" "INHIBITOR" "Tclin" "Homo sapiens" +"tranilast" 2714 "Hematopoietic prostaglandin D synthase" "Enzyme" "O60760" "HPGDS" "HPGDS_HUMAN" 4.94 "IC50" "Inhibition of glutathione-S-transferase activity of prostaglandin D2 synthase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL415324" "Tchem" "Homo sapiens" +"tranylcypromine" 2715 "Cationic trypsin" "Enzyme" "P00760" "TRY1_BOVIN" 4.88 "Ki" "Binding affinity against bovine trypsin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1179" "Bos taurus" +"tranylcypromine" 2715 "Lysine-specific histone demethylase 1A" "Enzyme" "O60341" "KDM1A" "KDM1A_HUMAN" 4.6 "Ki" "Inhibition of human recombinant His-tagged full length LSD1 expressed in Escherichia coli BL21 (DE3) assessed as inactivation constant preincubated for 20 mins with substrate measured after 30 mins by AmplexRed based fluorescence quenching assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1179" "Tchem" "Homo sapiens" +"tranylcypromine" 2715 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 7.48 "IC50" "Compound was evaluated for inhibition of Microbial tyramine oxidase; irreversible" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1179" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1179" "INHIBITOR" "Tclin" "Homo sapiens" +"tranylcypromine" 2715 "Cytochrome P450 2A6" "Enzyme" "P11509" "CYP2A6" "CP2A6_HUMAN" 7.187 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"tranylcypromine" 2715 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.292429824 "Ki" "PDSP" "Tclin" "Homo sapiens" +"tranylcypromine" 2715 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.229147988 "Ki" "PDSP" "Tclin" "Homo sapiens" +"tranylcypromine" 2715 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.224535191 "Ki" "PDSP" "Tclin" "Homo sapiens" +"tranylcypromine" 2715 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 6.61999988555908 "IC50" "Inhibition of human recombinant MAO-A assessed as kynuramine oxidation to 4-hydroxyquinoline after 40 mins by LC-MS/MS analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1179" "Tclin" "Homo sapiens" +"tranylcypromine" 2715 "Lysine-specific histone demethylase 1B" "Enzyme" "Q8NB78" "KDM1B" "KDM1B_HUMAN" 4.46000003814697 "IC50" "Inhibition of recombinant LSD2 (22 to 822 aa) (unknown origin) expressed in Escherichia coli BL21(DE) by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1179" "Tbio" "Homo sapiens" +"tranylcypromine" 2715 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 4.89 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1179" "Rattus norvegicus" +"travoprost" 2716 "Prostaglandin F2-alpha receptor" "GPCR" "P43088" "PTGFR" "PF2R_HUMAN" 7.28399658203125 "Ki" "inhibition of [3H]AL-5848 binding to prostaglandin FP receptor" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/10454045" "http://www.ncbi.nlm.nih.gov/pubmed/10454045" "AGONIST" "Tclin" "Homo sapiens" +"travoprost" 2716 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P43115" "PTGER3" "PE2R3_HUMAN" 5.45580768585205 "Ki" "inhibition of [3H]AL-5848 binding to prostaglandin EP3 receptor" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/10454045" "Tclin" "Homo sapiens" +"trazodone" 2717 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 6.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=213" "ANTAGONIST" "Rattus norvegicus" +"trazodone" 2717 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 6.97469425201416 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"trazodone" 2717 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.48280429840088 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"trazodone" 2717 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.80966806411743 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"trazodone" 2717 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.033389013 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"trazodone" 2717 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.749579998 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"trazodone" 2717 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.895854449 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"trazodone" 2717 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.327902142 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"trazodone" 2717 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.214670165 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"trazodone" 2717 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 6.080921908 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" +"trazodone" 2717 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.083019953 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"trazodone" 2717 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.65 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL621" "ANTAGONIST" "Tclin" "Homo sapiens" +"trazodone" 2717 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.35 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL621" "ANTAGONIST" "Tclin" "Homo sapiens" +"trazodone" 2717 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.8 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL621" "INHIBITOR" "Tclin" "Homo sapiens" +"trazodone" 2717 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.13 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"trazodone" 2717 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.21 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"trazodone" 2717 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 9.5513 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"trazodone" 2717 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.08 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"trazodone" 2717 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.0177 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"trazodone" 2717 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.07 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"trazodone" 2717 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.54 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"trazodone" 2717 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.58 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"trazodone" 2717 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 7.77 "IC50" "Compound was tested for the inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2A receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL621" "Rattus norvegicus" +"trazodone" 2717 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 6.153044675 "Ki" "PDSP" "Tchem" "Homo sapiens" +"trazodone" 2717 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 5.7490923 "Ki" "PDSP" "Tclin" "Homo sapiens" +"trazodone" 2717 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.455931956 "Ki" "PDSP" "Tclin" "Homo sapiens" +"trazodone" 2717 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.428291168 "Ki" "PDSP" "Tclin" "Homo sapiens" +"trazodone" 2717 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.65 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL621" "Rattus norvegicus" +"trazodone" 2717 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 6.93 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL621" "Rattus norvegicus" +"treprostinil" 2720 "Prostacyclin receptor" "GPCR" "P43119" "PTGIR" "PI2R_HUMAN" 8.72 "EC50" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=5820" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1237119" "AGONIST" "Tclin" "Homo sapiens" +"treprostinil" 2720 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P43115" "PTGER3" "PE2R3_HUMAN" 5.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=5820" "AGONIST" "Tclin" "Homo sapiens" +"treprostinil" 2720 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P35408" "PTGER4" "PE2R4_HUMAN" 6.7 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=5820" "AGONIST" "Tclin" "Homo sapiens" +"treprostinil" 2720 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P34995" "PTGER1" "PE2R1_HUMAN" 6.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=5820" "AGONIST" "Tclin" "Homo sapiens" +"treprostinil" 2720 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "P43116" "PTGER2" "PE2R2_HUMAN" 8.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=5820" "AGONIST" "Tclin" "Homo sapiens" +"treprostinil" 2720 "Prostaglandin D2 receptor" "GPCR" "Q13258" "PTGDR" "PD2R_HUMAN" 8.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=5820" "AGONIST" "Tclin" "Homo sapiens" +"tretinoin" 2722 "Retinoic acid receptor gamma" "Nuclear hormone receptor" "P13631" "RARG" "RARG_HUMAN" 6.7 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38" "AGONIST" "Tclin" "Homo sapiens" +"tretinoin" 2722 "Retinoic acid receptor beta" "Nuclear hormone receptor" "P10826" "RARB" "RARB_HUMAN" 6.7 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38" "AGONIST" "Tclin" "Homo sapiens" +"tretinoin" 2722 "Retinoic acid receptor alpha" "Nuclear hormone receptor" "P10276" "RARA" "RARA_HUMAN" 6.7 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38" "AGONIST" "Tclin" "Homo sapiens" +"tretinoin" 2722 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.642065153 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tretinoin" 2722 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.525492361 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"tretinoin" 2722 "Mitogen-activated protein kinase 1" "Kinase" "P28482" "MAPK1" "MK01_HUMAN" 6.239577517 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"tretinoin" 2722 "Retinoic acid receptor RXR-alpha" "Nuclear hormone receptor" "P19793" "RXRA" "RXRA_HUMAN" 9.4 "Ki" "Binding affinity for retinoic acid receptor RAR alpha" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38" "Tclin" "Homo sapiens" +"tretinoin" 2722 "Retinoic acid receptor alpha" "Transcription factor" "P11416" "Rara" "RARA_MOUSE" 7.82 "Kd" "Dissociation constant for binding to Retinoic acid receptor alpha" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38" "Mus musculus" +"tretinoin" 2722 "Retinoic acid receptor RXR-gamma" "Transcription factor" "P28705" "Rxrg" "RXRG_MOUSE" 6.46 "Kd" "Dissociation constant for binding to Retinoid X receptor gamma" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38" "Mus musculus" +"tretinoin" 2722 "Retinoic acid receptor RXR-beta" "Nuclear hormone receptor" "P28702" "RXRB" "RXRB_HUMAN" 9.3 "Ki" "Binding affinity for retinoic acid receptor RAR beta" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38" "Tclin" "Homo sapiens" +"tretinoin" 2722 "Retinoic acid receptor RXR-beta" "Transcription factor" "P28704" "Rxrb" "RXRB_MOUSE" 6.51 "Kd" "Inhibition of [3H]9-cis-RA binding to mouse Retinoid X receptor RXR beta" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38" "Mus musculus" +"tretinoin" 2722 "Retinoic acid receptor gamma" "Transcription factor" "P18911" "Rarg" "RARG_MOUSE" 7.74 "Kd" "Dissociation constant for binding to Retinoic acid receptor gamma" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38" "Mus musculus" +"tretinoin" 2722 "Retinoic acid receptor RXR-gamma" "Nuclear hormone receptor" "P48443" "RXRG" "RXRG_HUMAN" 8.85 "Ki" "Binding affinity for retinoic acid receptor RAR gamma" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38" "Tclin" "Homo sapiens" +"tretinoin" 2722 "Cellular retinoic acid-binding protein 1" "Cytosolic other" "P40220" "CRABP1" "RABP1_CHICK" 6.43 "IC50" "Tested for its ability to inhibit the binding of (all-E-)-RA to cytoplasmic retinoic acid-binding protein (CRABP) from chick skin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38" "Gallus gallus" +"tretinoin" 2722 "Retinoic acid receptor RXR-alpha" "Transcription factor" "P28700" "Rxra" "RXRA_MOUSE" 6 "Kd" "Dissociation constant for binding to Retinoid X receptor alpha" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38" "Mus musculus" +"tretinoin" 2722 "Cellular retinoic acid-binding protein 1" "Cytosolic other" "P62965" "Crabp1" "RABP1_MOUSE" 9.4 "Kd" "Inhibition of [3H]ATRA binding to murine Cytoplasmic retinoic acid binding protein (CRABP) type 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38" "Mus musculus" +"tretinoin" 2722 "Retinoic acid receptor beta" "Transcription factor" "P22605" "Rarb" "RARB_MOUSE" 7.89 "Kd" "Dissociation constant for binding to Retinoic acid receptor beta" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38" "Mus musculus" +"tretinoin" 2722 "Indoleamine 2,3-dioxygenase 2" "Enzyme" "Q8R0V5" "Ido2" "I23O2_MOUSE" 4.54 "IC50" "Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38" "Mus musculus" +"tretinoin" 2722 "Cellular retinoic acid-binding protein 2" "Cytosolic other" "P22935" "Crabp2" "RABP2_MOUSE" 8.7 "Kd" "Inhibition of [3H]ATRA binding to murine Cytoplasmic retinoic acid binding protein (CRABP) type 2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38" "Mus musculus" +"tretinoin" 2722 "11-cis retinol dehydrogenase" "Enzyme" "Q92781" "RDH5" "RDH1_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"tretinoin" 2722 "Nuclear receptor ROR-beta" "Nuclear hormone receptor" "Q92753" "RORB" "RORB_HUMAN" 9.82 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2644" "ANTAGONIST" "Tchem" "Homo sapiens" +"tretinoin" 2722 "Peroxisome proliferator-activated receptor delta" "Nuclear hormone receptor" "Q03181" "PPARD" "PPARD_HUMAN" 7.8 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2644" "AGONIST" "Tchem" "Homo sapiens" +"tretinoin" 2722 "Nuclear receptor ROR-gamma" "Nuclear hormone receptor" "P51449" "RORC" "RORG_HUMAN" 6.69999980926514 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38" "Tchem" "Homo sapiens" +"tretinoin" 2722 "Nuclear receptor ROR-alpha" "Nuclear hormone receptor" "P35398" "RORA" "RORA_HUMAN" 6.69999980926514 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38" "Tchem" "Homo sapiens" +"tretinoin" 2722 "Nuclear receptor subfamily 2 group C member 2" "Unclassified" "P49116" "NR2C2" "NR2C2_HUMAN" 4.62 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2644" "AGONIST" "Homo sapiens" +"tretoquinol" 2723 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 8.270025714 "Ki" "PDSP" "Tclin" "Homo sapiens" +"tretoquinol" 2723 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd2|Drd3|Drd4|Drd5" "DRD1_RAT|DRD2_RAT|DRD3_RAT|DRD4_RAT|DRD5_RAT" 5.3 "Ki" "Inhibition of [3H]spiroperidol binding to dopamine receptor from rat striatum membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL299175" "Rattus norvegicus" +"tretoquinol" 2723 "Adrenergic receptor alpha" "GPCR" "P15823|P19328|P22086|P22909|P23944|P43140" "Adra1a|Adra1b|Adra1d|Adra2a|Adra2b|Adra2c" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT|ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 5 "Ki" "Inhibition of [3H]WB-4101 binding to alpha adrenergic receptor from rat cerebral cortical membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL299175" "Rattus norvegicus" +"tretoquinol" 2723 "Adrenergic receptor beta" "GPCR" "P07550|P08588|P13945" "ADRB1|ADRB2|ADRB3" "ADRB1_HUMAN|ADRB2_HUMAN|ADRB3_HUMAN" 7.51 "EC50" "Compound was tested for its intrinsic activity against beta adrenergic receptor of isolated guinea pig atrial pairs" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL299175" "Tclin|Tclin|Tclin" "Homo sapiens" +"tretoquinol" 2723 "Adrenergic receptor beta" "GPCR" "P10608|P18090|P26255" "Adrb1|Adrb2|Adrb3" "ADRB1_RAT|ADRB2_RAT|ADRB3_RAT" 7 "Ki" "Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat cerebral cortical membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL299175" "Rattus norvegicus" +"tretoquinol" 2723 "Thromboxane A2 receptor" "GPCR" "P21731" "TBXA2R" "TA2R_HUMAN" 6.35 "IC50" "Inhibitory concentration against radioligand [3H]SQ-29,548 (5 nM) binding to TP receptors in human platelets" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL299175" "Tclin" "Homo sapiens" +"tretoquinol" 2723 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 7.670195478 "Ki" "PDSP" "Tclin" "Homo sapiens" +"tretoquinol" 2723 "Beta-1 adrenergic receptor" "GPCR" "B0FL73" "ADRB1" "B0FL73_CAVPO" 6.76 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL299175" "Cavia porcellus" +"tretoquinol" 2723 "Beta-2 adrenergic receptor" "GPCR" "Q8K4Z4" "Adrb2" "ADRB2_CAVPO" 7.58 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL299175" "Cavia porcellus" +"triamcinolone" 2725 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 7.585026652 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1451" "AGONIST" "Tclin" "Homo sapiens" +"triamcinolone" 2725 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"triamcinolone" 2725 "Annexin A1" "Cytosolic other" "P04083" "ANXA1" "ANXA1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"triamcinolone acetonide" 2726 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 9.3 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1504" "AGONIST" "Tclin" "Homo sapiens" +"triamcinolone acetonide" 2726 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 7.638272164 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"triamcinolone acetonide" 2726 "Annexin A1" "Cytosolic other" "P04083" "ANXA1" "ANXA1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"triamcinolone diacetate" 2727 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action; CHEMBL2034; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200449" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200449" "AGONIST" "Tclin" "Homo sapiens" +"triamterene" 2728 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"triamterene" 2728 "Caspase-1" "Enzyme" "P29466" "CASP1" "CASP1_HUMAN" 5.436163081 "IC50" "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"triamterene" 2728 "Cathepsin G" "Enzyme" "P08311" "CTSG" "CATG_HUMAN" 5.130006 "IC50" "DRUGMATRIX: Protease, Cathepsin G enzyme inhibition (substrate: Suc-Ala-Ala-Pro-Phe-AMC)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"triamterene" 2728 "Pteridine reductase 1" "Enzyme" "Q01782" "PTR1" "PTR1_LEIMA" 5.47 "Ki" "Inhibition of Leishmania major recombinant PTR1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL585" "Leishmania major" +"triamterene" 2728 "Solute carrier family 12 member 1" "Transporter" "Q13621" "SLC12A1" "S12A1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"triamterene" 2728 "Amiloride-sensitive sodium channel, ENaC" "Ion channel" "P37088|P51168|P51170" "SCNN1A|SCNN1B|SCNN1G" "SCNNA_HUMAN|SCNNB_HUMAN|SCNNG_HUMAN" 5.300000191 "IC50" "Mechanism of Action; CHEMBL2107836; PROTEIN COMPLEX" "IUPHAR" "~" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4329" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL585" "BLOCKER" "Tclin|Tclin|Tclin" "Homo sapiens" +"triazolam" 2729 "Platelet-activating factor receptor" "GPCR" "P25105" "PTAFR" "PTAFR_HUMAN" 5.87948751449585 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"triazolam" 2729 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 4.27 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"triazolam" 2729 "GABA-A receptor alpha-5/beta-3/gamma-2" "Ion channel" "P18507|P28472|P31644" "GABRA5|GABRB3|GABRG2" "GBRA5_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 9.02 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL646" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"triazolam" 2729 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 9.1549 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL646" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"triazolam" 2729 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRB3|GABRG2" "GBRA1_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 9.0969 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL646" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"triazolam" 2729 "GABA-A receptor alpha-2/beta-3/gamma-2" "Ion channel" "P18507|P28472|P47869" "GABRA2|GABRB3|GABRG2" "GBRA2_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 9.2291 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL646" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"triazolam" 2729 "GABA A receptor alpha-3/beta-2/gamma-2" "Ion channel" "P18507|P34903|P47870" "GABRA3|GABRB2|GABRG2" "GBRA3_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 8.8761 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL646" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"triazolam" 2729 "GABA-A receptor alpha-3/beta-3/gamma-2" "Ion channel" "P18507|P28472|P34903" "GABRA3|GABRB3|GABRG2" "GBRA3_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 8.8447 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL646" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"triazolam" 2729 "GABA A receptor alpha-3/beta-2/gamma-3" "Ion channel" "P34903|P47870|Q99928" "GABRA3|GABRB2|GABRG3" "GBRA3_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" 8.1079 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL646" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"triazolam" 2729 "GABA-A receptor alpha-1/beta-2/gamma-3" "Ion channel" "P14867|P47870|Q99928" "GABRA1|GABRB2|GABRG3" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" 8.6383 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL646" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"triazolam" 2729 "GABA A receptor alpha-5/beta-2/gamma-2" "Ion channel" "P18507|P31644|P47870" "GABRA5|GABRB2|GABRG2" "GBRA5_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 9.2218 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL646" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"triazolam" 2729 "GABA A receptor alpha-5/beta-2/gamma-3" "Ion channel" "P31644|P47870|Q99928" "GABRA5|GABRB2|GABRG3" "GBRA5_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" 8.699 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL646" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"triazolam" 2729 "GABA-A receptor; anion channel" "Ion channel" "O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14" "Gabra1|Gabra2|Gabra3|Gabra4|Gabra5|Gabra6|Gabrb1|Gabrb2|Gabrb3|Gabrd|Gabre|Gabrg1|Gabrg2|Gabrg3|Gabrp|Gabrq" "GBRA1_RAT|GBRA2_RAT|GBRA3_RAT|GBRA4_RAT|GBRA5_RAT|GBRA6_RAT|GBRB1_RAT|GBRB2_RAT|GBRB3_RAT|GBRD_RAT|GBRE_RAT|GBRG1_RAT|GBRG2_RAT|GBRG3_RAT|GBRP_RAT|Q91ZM7_RAT" 9.1 "Ki" "Binding affinity for Diazepam sensitive (DS) isoform of the benzodiazepine (Bz) binding site on GABAA receptors" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL646" "Rattus norvegicus" +"triazolam" 2729 "Cholecystokinin receptor type A" "GPCR" "P30551" "Cckar" "CCKAR_RAT" 4.41 "IC50" "Displacement of [125I]CCK from Cholecystokinin receptor of rat pancreas" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL646" "Rattus norvegicus" +"triazolam" 2729 "GABA-A receptor" "Ion channel" "O14764|P14867|P18505|P18507|P28472|P31644|P34903|P47869|P47870|P48169|Q16445|Q8N1C3|Q99928" "GABRA1|GABRA2|GABRA3|GABRA4|GABRA5|GABRA6|GABRB1|GABRB2|GABRB3|GABRD|GABRG1|GABRG2|GABRG3" "GBRA1_HUMAN|GBRA2_HUMAN|GBRA3_HUMAN|GBRA4_HUMAN|GBRA5_HUMAN|GBRA6_HUMAN|GBRB1_HUMAN|GBRB2_HUMAN|GBRB3_HUMAN|GBRD_HUMAN|GBRG1_HUMAN|GBRG2_HUMAN|GBRG3_HUMAN" 9.10000038146973 "Ki" "Mechanism of Action; CHEMBL2093872; PROTEIN COMPLEX GROUP" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7313" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL646" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"triazolam" 2729 "GABA A receptor alpha-5/beta-3/gamma-3" "Ion channel" "P28472|P31644|Q99928" "GABRA5|GABRB3|GABRG3" "GBRA5_HUMAN|GBRB3_HUMAN|GBRG3_HUMAN" 8.699 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL646" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"trichlormethiazide" 2733 "Solute carrier family 12 member 3" "Transporter" "P55017" "SLC12A3" "S12A3_HUMAN" 7 "A2" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1054" "INHIBITOR" "Tclin" "Homo sapiens" +"trichlormethiazide" 2733 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 7.04 "Ki" "Inhibition of human recombinant full length CA2 by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1054" "Tclin" "Homo sapiens" +"trichlormethiazide" 2733 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 6.19 "Ki" "Inhibition of mouse recombinant full length CA13 by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1054" "Mus musculus" +"trichlormethiazide" 2733 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 6.51 "Ki" "Inhibition of human recombinant CA12 catalytic domain by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1054" "Tclin" "Homo sapiens" +"trichlormethiazide" 2733 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 6.35 "Ki" "Inhibition of human recombinant full length CA4 by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1054" "Tclin" "Homo sapiens" +"trichlormethiazide" 2733 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 6.12 "Ki" "Inhibition of human recombinant full length CA5A by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1054" "Tclin" "Homo sapiens" +"trichlormethiazide" 2733 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 5.46 "Ki" "Inhibition of human recombinant full length CA14 by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1054" "Tclin" "Homo sapiens" +"trichlormethiazide" 2733 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 8.1 "Ki" "Inhibition of human recombinant full length CA7 by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1054" "Tclin" "Homo sapiens" +"trichlormethiazide" 2733 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 7.06 "Ki" "Inhibition of human recombinant CA9 catalytic domain by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1054" "Tclin" "Homo sapiens" +"trichlormethiazide" 2733 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 6.46 "Ki" "Inhibition of human recombinant full length CA1 by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1054" "Tclin" "Homo sapiens" +"trichlormethiazide" 2733 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 6.87 "Ki" "Inhibition of human recombinant full length CA5B by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1054" "Tclin" "Homo sapiens" +"trichlormethiazide" 2733 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 5.61 "Ki" "Inhibition of human recombinant full length CA6 by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1054" "Tclin" "Homo sapiens" +"triclabendazole" 2734 "Cruzipain" "Enzyme" "P25779" "CYSP_TRYCR" 4.82 "IC50" "Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in absence of Triton X-100" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1086440" "Trypanosoma cruzi" +"triclabendazole" 2734 "Fasciola species" "Parasite" "active against the immature and mature worms of Fasciola hepatica and Fasciola gigantica" "DRUG LABEL" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/208711s000lbl.pdf" "OTHER" +"triclofos" 2735 "GABA-A receptor; anion channel" "Ion channel" "O00591|O14764|P14867|P18505|P18507|P28472|P31644|P34903|P47869|P47870|P48169|P78334|Q16445|Q8N1C3|Q99928|Q9UN88" "GABRA1|GABRA2|GABRA3|GABRA4|GABRA5|GABRA6|GABRB1|GABRB2|GABRB3|GABRD|GABRE|GABRG1|GABRG2|GABRG3|GABRP|GABRQ" "GBRA1_HUMAN|GBRA2_HUMAN|GBRA3_HUMAN|GBRA4_HUMAN|GBRA5_HUMAN|GBRA6_HUMAN|GBRB1_HUMAN|GBRB2_HUMAN|GBRB3_HUMAN|GBRD_HUMAN|GBRE_HUMAN|GBRG1_HUMAN|GBRG2_HUMAN|GBRG3_HUMAN|GBRP_HUMAN|GBRT_HUMAN" "Mechanism of Action; CHEMBL2093872; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200789" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200789" "POSITIVE MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"tridihexethyl" 2737 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" "Mechanism of Action; CHEMBL245; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200771" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200771" "ANTAGONIST" "Tclin" "Homo sapiens" +"tridihexethyl" 2737 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "Mechanism of Action; CHEMBL216; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200771" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200771" "ANTAGONIST" "Tclin" "Homo sapiens" +"trientine" 2738 "copper" "Inorganic material" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/6121964" "http://www.ncbi.nlm.nih.gov/pubmed/6121964" "CHELATING AGENT" +"trientine" 2738 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 4.46 "Ki" "Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL609" "Tclin" "Homo sapiens" +"trientine" 2738 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 4 "Ki" "Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL609" "Tclin" "Homo sapiens" +"trientine" 2738 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 4.42 "Ki" "Inhibition of human carbonic anhydrase 5A by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL609" "Tclin" "Homo sapiens" +"trientine" 2738 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 4.31 "Ki" "Inhibition of human carbonic anhydrase 5B by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL609" "Tclin" "Homo sapiens" +"trientine" 2738 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 4.32 "Ki" "Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL609" "Tclin" "Homo sapiens" +"trientine" 2738 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 4.19 "Ki" "Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL609" "Tclin" "Homo sapiens" +"trientine" 2738 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 4.92 "Ki" "Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL609" "Tclin" "Homo sapiens" +"trientine" 2738 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 4.35 "Ki" "Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL609" "Tclin" "Homo sapiens" +"trientine" 2738 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 4.28 "Ki" "Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL609" "Mus musculus" +"trientine" 2738 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 4.24 "Ki" "Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL609" "Tclin" "Homo sapiens" +"trientine" 2738 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 4.41 "Ki" "Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL609" "Tclin" "Homo sapiens" +"trientine" 2738 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 4.23 "Ki" "Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL609" "Mus musculus" +"trientine" 2738 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 4.37 "Ki" "Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL609" "Tclin" "Homo sapiens" +"trifluoperazine" 2740 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.619788646698 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"trifluoperazine" 2740 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.84883451461792 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"trifluoperazine" 2740 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.25084495544434 "Ki" "PDSP" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"trifluoperazine" 2740 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 6.53640556335449 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"trifluoperazine" 2740 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.37724351882935 "Ki" "PDSP" "=" "ANTAGONIST" "Tchem" "Homo sapiens" +"trifluoperazine" 2740 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.99956607818604 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"trifluoperazine" 2740 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.40726804733276 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"trifluoperazine" 2740 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.78621673583984 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"trifluoperazine" 2740 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.84096813201904 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL422" "ANTAGONIST" "Tclin" "Homo sapiens" +"trifluoperazine" 2740 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.18462133407593 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"trifluoperazine" 2740 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.02227640151978 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"trifluoperazine" 2740 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=214" "ANTAGONIST" "Tclin" "Homo sapiens" +"trifluoperazine" 2740 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=214" "ANTAGONIST" "Tclin" "Homo sapiens" +"trifluoperazine" 2740 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=214" "ANTAGONIST" "Tclin" "Homo sapiens" +"trifluoperazine" 2740 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.292361705 "Ki" "DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"trifluoperazine" 2740 "Trypanothione reductase" "Enzyme" "P28593" "TPR" "TYTR_TRYCR" 4.64 "Ki" "Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase (linear competitive type)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL422" "Trypanosoma cruzi" +"trifluoperazine" 2740 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.19 "Ki" "Concentration giving half of the maximal ATPase activity calculated for the high-affinity binding site of the CHO P-Glycoprotein (P-gp) in two-affinity model" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL422" "Tchem" "Homo sapiens" +"trifluoperazine" 2740 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2a|Htr2b|Htr2c" "5HT2A_RAT|5HT2B_RAT|5HT2C_RAT" 8.98 "Kd" "Compound was tested for its effect on 5-hydroxytryptamine 2 receptor saturation analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL422" "Rattus norvegicus" +"trifluoperazine" 2740 "Pleiotropic ABC efflux transporter of multiple drugs" "Transporter" "P33302" "PDR5" "PDR5_YEAST" 5.85 "IC50" "Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL422" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"trifluoperazine" 2740 "Emopamil-binding protein-like" "Unclassified" "Q9BY08" "EBPL" "EBPL_HUMAN" 8.41 "Ki" "Binding affinity to emopamil binding protein (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL422" "Tchem" "Homo sapiens" +"trifluoperazine" 2740 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.82 "Ki" "Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL422" "Tclin" "Homo sapiens" +"trifluoperazine" 2740 "C-8 sterol isomerase" "Enzyme" "P32352" "ERG2" "ERG2_YEAST" 6.3 "Ki" "Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL422" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"trifluoperazine" 2740 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 7.53 "Ki" "The compound was tested for its binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]WB-4101 radioligand in rat cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL422" "Rattus norvegicus" +"trifluoperazine" 2740 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.3 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL422" "Tclin|Tclin|Tclin" "Homo sapiens" +"trifluoperazine" 2740 "NS3" "Enzyme" "A3EZI9" "NS3" "A3EZI9_9HEPC" 6.15 "IC50" "Inhibitory concentration against hepatitis C virus helicase; range 0.6-0.7" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL422" "Hepatitis C virus" +"trifluoperazine" 2740 "DNA-dependent protein kinase catalytic subunit" "Kinase" "P78527" "PRKDC" "PRKDC_HUMAN" 4 "IC50" "Inhibition of DNA-PK in human U1810 cells after 30 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL422" "Tchem" "Homo sapiens" +"trifluoperazine" 2740 "3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase" "Enzyme" "Q15125" "EBP" "EBP_HUMAN" 8.1 "Ki" "Affinity for human EMP expressed in ERG2 deficient strain of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL422" "Tchem" "Homo sapiens" +"trifluoperazine" 2740 "Beta-glucuronidase" "Enzyme" "P06760" "Gusb" "BGLR_RAT" 5.11 "IC50" "Inhibitory effect of compound on the release of Beta-glucuronidase in rat neutrophils stimulated with fMLP/CB" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL422" "Rattus norvegicus" +"trifluoperazine" 2740 "Calmodulin" "Cytosolic other" "P0DP23|P0DP24|P0DP25" "CALM1|CALM2|CALM3" "CALM1_HUMAN|CALM2_HUMAN|CALM3_HUMAN" 6 "Kd" "Binding affinity to calmodulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL422" "Tclin" "Homo sapiens" +"trifluoperazine" 2740 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.39 "Ki" "Binding affinity towards 5-hydroxytryptamine 1A receptor by displacing [3H]WB-4101 from rat hippocampus" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL422" "Rattus norvegicus" +"trifluoperazine" 2740 "Lysozyme C-1" "Enzyme" "P00697" "Lyz1" "LYSC1_RAT" 5.05 "IC50" "Inhibitory effect of compound on the release of lysozyme in rat neutrophils stimulated with fMLP/CB" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL422" "Rattus norvegicus" +"trifluoperazine" 2740 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 9.27 "Kd" "Compound was tested for its effect on dopamine saturation analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL422" "Rattus norvegicus" +"trifluperidol" 2741 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.698970004 "Ki" "PDSP" "Tclin" "Homo sapiens" +"trifluperidol" 2741 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 9.455931956 "Ki" "PDSP" "Tchem" "Homo sapiens" +"trifluperidol" 2741 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.455931956 "Ki" "PDSP" "Tclin" "Homo sapiens" +"trifluperidol" 2741 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 9.08 "Ki" "Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15023" "Tclin" "Homo sapiens" +"trifluperidol" 2741 "C-8 sterol isomerase" "Enzyme" "P32352" "ERG2" "ERG2_YEAST" 9.82 "Ki" "Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15023" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"trifluperidol" 2741 "3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase" "Enzyme" "Q15125" "EBP" "EBP_HUMAN" 6.78 "Ki" "Affinity for human EMP expressed in ERG2 deficient strain of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15023" "Tchem" "Homo sapiens" +"trifluperidol" 2741 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q9R0C9" "Sigmar1" "SGMR1_RAT" 9.1 "Ki" "Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15023" "Rattus norvegicus" +"triflupromazine" 2742 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.39793968200684 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"triflupromazine" 2742 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.55284214019775 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL570" "ANTAGONIST" "Tclin" "Homo sapiens" +"triflupromazine" 2742 "Trypanothione reductase" "Enzyme" "P28593" "TPR" "TYTR_TRYCR" 4.52 "Ki" "Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase (linear competitive type)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL570" "Trypanosoma cruzi" +"triflupromazine" 2742 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 4.8 "Ki" "Concentration giving half of the maximal ATPase activity calculated for the high-affinity binding site of the CHO P-Glycoprotein (P-gp) in two-affinity model" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL570" "Tchem" "Homo sapiens" +"triflupromazine" 2742 "Pleiotropic ABC efflux transporter of multiple drugs" "Transporter" "P33302" "PDR5" "PDR5_YEAST" 5.31 "IC50" "Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL570" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"triflupromazine" 2742 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 5.13 "IC50" "Inhibition of Equine serum BChE using butyrylthiocholine iodide as a substrate after 20 mins by Ellman's assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL570" "Equus caballus" +"trifluridine" 2743 "Thymidine kinase" "Kinase" "A3RLP8" "UL23" "A3RLP8_CHV1" 5.7 "IC50" "Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1129" "Cercopithecine herpesvirus 1" +"trifluridine" 2743 "Thymidylate kinase" "Kinase" "P9WKE1" "tmk" "KTHY_MYCTU" 4.01 "Ki" "Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1129" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"trihexyphenidyl" 2745 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.346787486 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"trihexyphenidyl" 2745 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.61086937 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"trihexyphenidyl" 2745 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.58 "IC50" "Evaluated for its binding affinity at human muscarinic receptor m3 by the displacement of [3H]NMS binding using membranes from transfected chinese hamster ovarian cell" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1092" "Tclin" "Homo sapiens" +"trihexyphenidyl" 2745 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.17 "IC50" "Evaluated for its binding affinity at human muscarinic receptor m4 by the displacement of [3H]NMS binding using membranes from transfected chinese hamster ovarian cell" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1092" "Tclin" "Homo sapiens" +"trihexyphenidyl" 2745 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.99 "IC50" "Evaluated for its binding affinity at human muscarinic receptor m5 by the displacement of [3H]NMS binding using membranes from transfected chinese hamster ovarian cell" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1092" "Tclin" "Homo sapiens" +"trihexyphenidyl" 2745 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.73 "IC50" "Evaluated for its binding affinity at human muscarinic receptor m2 by displacement of [3H]NMS binding using membranes from transfected chinese hamster ovarian cell" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1092" "Tclin" "Homo sapiens" +"trihexyphenidyl" 2745 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 8.89 "IC50" "Evaluated for its binding affinity at human muscarinic receptor m1 by displacement of [3H]NMS binding using membranes in transfected chinese hamster ovarian cell" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1092" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1092" "ANTAGONIST" "Tclin" "Homo sapiens" +"trilostane" 2746 "3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 2" "Enzyme" "P26439" "HSD3B2" "3BHS2_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB01108" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200907" "INHIBITOR" "Tclin" "Homo sapiens" +"alimemazine" 2749 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "Mechanism of Action; CHEMBL231; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL829" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL829" "ANTAGONIST" "Tclin" "Homo sapiens" +"alimemazine" 2749 "FAD-linked sulfhydryl oxidase ALR" "Enzyme" "P55789" "GFER" "ALR_HUMAN" 5.90000009536743 "AC50" "PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL829" "Tchem" "Homo sapiens" +"trimetazidine" 2750 "Carnitine O-palmitoyltransferase 1, muscle isoform" "Enzyme" "Q63704" "Cpt1b" "CPT1B_RAT" 5.89 "IC50" "Inhibition of CPT1A in rat myocardium" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL203266" "Rattus norvegicus" +"trimethadione" 2751 "Voltage-dependent T-type calcium channel subunit alpha-1G" "Ion channel" "O43497" "CACNA1G" "CAC1G_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL695" "BLOCKER" "Tclin" "Homo sapiens" +"trimetaphan" 2752 "Neuronal acetylcholine receptor; alpha3/beta4" "Ion channel" "P30926|P32297" "CHRNA3|CHRNB4" "ACHA3_HUMAN|ACHB4_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1245" "ANTAGONIST" "Tclin|Tclin" "Homo sapiens" +"trimetaphan" 2752 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P36544" "CHRNA7" "ACHA7_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"trimetaphan" 2752 "Neuronal acetylcholine receptor subunit alpha-10" "Ion channel" "Q9GZZ6" "CHRNA10" "ACH10_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"trimetaphan" 2752 "Nicotinic acetylcholine receptor alpha 5 subunit" "Ion channel" "A9XFY4" "nAChRalpha5" "A9XFY4_MUSDO" 5.56 "Ki" "Displacement of [3H]alpha-bungarotoxin from nAChR in Musca domestica (house fly) head membrane after 60 min by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1245" "Musca domestica" +"trimetaphan" 2752 "Acetylcholine receptor subunit alpha" "Ion channel" "P02710" "CHRNA1" "ACHA_TORCA" 5.15 "IC50" "Displacement of [3H]PCP from nAChR in Torpedo nobiliana electric organs membranes in presence of 100 uM carbachol by scintillation counting method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1245" "Torpedo californica" +"trimethoprim" 2755 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "P13922" "DRTS_PLAFK" 7.99 "Ki" "Inhibitory activity against wild-type dihydrofolate reductase (S108N DHFR)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL22" "Plasmodium falciparum" +"trimethoprim" 2755 "Dihydrofolate reductase" "Enzyme" "P16184" "DYR_PNECA" 6.82 "Ki" "Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL22" "Pneumocystis carinii" +"trimethoprim" 2755 "Dihydrofolate reductase" "Enzyme" "P0A017" "folA" "DYR_STAAU" 8.92 "Ki" "Inhibition of Staphylococcus aureus DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric analysis in presence of NADPH" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL22" "Staphylococcus aureus" +"trimethoprim" 2755 "Dihydrofolate reductase" "Enzyme" "P00381" "folA" "DYR_LACCA" 6.88 "Ki" "Inhibitory activity against Lactobacillus casei dihydrofolate reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL22" "Lactobacillus casei" +"trimethoprim" 2755 "Dihydrofolate reductase" "Enzyme" "P04174" "folA" "DYR_NEIGO" 6.35 "IC50" "Inhibitory activity against dihydrofolate reductase (DHFR) of Neisseria gonorrhoea" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL22" "Neisseria gonorrhoeae" +"trimethoprim" 2755 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "Q27713" "DRTS_PLABA" 6.92 "IC50" "In vitro inhibition of dihydrofolate reductase of Plasmodium berghei" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL22" "Plasmodium berghei (strain Anka)" +"trimethoprim" 2755 "Dihydrofolate reductase" "Enzyme" "P00374" "DHFR" "DYR_HUMAN" 8 "Ki" "Inhibition of recombinant Dihydrofolate reductase from humans." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL22" "Tclin" "Homo sapiens" +"trimethoprim" 2755 "Dihydrofolate reductase" "Enzyme" "P0ABQ4" "folA" "DYR_ECOLI" 5.57 "IC50" "Inhibition of dihydrofolate reductase from Toxoplasma gondii." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL22" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL22" "INHIBITOR" "Escherichia coli (strain K12)" +"trimethoprim" 2755 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "Q07422" "DRTS_TOXGO" 8.14 "IC50" "Inhibitory activity against recombinant Dihydrofolate reductase from Toxoplasma gondii (tgDHFR)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL22" "Toxoplasma gondii" +"trimethoprim" 2755 "Dihydrofolate reductase" "Enzyme" "P07807" "DFR1" "DYR_YEAST" 4.92 "IC50" "Inhibitory activity against Pneumocystis carinii dihydrofolate reductase." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL22" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"trimethoprim" 2755 "Dihydrofolate reductase" "Enzyme" "P22906" "DFR1" "DYR_CANAX" 8.66 "IC50" "Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Escherichia coli" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL22" "Candida albicans" +"trimethoprim" 2755 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.25 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL22" "Tchem" "Homo sapiens" +"trimethoprim" 2755 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Unclassified" "Q27552" "DHFR-TS" "Q27552_CRYPV" 5.4 "IC50" "Inhibition of Cryptosporidium parvum recombinant DHFR using dihydrofolate as substrate incubated for 5 min prior to substrate addition by spectrophotometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL22" "Cryptosporidium parvum" +"trimethoprim" 2755 "Dihydrofolate reductase" "Enzyme" "P00375" "Dhfr" "DYR_MOUSE" 6.3 "Ki" "Competitive inhibition of mouse DHFR by enzyme kinetics assay in presence of variable DHFA level" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL22" "Mus musculus" +"trimethoprim" 2755 "Dihydrofolate reductase" "Enzyme" "Q920D2" "Dhfr" "DYR_RAT" 4.84 "Ki" "Inhibition of rat liver DHFR by enzyme kinetics assay in presence of variable DHFA level" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL22" "Rattus norvegicus" +"trimethoprim" 2755 "Dihydrofolate reductase" "Enzyme" "Q81R22" "dfrA" "Q81R22_BACAN" 4.62 "Ki" "Inhibition of wild type Bacillus anthracis recombinant DHFR" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL22" "Bacillus anthracis" +"trimethoprim" 2755 "Dihydrofolate reductase" "Enzyme" "Q59487" "folA" "DYR_LACLA" 6.35 "IC50" "In vitro inhibition of dihydrofolate reductase enzymes in Neisseria gonorrhoeae" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL22" "Lactococcus lactis subsp. lactis (strain IL1403)" +"trimethoprim" 2755 "Dihydrofolate reductase" "Unclassified" "B0BL08" "dfrA17" "B0BL08_ECOLX" 8.89 "Ki" "Binding affinity for Escherichia coli Dihydrofolate reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL22" "Escherichia coli" +"trimethoprim" 2755 "Dihydrofolate reductase type 1" "Unclassified" "P00382" "dhfrI" "DYR1_ECOLX" 6.3 "IC50" "Inhibitory activity to dihydrofolate reductase in Escherichia coli" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL22" "Escherichia coli" +"trimethoprim" 2755 "Dihydrofolate reductase" "Enzyme" "O30463" "folA" "O30463_MYCAV" 6.72 "IC50" "Inhibitory activity against DHFR (Dihydrofolate reductase) from Mycobacterium avium" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL22" "Mycobacterium avium" +"trimethoprim" 2755 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "Q27783" "DRTS_TRYBB" 8 "Ki" "WOMBAT-PK" "=" "Trypanosoma brucei brucei" +"trimethoprim" 2755 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "Q27793" "DRTS_TRYCR" 6 "Ki" "WOMBAT-PK" "=" "Trypanosoma cruzi" +"trimethoprim" 2755 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "P07382" "DRTS_LEIMA" 6.9208 "Ki" "WOMBAT-PK" "=" "Leishmania major" +"trimethoprim" 2755 "Dihydrofolate reductase" "Unclassified" "Q8Z9J9" "folA" "Q8Z9J9_SALTI" 8.08 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL22" "Salmonella typhi" +"trimetrexate" 2757 "Folylpolyglutamate synthase, mitochondrial" "Enzyme" "Q05932" "FPGS" "FOLC_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"trimetrexate" 2757 "Dihydrofolate reductase" "Enzyme" "P16184" "DYR_PNECA" 9.15 "Ki" "Binding affinity was reported with purified recombinant Pneumocystis carinii Dihydrofolate reductase" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL119" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL119" "INHIBITOR" "Pneumocystis carinii" +"trimetrexate" 2757 "Dihydrofolate reductase" "Enzyme" "P00381" "folA" "DYR_LACCA" 7.57 "IC50" "Inhibitory activity against Dihydrofolate reductase from Lactobacillus casei" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL119" "Lactobacillus casei" +"trimetrexate" 2757 "Dihydrofolate reductase" "Enzyme" "P00374" "DHFR" "DYR_HUMAN" 8.85 "Ki" "Inhibition of human recombinant Dihydrofolate reductase enzyme" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL119" "Tclin" "Homo sapiens" +"trimetrexate" 2757 "Dihydrofolate reductase" "Enzyme" "P0ABQ4" "folA" "DYR_ECOLI" 8 "IC50" "Inhibition of dihydrofolate reductase in Toxoplasma gondii." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL119" "Escherichia coli (strain K12)" +"trimetrexate" 2757 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "Q07422" "DRTS_TOXGO" 8.29 "IC50" "Inhibitory activity against Toxoplasma gondii (tg) Dihydrofolate reductase (DHFR)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL119" "Toxoplasma gondii" +"trimetrexate" 2757 "Dihydrofolate reductase" "Enzyme" "P00375" "Dhfr" "DYR_MOUSE" 10.22 "Ki" "Inhibitory constant for murine Wild-type dihydrofolate reductase (DHFR)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL119" "Mus musculus" +"trimetrexate" 2757 "Dihydrofolate reductase" "Enzyme" "P07807" "DFR1" "DYR_YEAST" 7.38 "IC50" "Inhibitory activity against Pneumocystis carinii dihydrofolate reductase." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL119" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"trimetrexate" 2757 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "Q27793" "DRTS_TRYCR" 8.18 "Ki" "Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL119" "Trypanosoma cruzi" +"trimetrexate" 2757 "Dihydrofolate reductase" "Enzyme" "P22906" "DFR1" "DYR_CANAX" 8.72 "Ki" "Inhibition of Dihydrofolate reductase enzyme from Candida albicans" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL119" "Candida albicans" +"trimetrexate" 2757 "Dihydrofolate reductase" "Enzyme" "Q920D2" "Dhfr" "DYR_RAT" 8.52 "IC50" "Inhibitory activity against Dihydrofolate reductase from rat liver" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL119" "Rattus norvegicus" +"trimetrexate" 2757 "Dihydrofolate reductase" "Enzyme" "O30463" "folA" "O30463_MYCAV" 8.82 "IC50" "Inhibitory concentration against Mycobacterium avium dihydrofolate reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL119" "Mycobacterium avium" +"trimetrexate" 2757 "Dihydrofolate reductase" "Unclassified" "B0BL08" "dfrA17" "B0BL08_ECOLX" 8.15 "IC50" "Inhibitory activity against Escherichia coli (ec) Dihydrofolate reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL119" "Escherichia coli" +"trimipramine" 2758 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.42250823974609 "Ki" "PDSP" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7317" "INHIBITOR" "Tclin" "Homo sapiens" +"trimipramine" 2758 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.85387229919434 "Ki" "PDSP" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"trimipramine" 2758 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.82681369781494 "Ki" "PDSP" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7317" "INHIBITOR" "Tclin" "Homo sapiens" +"trimipramine" 2758 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.56 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL644" "Tchem" "Homo sapiens" +"trimipramine" 2758 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.61 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7317" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL644" "INHIBITOR" "Tclin" "Homo sapiens" +"trioxsalen" 2759 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 6.132532512 "Ki" "DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"trioxsalen" 2759 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.90868484 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"trioxsalen" 2759 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 6.080398976 "IC50" "DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"triparanol" 2761 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 8.1 "Ki" "Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL187709" "Tclin" "Homo sapiens" +"triparanol" 2761 "C-8 sterol isomerase" "Enzyme" "P32352" "ERG2" "ERG2_YEAST" 8.7 "Ki" "Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL187709" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"triparanol" 2761 "3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase" "Enzyme" "Q15125" "EBP" "EBP_HUMAN" 7.96 "Ki" "Affinity for human EMP expressed in ERG2 deficient strain of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL187709" "Tchem" "Homo sapiens" +"tripelennamine" 2762 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.4 "IC50" "Inhibitory activity against human Histamine H1 receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1241" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1241" "ANTAGONIST" "Tclin" "Homo sapiens" +"triprolidine" 2763 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 9.9 "Kd" "Potency against histamine H1 receptor on guinea pig ileum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL855" "Cavia porcellus" +"triprolidine" 2763 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 9.9 "Ki" "GRAC: human H1 selective antagonist" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL855" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL855" "ANTAGONIST" "Tclin" "Homo sapiens" +"troglitazone" 2767 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 6.27 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408" "AGONIST" "Tclin" "Homo sapiens" +"troglitazone" 2767 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.078313525 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"troglitazone" 2767 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.531209738 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"troglitazone" 2767 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 6.013228266 "IC50" "DRUGMATRIX: Carbonic Anhydrase II enzyme inhibition (substrate: 4-Nitrophenyl acetate (4-NPA))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"troglitazone" 2767 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.397940009 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"troglitazone" 2767 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.527828853 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"troglitazone" 2767 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 5.69079582 "IC50" "DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde)" "DRUG MATRIX" "=" "Rattus norvegicus" +"troglitazone" 2767 "Mitogen-activated protein kinase 1" "Kinase" "P28482" "MAPK1" "MK01_HUMAN" 5.907279355 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"troglitazone" 2767 "Glycogen [starch] synthase, liver" "Enzyme" "P54840" "GYS2" "GYS2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"troglitazone" 2767 "Aldose reductase" "Enzyme" "P15121" "AKR1B1" "ALDR_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"troglitazone" 2767 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 3.2082 "Km" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"troglitazone" 2767 "Tyrosine-protein phosphatase non-receptor type 1" "Enzyme" "P18031" "PTPN1" "PTN1_HUMAN" 4.26 "IC50" "Inhibition of PTP1B" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408" "Tchem" "Homo sapiens" +"troglitazone" 2767 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 4.98 "Ki" "Uncompetitive inhibition of human MAOA expressed in Pichia pastoris" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408" "Tclin" "Homo sapiens" +"troglitazone" 2767 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 5.02 "Ki" "Uncompetitive inhibition of human MAOB expressed in Pichia pastoris" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408" "Tclin" "Homo sapiens" +"troglitazone" 2767 "UDP-glucuronosyltransferase 1-6" "Enzyme" "P19224" "UGT1A6" "UD16_HUMAN" 4.7 "Ki" "Inhibition of AZT glucuronidation by human recombinant UGT1A6" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408" "Tbio" "Homo sapiens" +"troglitazone" 2767 "Indoleamine 2,3-dioxygenase 2" "Enzyme" "Q8R0V5" "Ido2" "I23O2_MOUSE" 5.35 "IC50" "Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408" "Mus musculus" +"troglitazone" 2767 "Amine oxidase [flavin-containing] B" "Enzyme" "P19643" "Maob" "AOFB_RAT" 4.96 "Ki" "Uncompetitive inhibition of rat MAOB expressed in Pichia pastoris" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408" "Rattus norvegicus" +"troglitazone" 2767 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P28776" "Ido1" "I23O1_MOUSE" 4.21 "IC50" "Inhibition of mouse Ido1 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408" "Mus musculus" +"troglitazone" 2767 "Amine oxidase [flavin-containing] A" "Enzyme" "P21396" "Maoa" "AOFA_RAT" 5.32 "Ki" "Uncompetitive inhibition of rat MAOA expressed in Pichia pastoris" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408" "Rattus norvegicus" +"troglitazone" 2767 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 5.57000017166138 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408" "Tchem" "Homo sapiens" +"troglitazone" 2767 "Bile salt export pump" "Unclassified" "O70127" "Abcb11" "ABCBB_RAT" 4.97 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408" "Rattus norvegicus" +"tropicamide" 2774 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.46000003814697 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"tropicamide" 2774 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.167491087 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tropicamide" 2774 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.431798276 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tropicamide" 2774 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.522878745 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200604" "ANTAGONIST" "Tclin" "Homo sapiens" +"tropicamide" 2774 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.193820026 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tropicamide" 2774 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"tropicamide" 2774 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"tropisetron" 2775 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.586700236 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tropisetron" 2775 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.605723473 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tropisetron" 2775 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P36544" "CHRNA7" "ACHA7_HUMAN" 8.16 "Ki" "Inhibition constant against nicotinic acetylcholine receptor alpha7" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL56564" "Tchem" "Homo sapiens" +"tropisetron" 2775 "5-hydroxytryptamine receptor 3A" "Ion channel" "O70212" "HTR3A" "5HT3A_CAVPO" 7.52 "Kd" "Antagonist activity at 5HT3 receptor in spontaneously beating guinea pig right atrium assessed as inhibition of serotonin-induced maximum response by competitive binding assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL56564" "Cavia porcellus" +"tropisetron" 2775 "Serotonin 3 receptor (5HT3)" "Ion channel" "P23979|Q9JHJ5" "Htr3a|Htr3b" "5HT3A_MOUSE|5HT3B_MOUSE" 8.42 "Ki" "The binding affinity was measured for 5-hydroxytryptamine 3 receptor on NG 108-15 cell line of mouse neuroblastoma-glioma cells in presence of [3H]5 radioligand (in vitro)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL56564" "Mus musculus" +"tropisetron" 2775 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P17787|P43681" "CHRNA4|CHRNB2" "ACHA4_HUMAN|ACHB2_HUMAN" 4.26 "Ki" "In vitro Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 was determined" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL56564" "Tclin|Tclin" "Homo sapiens" +"tropisetron" 2775 "Acetylcholine receptor; alpha1/beta1/delta/gamma" "Ion channel" "P02708|P07510|P11230|Q07001" "CHRNA1|CHRNB1|CHRND|CHRNG" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN|ACHG_HUMAN" 4.57 "Ki" "In vitro Binding affinity towards alpha-1-beta-1-gamma-delta nAChR was determined" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL56564" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"tropisetron" 2775 "Serotonin 3 (5-HT3) receptor" "Ion channel" "P35563|Q9JJ16" "Htr3a|Htr3b" "5HT3A_RAT|5HT3B_RAT" 8.89 "Ki" "Inhibitory activity against 5-hydroxytryptamine 3 receptor in rat cortical membranes using [3H]- 1-Methyl-1H-indazole-3-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide as a radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL56564" "Rattus norvegicus" +"tropisetron" 2775 "Neuronal acetylcholine receptor subunit alpha-3" "Ion channel" "P32297" "CHRNA3" "ACHA3_HUMAN" 4.8 "Ki" "In vitro Binding affinity towards alpha-3 (PC12) nAChR was determined" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL56564" "Tclin" "Homo sapiens" +"tropisetron" 2775 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "Q05941" "Chrna7" "ACHA7_RAT" 8 "EC50" "Activation responses to that evoked by ACh at human Nicotinic acetylcholine receptor alpha-7 expressed in xenopus oocytes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL56564" "Rattus norvegicus" +"tropisetron" 2775 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P49582" "Chrna7" "ACHA7_MOUSE" 8.16 "Ki" "In vitro Binding affinity towards alpha-7 nAChR was determined" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL56564" "Mus musculus" +"tropisetron" 2775 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.28 "Ki" "Inhibition constant against 5-hydroxytryptamine 1A receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL56564" "Tclin" "Homo sapiens" +"tropisetron" 2775 "5-hydroxytryptamine receptor 3B" "Ion channel" "O95264" "HTR3B" "5HT3B_HUMAN" 8.8 "Ki" "GRAC: human 5-HT3B selective antagonist" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL56564" "Tchem" "Homo sapiens" +"tropisetron" 2775 "5-hydroxytryptamine receptor 4" "GPCR" "Q62758" "Htr4" "5HT4R_RAT" 7.2 "Ki" "Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL56564" "Rattus norvegicus" +"tropisetron" 2775 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 6.9 "Ki" "Binding affinity towards 5-hydroxytryptamine 4 receptor in striatum membranes of guinea-pig brain was evaluated" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL56564" "Cavia porcellus" +"tropisetron" 2775 "5-hydroxytryptamine receptor 4" "GPCR" "Q13639" "HTR4" "5HT4R_HUMAN" 6.85 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"tropisetron" 2775 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 4.1 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=260" "ANTAGONIST" "Tclin" "Homo sapiens" +"tropisetron" 2775 "Glycine receptor subunit alpha-2" "Ion channel" "P23416" "GLRA2" "GLRA2_HUMAN" 4.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=260" "ANTAGONIST" "Tchem" "Homo sapiens" +"tropisetron" 2775 "Glycine receptor subunit beta" "Ion channel" "P48167" "GLRB" "GLRB_HUMAN" 5.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=260" "ANTAGONIST" "Tclin" "Homo sapiens" +"tropisetron" 2775 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 8.8 "Ki" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=260" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=260" "ANTAGONIST" "Tclin" "Homo sapiens" +"tropisetron" 2775 "5-hydroxytryptamine receptor 4" "Unclassified" "P97288" "Htr4" "5HT4R_MOUSE" 7.1 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=260" "ANTAGONIST" "Mus musculus" +"trospium" 2776 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1888176" "ANTAGONIST" "Tclin" "Homo sapiens" +"trospium" 2776 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"trospium" 2776 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"trospium" 2776 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" "Mechanism of Action; CHEMBL211; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1888176" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1888176" "ANTAGONIST" "Tclin" "Homo sapiens" +"trovafloxacin" 2777 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 4.306167567 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"trovafloxacin" 2777 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.395449967 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"trovafloxacin" 2777 "Topoisomerase IV" "Enzyme" "P0AFI2|P20083" "parC|parE" "PARC_ECOLI|PARE_ECOLI" "Mechanism of Action; CHEMBL2363076; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL428" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL428" "INHIBITOR" "Escherichia coli (strain K12)" +"trovafloxacin" 2777 "DNA gyrase" "Enzyme" "P0AES4|P0AES6" "gyrA|gyrB" "GYRA_ECOLI|GYRB_ECOLI" "Mechanism of Action; CHEMBL2311224; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL428" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL428" "INHIBITOR" "Escherichia coli (strain K12)" +"tryptophan" 2780 "Extracellular calcium-sensing receptor" "GPCR" "P41180" "CASR" "CASR_HUMAN" 4.4 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=717" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"tryptophan" 2780 "Probable G-protein coupled receptor 139" "Unclassified" "Q6DWJ6" "GPR139" "GP139_HUMAN" 4.59 "IC50" "Measured using a GTPγS assay in transfected COS7 cells." "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=717" "AGONIST" "Homo sapiens" +"tubocurarine" 2781 "5-hydroxytryptamine receptor 3A" "Ion channel" "P23979" "Htr3a" "5HT3A_MOUSE" 7.1 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2294" "ANTAGONIST" "Mus musculus" +"tubocurarine" 2781 "Neuronal acetylcholine receptor; alpha2/beta2" "Ion channel" "P17787|Q15822" "CHRNA2|CHRNB2" "ACHA2_HUMAN|ACHB2_HUMAN" 7.38 "IC50" "WOMBAT-PK" "=" "Tchem|Tclin" "Homo sapiens" +"tubocurarine" 2781 "Neuronal acetylcholine receptor; alpha4/beta4" "Ion channel" "P30926|P43681" "CHRNA4|CHRNB4" "ACHA4_HUMAN|ACHB4_HUMAN" 6.0655 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin" "Homo sapiens" +"tubocurarine" 2781 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P17787|P43681" "CHRNA4|CHRNB2" "ACHA4_HUMAN|ACHB2_HUMAN" 5.5786 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin" "Homo sapiens" +"tubocurarine" 2781 "Acetylcholine receptor" "Ion channel" "P02708|P11230|Q07001" "CHRNA1|CHRNB1|CHRND" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN" 7.6198 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1687" "ANTAGONIST" "Tclin|Tclin|Tclin" "Homo sapiens" +"tubocurarine" 2781 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 7.0604 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"tubocurarine" 2781 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.0132 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"tubocurarine" 2781 "Small conductance calcium-activated potassium channel protein 3" "Ion channel" "Q9UGI6" "KCNN3" "KCNN3_HUMAN" 4.5 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2294" "BLOCKER" "Tchem" "Homo sapiens" +"tubocurarine" 2781 "Small conductance calcium-activated potassium channel protein 1" "Ion channel" "Q92952" "KCNN1" "KCNN1_HUMAN" 4.6 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2294" "BLOCKER" "Tchem" "Homo sapiens" +"tubocurarine" 2781 "Serotonin 3 receptor (5HT3)" "Ion channel" "O95264|P46098" "HTR3A|HTR3B" "5HT3A_HUMAN|5HT3B_HUMAN" 4.5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2294" "ANTAGONIST" "Tchem|Tclin" "Homo sapiens" +"tubocurarine" 2781 "Small conductance calcium-activated potassium channel protein 2" "Ion channel" "Q9H2S1" "KCNN2" "KCNN2_HUMAN" 5.7 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2294" "BLOCKER" "Tchem" "Homo sapiens" +"tubocurarine" 2781 "Small conductance calcium-activated potassium channel protein 3" "Ion channel" "P70605" "Kcnn3" "KCNN3_RAT" 5.04 "Ki" "Displacement of [I125]apamine from Wistar rat recombinant SK3 channel expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1687" "Rattus norvegicus" +"tubocurarine" 2781 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.1 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1687" "Tchem" "Homo sapiens" +"tubocurarine" 2781 "GABA-A receptor; anion channel" "Ion channel" "O00591|O14764|P14867|P18505|P18507|P28472|P31644|P34903|P47869|P47870|P48169|P78334|Q16445|Q8N1C3|Q99928|Q9UN88" "GABRA1|GABRA2|GABRA3|GABRA4|GABRA5|GABRA6|GABRB1|GABRB2|GABRB3|GABRD|GABRE|GABRG1|GABRG2|GABRG3|GABRP|GABRQ" "GBRA1_HUMAN|GBRA2_HUMAN|GBRA3_HUMAN|GBRA4_HUMAN|GBRA5_HUMAN|GBRA6_HUMAN|GBRB1_HUMAN|GBRB2_HUMAN|GBRB3_HUMAN|GBRD_HUMAN|GBRE_HUMAN|GBRG1_HUMAN|GBRG2_HUMAN|GBRG3_HUMAN|GBRP_HUMAN|GBRT_HUMAN" 4.24 "IC50" "Displacement of [3H]GABA from gamma-aminobutyric-acid A (GABA-A) receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1687" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"tubocurarine" 2781 "Acetylcholine receptor subunit alpha" "Ion channel" "P02710" "CHRNA1" "ACHA_TORCA" 5.22 "IC50" "Displacement of [3H]PCP from nAChR in Torpedo nobiliana electric organs membranes in presence of 100 uM carbachol by scintillation counting method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1687" "Torpedo californica" +"tubocurarine" 2781 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 4.26 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1687" "Tchem" "Homo sapiens" +"tubocurarine" 2781 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.03 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1687" "Tchem" "Homo sapiens" +"tubocurarine" 2781 "Zinc-activated ligand-gated ion channel" "Ion channel" "Q401N2" "ZACN" "ZACN_HUMAN" 5.2 "IC50" "GRAC: human ZAC selective agonist" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1687" "Tchem" "Homo sapiens" +"tubocurarine" 2781 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "Q05941" "Chrna7" "ACHA7_RAT" 5.32 "Ki" "Binding affinity nicotinic acetylcholine receptor alpha-7 was evaluated by its ability to inhibit [3H]methyllycaconitine ([3H]-MLA) binding to rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1687" "Rattus norvegicus" +"tubocurarine" 2781 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P09483|P12390" "Chrna4|Chrnb2" "ACHA4_RAT|ACHB2_RAT" 5.01 "Ki" "Binding affinity for nicotinic acetylcholine receptor alpha4-beta2 was evaluated by its ability to inhibit [3H]NIC binding to rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1687" "Rattus norvegicus" +"tubocurarine" 2781 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P36544" "CHRNA7" "ACHA7_HUMAN" 5.51 "IC50" "GRAC: human AChR-alpha7 commonly used antagonist" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1687" "Tchem" "Homo sapiens" +"tubocurarine" 2781 "Nicotinic acetylcholine receptor alpha 5 subunit" "Ion channel" "A9XFY4" "nAChRalpha5" "A9XFY4_MUSDO" 5.73 "Ki" "Displacement of [3H]alpha-bungarotoxin from nAChR in Musca domestica (house fly) head membrane after 60 min by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1687" "Musca domestica" +"tubocurarine" 2781 "Acetylcholine receptor; alpha1/beta1/delta/gamma" "Ion channel" "P02708|P07510|P11230|Q07001" "CHRNA1|CHRNB1|CHRND|CHRNG" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN|ACHG_HUMAN" 7.09000015258789 "IC50" "GRAC: human AChR-alpha1 commonly used antagonist" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1687" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"tubocurarine" 2781 "Neuronal acetylcholine receptor; alpha3/beta4" "Ion channel" "P30926|P32297" "CHRNA3|CHRNB4" "ACHA3_HUMAN|ACHB4_HUMAN" 5.69999980926514 "IC50" "Inhibitory activity against nicotinic acetylcholine receptor alpha3-beta4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1687" "Tclin|Tclin" "Homo sapiens" +"tubocurarine" 2781 "Small conductance calcium-activated potassium channel protein 2" "Unclassified" "P70604" "Kcnn2" "KCNN2_RAT" 5.6 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2294" "BLOCKER" "Rattus norvegicus" +"tulobuterol" 2782 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/15212190" "AGONIST" "Tclin" "Homo sapiens" +"tulobuterol" 2782 "Beta-2 adrenergic receptor" "GPCR" "Q28044" "ADRB2" "ADRB2_BOVIN" 6.89 "Kd" "Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1159717" "Bos taurus" +"tyramine" 2784 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 4.59 "EC50" "Activity at SER3 receptor expressed in HEK293 cells assessed as increase in calcium by calcium imaging assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11608" "Tclin" "Homo sapiens" +"tyramine" 2784 "TyR1" "GPCR" "H9TVJ1" "H9TVJ1_9NEOP" 6.43 "EC50" "Agonist activity at Chilo suppressalis (rice stem borer) tyramine receptor TyR1 expressed in HEK293 cells assessed as reduction in forskolin-induced cAMP accumulation incubated for 20 min" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11608" "Chilo suppressalis" +"tyramine" 2784 "Serotonin (5-HT) receptor" "GPCR" "P08909|P14842|P19327|P28564|P28565|P30940|P30994|P31388|P32305|P35364|P35365|P35563|Q62758|Q9JJ16" "Htr1a|Htr1b|Htr1d|Htr1f|Htr2a|Htr2b|Htr2c|Htr3a|Htr3b|Htr4|Htr5a|Htr5b|Htr6|Htr7" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT|5HT2A_RAT|5HT2B_RAT|5HT2C_RAT|5HT3A_RAT|5HT3B_RAT|5HT4R_RAT|5HT5A_RAT|5HT5B_RAT|5HT6R_RAT|5HT7R_RAT" 5.07 "Kd" "Affinity against 5-hydroxytryptamine receptors in rat fundus model" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11608" "Rattus norvegicus" +"tyramine" 2784 "Beta-secretase 1" "Enzyme" "P56817" "BACE1" "BACE1_HUMAN" 2.7 "Kd" "Binding affinity to BACE1 by surface plasmon resonance method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11608" "Tchem" "Homo sapiens" +"tyramine" 2784 "Trace amine-associated receptor 1" "GPCR" "Q96RJ0" "TAAR1" "TAAR1_HUMAN" 7.16 "EC50" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/21073468" "AGONIST" "Tclin" "Homo sapiens" +"tyramine" 2784 "Trace amine-associated receptor 1" "GPCR" "Q923Y8" "Taar1" "TAAR1_MOUSE" 7.1 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2150" "AGONIST" "Mus musculus" +"tyramine" 2784 "Trace amine-associated receptor 1" "GPCR" "Q923Y9" "Taar1" "TAAR1_RAT" 7.2 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2150" "AGONIST" "Rattus norvegicus" +"ubenimex" 2787 "Cytosol aminopeptidase" "Enzyme" "P28838" "LAP3" "AMPL_HUMAN" 9.22 "Ki" "Binding affinity for cytosolic leucine aminopeptidase (LAP) from porcine kidney" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL29292" "Tchem" "Homo sapiens" +"ubenimex" 2787 "Aminopeptidase N" "Enzyme" "P97449" "Anpep" "AMPN_MOUSE" 5.52 "Ki" "Inhibition of mouse APN" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL29292" "Mus musculus" +"ubenimex" 2787 "72 kDa type IV collagenase" "Enzyme" "P08253" "MMP2" "MMP2_HUMAN" 5.47 "IC50" "Inhibition of MMP2 after 30 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL29292" "Tchem" "Homo sapiens" +"ubenimex" 2787 "Aminopeptidase N" "Unclassified" "P15684" "Anpep" "AMPN_RAT" 4.71 "IC50" "Compound was evaluated for its inhibitory potency against purified membrane bound rat brain Aminopeptidase M using [3H]Leu-enkephalin as substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL29292" "Rattus norvegicus" +"ubenimex" 2787 "Bacterial leucyl aminopeptidase" "Enzyme" "Q01693" "AMPX_VIBPR" 8.8 "Ki" "Inhibition of Aeromonas proteolytica leucyl aminopeptidase using L-leucine para-notroanilide as substrate assessed as release of para-nitroaniline by Dixon plot analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL29292" "Vibrio proteolyticus" +"ubenimex" 2787 "Cytosol aminopeptidase" "Enzyme" "P00727" "LAP3" "AMPL_BOVIN" 6.3 "Ki" "Competitive inhibition of bovine LAPc using L-leucine-p-nitroanilide as substrate by Dixon-plot analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL29292" "Bos taurus" +"ubenimex" 2787 "Aminopeptidase B" "Enzyme" "O09175" "Rnpep" "AMPB_RAT" 7.85 "Ki" "Inhibition of aminopeptidase B or arginyl aminopeptidase purified from rat liver" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL29292" "Rattus norvegicus" +"ubenimex" 2787 "Leucyl-cystinyl aminopeptidase" "Enzyme" "P97629" "Lnpep" "LCAP_RAT" 7.7 "Ki" "Inhibition of leucine aminopeptidase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL29292" "Rattus norvegicus" +"ubenimex" 2787 "Leukotriene A-4 hydrolase" "Enzyme" "P09960" "LTA4H" "LKHA4_HUMAN" 6.3 "IC50" "Inhibition of aminopeptidase activity of human leukotriene A4 hydrolase by Dixon plot analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL29292" "Tchem" "Homo sapiens" +"ubenimex" 2787 "Aminopeptidase B" "Enzyme" "Q8VCT3" "Rnpep" "AMPB_MOUSE" 5.22 "IC50" "Inhibition of Aminopeptidase B in murine L-cells by Aoyagi method." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL29292" "Mus musculus" +"ubenimex" 2787 "Aminopeptidase N" "Enzyme" "P15144" "ANPEP" "AMPN_HUMAN" 5.62 "IC50" "Inhibition of aminopeptidase N" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL29292" "Tchem" "Homo sapiens" +"ubenimex" 2787 "Aminopeptidase N" "Enzyme" "P15145" "ANPEP" "AMPN_PIG" 9.3 "Ki" "Competitive inhibition of pig APN using L-leucine-p-nitroanilide as substrate by Dixon-plot analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL29292" "Sus scrofa" +"ubenimex" 2787 "M1 family aminopeptidase" "Enzyme" "O96935" "AMP1_PLAFQ" 6.72 "Ki" "Inhibition of Plasmodium falciparum recombinant M1-aminopeptidase expressed in Escherichia coli after 40 mins uisng fluorogenic substrate L-Leucyl-7-amido-40-methylcoumarin by fluorescence spectrophotometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL29292" "Plasmodium falciparum (isolate FcB1 / Columbia)" +"uracil mustard" 2795 "DNA" "DNA" "Mechanism of Action" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1488" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1488" "OTHER" +"urapidil" 2796 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.1 "Ki" "WOMBAT-PK" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01333" "ANTAGONIST" "Tclin" "Homo sapiens" +"urapidil" 2796 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.9 "Ki" "WOMBAT-PK" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01333" "ANTAGONIST" "Tclin" "Homo sapiens" +"urapidil" 2796 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.85 "Ki" "WOMBAT-PK" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01333" "ANTAGONIST" "Tclin" "Homo sapiens" +"urapidil" 2796 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 9.4559 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ursodiol" 2797 "Aldo-keto reductase family 1 member C2" "Enzyme" "P52895" "AKR1C2" "AK1C2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"ursodiol" 2797 "Bile acid receptor" "Nuclear hormone receptor" "Q96RI1" "NR1H4" "NR1H4_HUMAN" "Mechanism of Action; CHEMBL2047; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1551" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1551" "AGONIST" "Tclin" "Homo sapiens" +"ursodiol" 2797 "G-protein coupled bile acid receptor 1" "GPCR" "Q8TDU6" "GPBAR1" "GPBAR_HUMAN" 5.61999988555908 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1551" "Tchem" "Homo sapiens" +"ursodiol" 2797 "M1-family alanyl aminopeptidase" "Unclassified" "Q8IEK1" "Q8IEK1_PLAF7" 5.59 "IC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1551" "Plasmodium falciparum (isolate 3D7)" +"valaciclovir" 2798 "DNA polymerase catalytic subunit" "Enzyme" "P04293" "DPOL_HHV11" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1349" "INHIBITOR" "Human herpesvirus 1 (strain 17)" +"valdecoxib" 2799 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.73565435409546 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"valdecoxib" 2799 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.537152964 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"valdecoxib" 2799 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 6.37 "Ki" "Inhibitory activity against murine carbonic anhydrase XIII (mCA XIII) by using CO2 hydrase assay method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL865" "Mus musculus" +"valdecoxib" 2799 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 7.89 "Ki" "Inhibitory activity against cloned human CA12" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL865" "Tclin" "Homo sapiens" +"valdecoxib" 2799 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.87 "Ki" "Inhibitory activity against human carbonic anhydrase IV (hCAIV)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL865" "Tclin" "Homo sapiens" +"valdecoxib" 2799 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 6.37 "Ki" "Inhibition of human recombinant CA13 catalytic domain pre-incubated for 15 mins by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL865" "Tclin" "Homo sapiens" +"valdecoxib" 2799 "Carbonic anhydrase" "Enzyme" "Q50565" "Q50565_METTH" 4.21 "Ki" "Inhibitory activity against beta carbonic anhydrase (Cab) from Methanobacterium thermoautotrophicum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL865" "Methanothermobacter thermautotrophicus (strain ATCC 29096 / DSM 1053 / JCM 10044 / NBRC 100330 / Delta H)" +"valdecoxib" 2799 "Alpha carbonic anhydrase" "Unclassified" "B5SU02" "CA" "B5SU02_9CNID" 7.54 "Ki" "Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL865" "Stylophora pistillata" +"valdecoxib" 2799 "Probable transmembrane carbonic anhydrase (Carbonate dehydratase) (Carbonic dehydratase); Transmembrane carbonic anhydrase" "Enzyme" "P96878" "P96878_MYCTU" 5.11 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3273 pre-incubated for 15 mins by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL865" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"valdecoxib" 2799 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 4.57 "IC50" "In vitro inhibitory concentration against Prostaglandin G/H synthase 1 in human whole blood assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL865" "Tclin" "Homo sapiens" +"valdecoxib" 2799 "Cytochrome c oxidase subunit 2" "Enzyme" "P00403" "MT-CO2" "COX2_HUMAN" 5.96 "IC50" "Inhibition of human recombinant cyclooxygenase 2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL865" "Tchem" "Homo sapiens" +"valdecoxib" 2799 "Astrosclerin-3" "Unclassified" "A6YCJ1" "A6YCJ1_9METZ" 6.29 "Ki" "Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL865" "Astrosclera willeyana" +"valdecoxib" 2799 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 4.11 "Ki" "Inhibition of human recombinant full length CA3 pre-incubated for 15 mins by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL865" "Tclin" "Homo sapiens" +"valdecoxib" 2799 "Beta-carbonic anhydrase 1" "Enzyme" "P9WPJ7" "mtcA1" "MTCA1_MYCTU" 4.89 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase 1 encoded by Rv1284 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL865" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"valdecoxib" 2799 "Carbonic anhydrase" "Unclassified" "C0IX24" "CA2" "C0IX24_9CNID" 5.24 "Ki" "Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL865" "Stylophora pistillata" +"valdecoxib" 2799 "Delta carbonic anhydrase" "Unclassified" "Q5U9J1" "ca1" "Q5U9J1_THAWE" 6.42 "Ki" "Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL865" "Thalassiosira weissflogii" +"valdecoxib" 2799 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 6.04 "Ki" "Inhibition of human recombinant full length CA5A pre-incubated for 15 mins by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL865" "Tclin" "Homo sapiens" +"valdecoxib" 2799 "Carbonic anhydrase" "Enzyme" "P53615" "NCE103" "CAN_YEAST" 6.18 "Ki" "Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL865" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"valdecoxib" 2799 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 6.97 "Ki" "Inhibition of human recombinant CA14 catalytic domain pre-incubated for 15 mins by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL865" "Tclin" "Homo sapiens" +"valdecoxib" 2799 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 5.41 "Ki" "Inhibition of human recombinant full length CA7 pre-incubated for 15 mins by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL865" "Tclin" "Homo sapiens" +"valdecoxib" 2799 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 7.18 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL865" "Mus musculus" +"valdecoxib" 2799 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 4.27 "Ki" "Inhibitory activity against human carbonic anhydrase I (hCA I) by using esterase assay method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL865" "Tclin" "Homo sapiens" +"valdecoxib" 2799 "Cytochrome c oxidase subunit 1" "Unclassified" "O78749" "MT-CO1" "COX1_SHEEP" 4.02 "IC50" "Inhibition of ovine cyclooxygenase 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL865" "Ovis aries" +"valdecoxib" 2799 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 7.06 "Ki" "Inhibition of human recombinant full length CA5B pre-incubated for 15 mins by stopped-flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL865" "Tclin" "Homo sapiens" +"valdecoxib" 2799 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 7.37 "Ki" "Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL865" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"valdecoxib" 2799 "Carbonic anhydrase" "Enzyme" "P40881" "CAH_METTE" 6.89 "Ki" "Inhibitory activity against alpha carbonic anhydrase (Zn-Cam) from Methanosarcina thermophila" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL865" "Methanosarcina thermophila" +"valdecoxib" 2799 "Carbonic anhydrase 2" "Enzyme" "P9WPJ9" "mtcA2" "MTCA2_MYCTU" 6.17 "Ki" "Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL865" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"valdecoxib" 2799 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 6.24 "Ki" "Inhibition of human full length recombinant carbonic anhydrase 6 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL865" "Tclin" "Homo sapiens" +"valdecoxib" 2799 "Carbonic anhydrase 4" "Enzyme" "Q95323" "CA4" "CAH4_BOVIN" 6.47 "Ki" "Inhibitory activity against bovine carbonic anhydrase IV (bCAIV)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL865" "Bos taurus" +"valdecoxib" 2799 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 8.3 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL865" "INHIBITOR" "Tclin" "Homo sapiens" +"valdecoxib" 2799 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 7.57 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"valdecoxib" 2799 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 7.37 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"valdecoxib" 2799 "Carbonic anhydrase" "Unclassified" "Q5TU56" "Q5TU56_ANOGA" 6.79 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL865" "Anopheles gambiae" +"valdecoxib" 2799 "Carbonic anhydrase" "Enzyme" "Q6FTL6" "Q6FTL6_CANGA" 7.01 "Ki" "Inhibition of recombinant full length Candida glabrata NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL865" "Candida glabrata (strain ATCC 2001 / CBS 138 / JCM 3761 / NBRC 0622 / NRRL Y-65)" +"valethamate" 2800 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 8.5600004196167 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2107687" "Tclin" "Homo sapiens" +"valethamate" 2800 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.4399995803833 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2107687" "Tclin" "Homo sapiens" +"valethamate" 2800 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 8.25 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2107687" "Tclin" "Homo sapiens" +"valethamate" 2800 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.71999979019165 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2107687" "Tclin" "Homo sapiens" +"valethamate" 2800 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.61999988555908 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2107687" "Tclin" "Homo sapiens" +"valethamate" 2800 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.69999980926514 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2107687" "Tclin" "Homo sapiens" +"valethamate" 2800 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.59999990463257 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2107687" "Tclin" "Homo sapiens" +"valganciclovir" 2801 "DNA polymerase catalytic subunit" "Enzyme" "P04293" "DPOL_HHV11" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB01610" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200454" "INHIBITOR" "Human herpesvirus 1 (strain 17)" +"valproic acid" 2803 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 4.25 "IC50" "Inhibition of Fischer-344 rat kidney ALR1 using D,L-glyceraldehyde as substrate by spectrophotometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL109" "Rattus norvegicus" +"valproic acid" 2803 "Alcohol dehydrogenase [NADP(+)]" "Enzyme" "P14550" "AKR1A1" "AK1A1_HUMAN" 4.3 "IC50" "Inhibition of AK1A1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL109" "Tchem" "Homo sapiens" +"valproic acid" 2803 "Alcohol dehydrogenase [NADP(+)]" "Enzyme" "P50578" "AKR1A1" "AK1A1_PIG" 4.05 "IC50" "Selectivity ratio measured as the IC50 ratio of aldehyde/aldose reductase values" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL109" "Sus scrofa" +"valproic acid" 2803 "Alcohol dehydrogenase [NADP(+)]" "Enzyme" "P51635" "Akr1a1" "AK1A1_RAT" 4.3 "IC50" "Inhibition of rat kidney aldehyde reductase at 0.1 mM after 20 mins by spectrometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL109" "Rattus norvegicus" +"valproic acid" 2803 "Histone deacetylase 2" "Enzyme" "Q92769" "HDAC2" "HDAC2_HUMAN" 4.21 "IC50" "Inhibition of human recombinant HDAC2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL109" "Tclin" "Homo sapiens" +"valproic acid" 2803 "Succinate-semialdehyde dehydrogenase, mitochondrial" "Enzyme" "P51649" "ALDH5A1" "SSDH_HUMAN" "Mechanism of Action; CHEMBL1911; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL109" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL109" "INHIBITOR" "Tclin" "Homo sapiens" +"valproic acid" 2803 "UDP-glucuronosyltransferase 1-5" "Enzyme" "P35504" "UGT1A5" "UD15_HUMAN" "WOMBAT-PK" "Tdark" "Homo sapiens" +"valproic acid" 2803 "Histone deacetylase 1" "Enzyme" "Q13547" "HDAC1" "HDAC1_HUMAN" 6.4 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7009" "INHIBITOR" "Tclin" "Homo sapiens" +"valproic acid" 2803 "Aldose reductase" "Enzyme" "P16116" "AKR1B1" "ALDR_BOVIN" 4.24 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL109" "Bos taurus" +"valproic acid" 2803 "Aldose reductase-related protein 1" "Unclassified" "Q5RJP0" "Akr1b7" "ALD1_RAT" 4.25 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL109" "Rattus norvegicus" +"valrubicin" 2805 "DNA topoisomerase 2-alpha" "Enzyme" "P11388" "TOP2A" "TOP2A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1096885" "INHIBITOR" "Tclin" "Homo sapiens" +"valsartan" 2806 "Type-1 angiotensin II receptor" "GPCR" "P30556" "AGTR1" "AGTR1_HUMAN" 5.33 "Ki" "Inhibition constant against Angiotensin II receptor, type 1 was determined" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1069" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1069" "ANTAGONIST" "Tclin" "Homo sapiens" +"valsartan" 2806 "Type-1B angiotensin II receptor" "GPCR" "P29089" "Agtr1b" "AGTRB_RAT" 8.72 "IC50" "Binding affinity for rat angiotensin II receptor, type 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1069" "Rattus norvegicus" +"valsartan" 2806 "Type-1A angiotensin II receptor" "GPCR" "P25095" "Agtr1" "AGTRA_RAT" 8.47 "IC50" "Displacement of [125I]Sar1,Ile8-Ang2 from AT1 receptor in Wistar rat hepatic membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1069" "Rattus norvegicus" +"valsartan" 2806 "Angiotensin II receptor (AT-1) type-1" "GPCR" "P25095|P29089" "Agtr1|Agtr1b" "AGTRA_RAT|AGTRB_RAT" 8.57 "IC50" "Inhibitory activity against Angiotensin II receptor, type 1 in rat aortic membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1069" "Rattus norvegicus" +"vancomycin" 2807 "D-alanyl-D-alanine dipeptidase" "Unclassified" "Q06241" "vanX" "VANX_ENTFC" 4.21 "Ki" "Inhibition of D,D-dipeptidase activity Van X in Enterococcus faecium ATCC 51559 using D-alanyl-(R)-phenylthioglycine substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL262777" "Enterococcus faecium" +"vancomycin" 2807 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.3 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL262777" "Tclin" "Homo sapiens" +"vancomycin" 2807 "UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase" "Unclassified" "P17443" "murG" "MURG_ECOLI" 5 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL262777" "Escherichia coli (strain K12)" +"varenicline" 2808 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P17787|P43681" "CHRNA4|CHRNB2" "ACHA4_HUMAN|ACHB2_HUMAN" 9.3979 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1396" "AGONIST" "Tclin|Tclin" "Homo sapiens" +"varenicline" 2808 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P36544" "CHRNA7" "ACHA7_HUMAN" 6.9 "Ki" "Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1396" "Tchem" "Homo sapiens" +"varenicline" 2808 "Acetylcholine receptor; alpha1/beta1/delta/gamma" "Ion channel" "P02708|P07510|P11230|Q07001" "CHRNA1|CHRNB1|CHRND|CHRNG" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN|ACHG_HUMAN" 5.09 "Ki" "Binding affinity to alpha-1-beta-gamma-delta nicotinic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1396" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"varenicline" 2808 "Neuronal acetylcholine receptor; alpha3/beta2" "Ion channel" "P04757|P12390" "Chrna3|Chrnb2" "ACHA3_RAT|ACHB2_RAT" 8.72 "Ki" "Displacement of [3H]epibatidine from rat alpha3beta2 nAChR expressed in HEK293 cells after 4 hrs" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1396" "Rattus norvegicus" +"varenicline" 2808 "Neuronal acetylcholine receptor; alpha3/beta4" "Ion channel" "P04757|P12392" "Chrna3|Chrnb4" "ACHA3_RAT|ACHB4_RAT" 7.07 "Ki" "Displacement of [3H]epibatidine from rat alpha3beta4 nACHR" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1396" "Rattus norvegicus" +"varenicline" 2808 "Neuronal acetylcholine receptor; alpha2/beta2" "Ion channel" "P12389|P12390" "Chrna2|Chrnb2" "ACHA2_RAT|ACHB2_RAT" 9.66 "Ki" "Displacement of [3H]epibatidine from rat alpha2beta2 nAChR expressed in HEK293 cells after 4 hrs" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1396" "Rattus norvegicus" +"varenicline" 2808 "Neuronal acetylcholine receptor; alpha2/beta4" "Ion channel" "P12389|P12392" "Chrna2|Chrnb4" "ACHA2_RAT|ACHB4_RAT" 7.15 "Ki" "Displacement of [3H]epibatidine from rat alpha2beta4 nAChR expressed in HEK293 cells after 4 hrs" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1396" "Rattus norvegicus" +"varenicline" 2808 "Neuronal acetylcholine receptor; alpha4/beta4" "Ion channel" "P09483|P12392" "Chrna4|Chrnb4" "ACHA4_RAT|ACHB4_RAT" 7.82 "Ki" "Displacement of [3H]epibatidine from rat alpha4beta4 nAChR expressed in HEK293 cells after 4 hrs" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1396" "Rattus norvegicus" +"varenicline" 2808 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "Q05941" "Chrna7" "ACHA7_RAT" 7.49 "Ki" "Displacement of [125I]iodoMLA from alpha-7 nAChR in rat cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1396" "Rattus norvegicus" +"varenicline" 2808 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P09483|P12390" "Chrna4|Chrnb2" "ACHA4_RAT|ACHB2_RAT" 10.3 "Ki" "Displacement of [3H]epibatidine from rat alpha4beta2 nACHR" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1396" "Rattus norvegicus" +"varenicline" 2808 "Acetylcholine receptor" "Ion channel" "P02710|P02712|P02714|P02718" "CHRNA1|CHRNB1|CHRNG|chrnd" "ACHA_TORCA|ACHB_TORCA|ACHD_TORCA|ACHG_TORCA" 5.45 "Ki" "Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha1 beta gamma delta of electroplax" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1396" "Torpedo californica" +"varenicline" 2808 "Neuronal acetylcholine receptor; alpha3/beta4" "Ion channel" "P30926|P32297" "CHRNA3|CHRNB4" "ACHA3_HUMAN|ACHB4_HUMAN" 7.0655 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin" "Homo sapiens" +"varenicline" 2808 "Neuronal acetylcholine receptor; alpha4/beta4" "Ion channel" "P30926|P43681" "CHRNA4|CHRNB4" "ACHA4_HUMAN|ACHB4_HUMAN" 6.96000003814697 "Ki" "Binding affinity to alpha4beta4 nAChR" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1396" "Tclin|Tclin" "Homo sapiens" +"vardenafil" 2809 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "O76074" "PDE5A" "PDE5A_HUMAN" 9.1549 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1339" "INHIBITOR" "Tclin" "Homo sapiens" +"vardenafil" 2809 "Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A" "Enzyme" "P54750" "PDE1A" "PDE1A_HUMAN" 7.041 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"vardenafil" 2809 "Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha" "Enzyme" "P16499" "PDE6A" "PDE6A_HUMAN" 7.4647 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"vardenafil" 2809 "High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A" "Enzyme" "O76083" "PDE9A" "PDE9A_HUMAN" 6.34 "IC50" "Inhibition of Phosphodiesterase 9" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1339" "Tchem" "Homo sapiens" +"vardenafil" 2809 "Phosphodiesterase 4" "Enzyme" "P27815|Q07343|Q08493|Q08499" "PDE4A|PDE4B|PDE4C|PDE4D" "PDE4A_HUMAN|PDE4B_HUMAN|PDE4C_HUMAN|PDE4D_HUMAN" 5.35 "IC50" "Inhibition of human phosphodiesterase 4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1339" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"vardenafil" 2809 "Phosphodiesterase 1" "Enzyme" "P14100|Q01061" "PDE1A|PDE1B" "PDE1A_BOVIN|PDE1B_BOVIN" 6.74 "IC50" "Inhibition of Phosphodiesterase 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1339" "Bos taurus" +"vardenafil" 2809 "cGMP-dependent 3',5'-cyclic phosphodiesterase" "Enzyme" "O00408" "PDE2A" "PDE2A_HUMAN" 5.51 "IC50" "Inhibition of PDE2 (unknown origin) using FAM-cGMP and FAM-cAMP as substrate after 60 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1339" "Tclin" "Homo sapiens" +"vardenafil" 2809 "Phosphodiesterase 3" "Enzyme" "Q13370|Q14432" "PDE3A|PDE3B" "PDE3A_HUMAN|PDE3B_HUMAN" 5.68 "IC50" "Inhibition of human phosphodiesterase 3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1339" "Tclin|Tclin" "Homo sapiens" +"vardenafil" 2809 "Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A" "Enzyme" "Q9HCR9" "PDE11A" "PDE11_HUMAN" 6.89 "IC50" "Inhibition of human phosphodiesterase 11" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1339" "Tchem" "Homo sapiens" +"vardenafil" 2809 "cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A" "Enzyme" "Q9Y233" "PDE10A" "PDE10_HUMAN" 6.1 "IC50" "Inhibitory concentration against human phosphodiesterase 10" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1339" "Tclin" "Homo sapiens" +"vasopressin" 2810 "Vasopressin V2 receptor" "GPCR" "P32307" "AVPR2" "V2R_PIG" 8.48 "IC50" "Tested for the inhibition to V2 subtype receptor using [3H]- (VS2) as radioligand at 3 nM and arginine-vasopressin at 2 uM in LLCPKI cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL373742" "Sus scrofa" +"vasopressin" 2810 "Vasopressin V2 receptor" "GPCR" "Q00788" "Avpr2" "V2R_RAT" 9.35 "Ki" "Displacement of [3H]AVP from vasopressin V2 receptor in rat kidney membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL373742" "Rattus norvegicus" +"vasopressin" 2810 "Oxytocin receptor" "GPCR" "P30559" "OXTR" "OXYR_HUMAN" 8.78 "Ki" "Displacement of [3H]-AVP from human oxytocin receptor expressed in CHO cells after 30 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL373742" "Tclin" "Homo sapiens" +"vasopressin" 2810 "Vasopressin V2 receptor" "GPCR" "P30518" "AVPR2" "V2R_HUMAN" 8.92 "Ki" "Displacement of [3H]AVP from human vasopressin V2 receptor expressed CHO cells after 60 mins" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL373742" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL373742" "AGONIST" "Tclin" "Homo sapiens" +"vasopressin" 2810 "Vasopressin V1a receptor" "GPCR" "P37288" "AVPR1A" "V1AR_HUMAN" 9.59 "Ki" "Inhibition of human vasopressin V1a receptor expressed in CHO cells by polarisation binding assay using 96-well plate membranes" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL373742" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL373742" "AGONIST" "Tclin" "Homo sapiens" +"vasopressin" 2810 "Vasopressin V1b receptor" "GPCR" "P47901" "AVPR1B" "V1BR_HUMAN" 9.31 "Ki" "Displacement of [3H]-AVP from human vasopressin V1b receptor expressed in CHO cells after 30 mins" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL373742" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL373742" "AGONIST" "Tclin" "Homo sapiens" +"vasopressin" 2810 "Vasopressin V2 receptor" "GPCR" "P48044" "AVPR2" "V2R_BOVIN" 8.82 "Kd" "Inhibition of radioligand [3H]AVP binding to V2 receptor in bovine kidney inner medulla membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL373742" "Bos taurus" +"vasopressin" 2810 "Vasopressin V1b receptor" "GPCR" "P48974" "Avpr1b" "V1BR_RAT" 9.54 "Ki" "Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in At-T20 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL373742" "Rattus norvegicus" +"vasopressin" 2810 "Vasopressin V1a receptor" "GPCR" "P30560" "Avpr1a" "V1AR_RAT" 9.19 "Kd" "Binding potency against V1 receptor in rat liver cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL373742" "Rattus norvegicus" +"vasopressin" 2810 "Vasopressin V1 receptor" "GPCR" "P30560|P48974" "Avpr1a|Avpr1b" "V1AR_RAT|V1BR_RAT" 9.19 "Kd" "Compound was evaluated for its dissociation constant (Kd) to rat liver Vasopressin V1 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL373742" "Rattus norvegicus" +"vasopressin" 2810 "Oxytocin receptor" "GPCR" "P70536" "Oxtr" "OXYR_RAT" 8.93 "Ki" "Displacement of [3H]AVP from rat OT receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL373742" "Rattus norvegicus" +"vecuronium" 2811 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P17787|P43681" "CHRNA4|CHRNB2" "ACHA4_HUMAN|ACHB2_HUMAN" "WOMBAT-PK" "Tclin|Tclin" "Homo sapiens" +"vecuronium" 2811 "Neuronal acetylcholine receptor; alpha2/beta4" "Ion channel" "P30926|Q15822" "CHRNA2|CHRNB4" "ACHA2_HUMAN|ACHB4_HUMAN" "WOMBAT-PK" "Tchem|Tclin" "Homo sapiens" +"vecuronium" 2811 "Neuronal acetylcholine receptor; alpha4/beta4" "Ion channel" "P30926|P43681" "CHRNA4|CHRNB4" "ACHA4_HUMAN|ACHB4_HUMAN" "WOMBAT-PK" "Tclin|Tclin" "Homo sapiens" +"vecuronium" 2811 "Acetylcholine receptor" "Ion channel" "P02708|P11230|Q07001" "CHRNA1|CHRNB1|CHRND" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN" 7.8239 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200629" "ANTAGONIST" "Tclin|Tclin|Tclin" "Homo sapiens" +"vecuronium" 2811 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.46 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200629" "Tchem" "Homo sapiens" +"vecuronium" 2811 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 4.6 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200629" "Tchem" "Homo sapiens" +"vecuronium" 2811 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.72 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200629" "Tchem" "Homo sapiens" +"vecuronium" 2811 "Acetylcholine receptor; alpha1/beta1/delta/gamma" "Ion channel" "P02708|P07510|P11230|Q07001" "CHRNA1|CHRNB1|CHRND|CHRNG" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN|ACHG_HUMAN" 7.09000015258789 "IC50" "GRAC: human AChR-alpha1 commonly used antagonist" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200629" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"venlafaxine" 2813 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.55408477783203 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"venlafaxine" 2813 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.69810247421265 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"venlafaxine" 2813 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.65169525146484 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"venlafaxine" 2813 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 6.44 "Ki" "Inhibition of [3H]- DA reuptake into rat striatal synaptosomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL637" "Rattus norvegicus" +"venlafaxine" 2813 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 7.6 "Ki" "Displacement of [3H]-citalopram from Sprague-Dawley rat brain SERT after 1 hr" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL637" "Rattus norvegicus" +"venlafaxine" 2813 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 6.19 "IC50" "Inhibition of norepinephrine uptake at rat brain norepinephrine transporter" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL637" "Rattus norvegicus" +"venlafaxine" 2813 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.05 "IC50" "Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL637" "Rattus norvegicus" +"venlafaxine" 2813 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.44 "Ki" "Inhibition of [3H]dopamine uptake at human DAT expressed in HEK293 cells preincubated for 10 mins prior to substrate addition measured after 4 mins by FLIPR assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL637" "Tclin" "Homo sapiens" +"venlafaxine" 2813 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 6.86 "Ki" "Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL637" "Rattus norvegicus" +"venlafaxine" 2813 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.9747 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL637" "INHIBITOR" "Tclin" "Homo sapiens" +"venlafaxine" 2813 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 8.0506 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL637" "INHIBITOR" "Tclin" "Homo sapiens" +"verapamil" 2815 "Voltage-dependent L-type calcium channel subunit alpha-1S" "Ion channel" "Q13698" "CACNA1S" "CAC1S_HUMAN" "UNKNOWN" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2406" "BLOCKER" "Tclin" "Homo sapiens" +"verapamil" 2815 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" 6 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1280" "BLOCKER" "Tclin" "Homo sapiens" +"verapamil" 2815 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.85387182235718 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"verapamil" 2815 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.663540266 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"verapamil" 2815 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.896196279 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"verapamil" 2815 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.762959209 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"verapamil" 2815 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.978810701 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"verapamil" 2815 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.809668302 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"verapamil" 2815 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.200659451 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"verapamil" 2815 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.593971055 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"verapamil" 2815 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.07211659 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"verapamil" 2815 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.026872146 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"verapamil" 2815 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 5.759950228 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"verapamil" 2815 "Potassium voltage-gated channel subfamily C member 2" "Ion channel" "Q96PR1" "KCNC2" "KCNC2_HUMAN" 4.9 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"verapamil" 2815 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 5.4559 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"verapamil" 2815 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.0706 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"verapamil" 2815 "Potassium voltage-gated channel subfamily A member 7" "Ion channel" "Q96RP8" "KCNA7" "KCNA7_HUMAN" 4.8 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"verapamil" 2815 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4" "Ion channel" "Q9Y3Q4" "HCN4" "HCN4_HUMAN" 4.3478 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"verapamil" 2815 "Potassium voltage-gated channel subfamily A member 10" "Ion channel" "Q16322" "KCNA10" "KCA10_HUMAN" 4.3 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2406" "BLOCKER" "Tclin" "Homo sapiens" +"verapamil" 2815 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 4.4854 "Ki" "WOMBAT-PK" "=" "BLOCKER" "Tclin" "Homo sapiens" +"verapamil" 2815 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"verapamil" 2815 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"verapamil" 2815 "G protein-activated inward rectifier potassium channel 2" "Ion channel" "P48051" "KCNJ6" "KCNJ6_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"verapamil" 2815 "Equilibrative nucleoside transporter 4" "Transporter" "Q7RTT9" "SLC29A4" "S29A4_HUMAN" 4.73 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2406" "INHIBITOR" "Tbio" "Homo sapiens" +"verapamil" 2815 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "P15381" "CACNA1C" "CAC1C_RABIT" 6 "IC50" "Inhibition of [3H]nitrendipine binding to calcium channels in Rabbit cardiac muscle." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1280" "Oryctolagus cuniculus" +"verapamil" 2815 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 6.52 "Ki" "High affinity constant at binding site of human P-Glycoprotein (P-gp) in two-affinity model" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1280" "Tchem" "Homo sapiens" +"verapamil" 2815 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 5.17 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1280" "Tchem" "Homo sapiens" +"verapamil" 2815 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" 4.88 "Ki" "Inhibition of MRP1 in human 2008/MRP1 cells by Lineweaver-Burke plot analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1280" "Tchem" "Homo sapiens" +"verapamil" 2815 "Voltage-dependent L-type calcium channel subunit alpha-1S" "Ion channel" "Q02485" "Cacna1s" "CAC1S_RAT" 7.24 "Ki" "Inhibition of [3H]D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1280" "Rattus norvegicus" +"verapamil" 2815 "Translocator protein" "Membrane receptor" "P16257" "Tspo" "TSPO_RAT" 8.85 "IC50" "Ability to inhibit [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1280" "Rattus norvegicus" +"verapamil" 2815 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 8 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1280" "Tclin" "Homo sapiens" +"verapamil" 2815 "Chloroquine resistance transporter" "Unclassified" "Q9N623" "CRT" "CRT_PLAFA" 4.52 "IC50" "Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocyte assessed as inhibition of [3H]chloroquine uptake measured from 1 to 2 hrs" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1280" "Plasmodium falciparum" +"verapamil" 2815 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.48 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1280" "Tclin|Tclin|Tclin" "Homo sapiens" +"verapamil" 2815 "Voltage-gated L-type calcium channel" "Ion channel" "P22002|P27732|Q02485" "Cacna1c|Cacna1d|Cacna1s" "CAC1C_RAT|CAC1D_RAT|CAC1S_RAT" 8.43 "IC50" "Ability to inhibit [3H]nitrendipine binding to the calcium channel receptor(CCR) in rat cerebral cortex homogenate." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1280" "Rattus norvegicus" +"verapamil" 2815 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "P22002" "Cacna1c" "CAC1C_RAT" 7.41 "IC50" "Ability to inhibit [3H]nitrendipine binding to the L-type calcium channel receptor(CCR) in rat heart homogenate." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1280" "Rattus norvegicus" +"verapamil" 2815 "Potassium voltage-gated channel subfamily A member 3" "Ion channel" "P22001" "KCNA3" "KCNA3_HUMAN" 5.1 "IC50" "Inhibition of Kv1.3 expressed in mouse L929 cells exposed to depolarizing step pulses from -80 mV to +40 mV by whole cell patch clamp method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1280" "Tclin" "Homo sapiens" +"verapamil" 2815 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" 4.42999982833862 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1280" "Tchem" "Homo sapiens" +"verapamil" 2815 "Muscarinic acetylcholine receptor M2" "GPCR" "P06199" "CHRM2" "ACM2_PIG" 4.51 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1280" "Sus scrofa" +"verapamil" 2815 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.52 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1280" "Rattus norvegicus" +"verapamil" 2815 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 5.68 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1280" "Rattus norvegicus" +"verapamil" 2815 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6.22 "Ki" "Inhibition of testosterone 6β-hydroxylation." "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2406" "INHIBITOR" "Tclin" "Homo sapiens" +"verapamil" 2815 "Potassium voltage-gated channel subfamily C member 2" "Unclassified" "P22462" "Kcnc2" "KCNC2_RAT" 4.9 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2406" "BLOCKER" "Rattus norvegicus" +"verapamil" 2815 "Two pore calcium channel protein 2" "Unclassified" "Q8NHX9" "TPCN2" "TPC2_HUMAN" 5 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2406" "BLOCKER" "Homo sapiens" +"verapamil" 2815 "Two pore calcium channel protein 1" "Unclassified" "Q9ULQ1" "TPCN1" "TPC1_HUMAN" 4.64 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2406" "BLOCKER" "Homo sapiens" +"vesnarinone" 2817 "cGMP-inhibited 3',5'-cyclic phosphodiesterase B" "Enzyme" "Q13370" "PDE3B" "PDE3B_HUMAN" 4.88 "IC50" "Inhibition of human PDE3B by fluorescence microplate reader" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17423" "Tclin" "Homo sapiens" +"vesnarinone" 2817 "cGMP-inhibited 3',5'-cyclic phosphodiesterase A" "Enzyme" "Q14432" "PDE3A" "PDE3A_HUMAN" 4.97 "IC50" "Inhibition of human PDE3A by fluorescence microplate reader" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17423" "Tclin" "Homo sapiens" +"vesnarinone" 2817 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.96 "IC50" "Inhibition of human Potassium channel HERG expressed in mammalian cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17423" "Tclin" "Homo sapiens" +"vesnarinone" 2817 "Phosphodiesterase 3" "Enzyme" "Q13370|Q14432" "PDE3A|PDE3B" "PDE3A_HUMAN|PDE3B_HUMAN" 5.21 "IC50" "In vivo inhibition of cyclic AMP phosphodiesterase from human platelets" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17423" "Tclin|Tclin" "Homo sapiens" +"vesnarinone" 2817 "Transitional endoplasmic reticulum ATPase" "Enzyme" "P55072" "VCP" "TERA_HUMAN" "Vesnarinone binds to the D1 domain of VCP" "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/23393163" "Tchem" "Homo sapiens" +"vidarabine" 2818 "Adenosylhomocysteinase " "Unclassified" "P50247" "Ahcy" "SAHH_MOUSE" 4.52 "Ki" "Activity determined in mouse liver S-adenosyl-L-homocysteine hydrolase and expressed as KI values." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1090" "Mus musculus" +"vidarabine" 2818 "Adenylate cyclase type V" "Enzyme" "Q04400" "Adcy5" "ADCY5_RAT" 4.09 "IC50" "Compound was evaluated for inhibition of adenylate cyclase from rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1090" "Rattus norvegicus" +"vidarabine" 2818 "Dipeptidyl peptidase 4" "Enzyme" "P27487" "DPP4" "DPP4_HUMAN" 7.21 "IC50" "Inhibition of human DPP4 from human Caco-2 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1090" "Tclin" "Homo sapiens" +"vidarabine" 2818 "DNA polymerase catalytic subunit" "Enzyme" "P04293" "DPOL_HHV11" "Mechanism of Action; CHEMBL1872; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1090" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1090" "INHIBITOR" "Human herpesvirus 1 (strain 17)" +"vidarabine" 2818 "Ribose-phosphate pyrophosphokinase 1" "Kinase" "P60891" "PRPS1" "PRPS1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"vidarabine" 2818 "Deoxyguanosine kinase, mitochondrial" "Kinase" "Q16854" "DGUOK" "DGUOK_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"vidarabine" 2818 "Ribonucleoside-diphosphate reductase subunit M2" "Enzyme" "P31350" "RRM2" "RIR2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"vidarabine" 2818 "Ribonucleoside-diphosphate reductase large subunit" "Enzyme" "P23921" "RRM1" "RIR1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"vidarabine" 2818 "DNA polymerase alpha catalytic subunit" "Enzyme" "P09884" "POLA1" "DPOLA_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"vidarabine" 2818 "Deoxycytidine kinase" "Kinase" "P27707" "DCK" "DCK_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"vigabatrin" 2819 "Gamma-amino-N-butyrate transaminase" "Unclassified" "P50554" "Abat" "GABT_RAT" 4.38 "IC50" "Inhibition of Rattus norvegicus (rat) brain gamma-amino butyrate aminotransferase using gamma-amino butyrate as substrate assessed as decrease in NADPH generation after 30 min by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL89598" "Rattus norvegicus" +"vigabatrin" 2819 "4-aminobutyrate aminotransferase, mitochondrial" "Enzyme" "P80404" "ABAT" "GABT_HUMAN" "Mechanism of Action; CHEMBL2044; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL89598" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL89598" "INHIBITOR" "Tclin" "Homo sapiens" +"viloxazine" 2820 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 4.32 "Ki" "Inhibition of [3H]- DA reuptake into rat striatal synaptosomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL251072" "Rattus norvegicus" +"viloxazine" 2820 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 4.78 "Ki" "Inhibition of [3H]5-HT reuptake into rat frontal cortex synaptosomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL251072" "Rattus norvegicus" +"viloxazine" 2820 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.81 "Kd" "Equilibrium dissociation constant (KD) for Competitive binding between [3H]WIN-35428 and the compound at human transporter-hDAT" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL251072" "Tclin" "Homo sapiens" +"viloxazine" 2820 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 6.77 "Ki" "Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL251072" "Rattus norvegicus" +"viloxazine" 2820 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.81 "Kd" "Equilibrium dissociation constant (KD) for Competitive binding between [3H]- nisoxatine and the compound at human Norepinephrine transporter" "CHEMBL" "=" 1 "KEGG DRUG" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL251072" "http://www.kegg.jp/entry/D02572" "INHIBITOR" "Tclin" "Homo sapiens" +"viloxazine" 2820 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 4.76 "Kd" "Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERT" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL251072" "Tclin" "Homo sapiens" +"vinblastine" 2823 "Tubulin beta" "Tumour-associated antigen" "P04350|P07437|P68371|Q13509|Q13885|Q3ZCM7|Q9BUF5|Q9BVA1|Q9H4B7" "TUBB|TUBB1|TUBB2A|TUBB2B|TUBB3|TUBB4A|TUBB4B|TUBB6|TUBB8" "TBB1_HUMAN|TBB2A_HUMAN|TBB2B_HUMAN|TBB3_HUMAN|TBB4A_HUMAN|TBB4B_HUMAN|TBB5_HUMAN|TBB6_HUMAN|TBB8_HUMAN" 9 "IC50" "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6851" "http://www.ncbi.nlm.nih.gov/pubmed/19010832" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"vinblastine" 2823 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.728158393 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"vinblastine" 2823 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.297828049 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" +"vinblastine" 2823 "Multidrug resistance-associated protein 7" "Transporter" "Q5T3U5" "ABCC10" "MRP7_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"vinblastine" 2823 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"vinblastine" 2823 "Canalicular multispecific organic anion transporter 1" "Transporter" "Q92887" "ABCC2" "MRP2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"vinblastine" 2823 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 7 "Ki" "High affinity constant at binding site of human P-Glycoprotein (P-gp) in two-affinity model" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL159" "Tchem" "Homo sapiens" +"vinblastine" 2823 "Amine oxidase [flavin-containing] B" "Enzyme" "P56560" "MAOB" "AOFB_BOVIN" 4.11 "Ki" "Inhibitory activity against Monoamine oxidase B isolated from beef liver mitochondria was determined" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL159" "Bos taurus" +"vinburnine" 2824 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 4.2 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=345" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"vinburnine" 2824 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 4.6 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=345" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"vinburnine" 2824 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.1 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=345" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"vinburnine" 2824 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.2 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=345" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"vincristine" 2825 "Tubulin beta" "Tumour-associated antigen" "P04350|P07437|P68371|Q13509|Q13885|Q3ZCM7|Q9BUF5|Q9BVA1|Q9H4B7" "TUBB|TUBB1|TUBB2A|TUBB2B|TUBB3|TUBB4A|TUBB4B|TUBB6|TUBB8" "TBB1_HUMAN|TBB2A_HUMAN|TBB2B_HUMAN|TBB3_HUMAN|TBB4A_HUMAN|TBB4B_HUMAN|TBB5_HUMAN|TBB6_HUMAN|TBB8_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/19010832" "http://www.ncbi.nlm.nih.gov/pubmed/19010832" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"vincristine" 2825 "Multidrug resistance-associated protein 7" "Transporter" "Q5T3U5" "ABCC10" "MRP7_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"vincristine" 2825 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"vincristine" 2825 "Canalicular multispecific organic anion transporter 1" "Transporter" "Q92887" "ABCC2" "MRP2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"vincristine" 2825 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"vincristine" 2825 "Tubulin" "Structural" "Q6B856|Q862F3|Q862L2" "TUBB2B" "Q862F3_BOVIN|Q862L2_BOVIN|TBB2B_BOVIN" 5.74 "IC50" "In vitro inhibition of tubulin polymerization measured as turbidity formed by centrifugation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL90555" "Bos taurus" +"vindesine" 2826 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 4.6073 "Km" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"vinorelbine" 2827 "Tubulin beta" "Tumour-associated antigen" "P04350|P07437|P68371|Q13509|Q13885|Q3ZCM7|Q9BUF5|Q9BVA1|Q9H4B7" "TUBB|TUBB1|TUBB2A|TUBB2B|TUBB3|TUBB4A|TUBB4B|TUBB6|TUBB8" "TBB1_HUMAN|TBB2A_HUMAN|TBB2B_HUMAN|TBB3_HUMAN|TBB4A_HUMAN|TBB4B_HUMAN|TBB5_HUMAN|TBB6_HUMAN|TBB8_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/19010832" "http://www.ncbi.nlm.nih.gov/pubmed/19010832" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"vinorelbine" 2827 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"vinorelbine" 2827 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 6.271199976 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"vinpocetine" 2828 "Phosphodiesterase 1" "Enzyme" "P14100|Q01061" "PDE1A|PDE1B" "PDE1A_BOVIN|PDE1B_BOVIN" 4.72 "IC50" "Evaluated for inhibitory activity against Phosphodiesterase 1 (PDE1) purified from bovine aorta" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL71752" "Bos taurus" +"vinpocetine" 2828 "Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A" "Enzyme" "P54750" "PDE1A" "PDE1A_HUMAN" 5.1 "IC50" "GRAC: human PDE1A selective inhibitor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL71752" "Tclin" "Homo sapiens" +"vinpocetine" 2828 "Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C" "Enzyme" "Q14123" "PDE1C" "PDE1C_HUMAN" 4.3 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=5285" "INHIBITOR" "Tclin" "Homo sapiens" +"retinol" 2831 "Beta-lactoglobulin" "Unclassified" "P02754" "LGB" "LACB_BOVIN" 7.44 "Kd" "Binding affinity to bovine beta-lactoglobulins by fluorescence spectroscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL986" "Bos taurus" +"retinol" 2831 "Retinol-binding protein 4" "Secreted" "P02753" "RBP4" "RET4_HUMAN" 6.74 "Kd" "Binding affinity to His-tagged recombinant human sRBP expressed in Escherichia coli BL21(DE3) assessed as apparent dissociation constant after 5 mins by fluorescence spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL986" "Tchem" "Homo sapiens" +"retinol" 2831 "Retinaldehyde-binding protein 1" "Unclassified" "P12271" "RLBP1" "RLBP1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"retinol" 2831 "Retinol-binding protein 3" "Surface antigen" "P10745" "RBP3" "RET3_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"retinol" 2831 "Retinal dehydrogenase 1" "Enzyme" "P00352" "ALDH1A1" "AL1A1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"retinol" 2831 "Retinal dehydrogenase 2" "Enzyme" "O94788" "ALDH1A2" "AL1A2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"retinol" 2831 "Retinol-binding protein 2" "Cytosolic other" "P50120" "RBP2" "RET2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"retinol" 2831 "Retinoid-binding protein 7" "Cytosolic other" "Q96R05" "RBP7" "RET7_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"retinol" 2831 "Retinol-binding protein 5" "Cytosolic other" "P82980" "RBP5" "RET5_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"retinol" 2831 "Retinol dehydrogenase 13" "Enzyme" "Q8NBN7" "RDH13" "RDH13_HUMAN" "WOMBAT-PK" "Tdark" "Homo sapiens" +"retinol" 2831 "Retinol dehydrogenase 12" "Enzyme" "Q96NR8" "RDH12" "RDH12_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"retinol" 2831 "11-cis retinol dehydrogenase" "Enzyme" "Q92781" "RDH5" "RDH1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"retinol" 2831 "Retinol-binding protein 1" "Cytosolic other" "P09455" "RBP1" "RET1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"retinol" 2831 "Nuclear receptor subfamily 2 group C member 2" "Unclassified" "P49116" "NR2C2" "NR2C2_HUMAN" 4.71 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4053" "AGONIST" "Homo sapiens" +"thiamine" 2832 "Heat shock protein HSP 90-alpha" "Cytosolic other" "P07900" "HSP90AA1" "HS90A_HUMAN" 4.9 "IC50" "Inhibition of recombinant Homo sapiens (human) Hsp90 alpha ATPase activity assessed as inorganic phosphate release by malachite green colorimetric method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1547" "Tchem" "Homo sapiens" +"thiamine" 2832 "Transketolase-like protein 1" "Enzyme" "P51854" "TKTL1" "TKTL1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"thiamine" 2832 "Thiamine-triphosphatase" "Enzyme" "Q9BU02" "THTPA" "THTPA_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"thiamine" 2832 "Thiamin pyrophosphokinase 1" "Kinase" "Q9H3S4" "TPK1" "TPK1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"thiamine" 2832 "Transketolase" "Enzyme" "P29401" "TKT" "TKT_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"thiamine" 2832 "Thiamine transporter 1" "Transporter" "O60779" "SLC19A2" "S19A2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"riboflavin" 2834 "Riboflavin kinase" "Kinase" "Q969G6" "RFK" "RIFK_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"riboflavin" 2834 "Flavin reductase (NADPH)" "Enzyme" "P30043" "BLVRB" "BLVRB_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"riboflavin" 2834 "Riboflavin-binding protein" "Unclassified" "P02752" "RBP_CHICK" 8.3 "Kd" "Binding affinity to chicken riboflavin binding protein assessed as dissociation constant at pH 7.4 in phosphate buffer by isothermal titration calorimetric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1534" "Gallus gallus" +"nicotinic acid" 2835 "Hydroxycarboxylic acid receptor 2" "GPCR" "Q9EP66" "Hcar2" "HCAR2_MOUSE" 6.85 "IC50" "Displacement of [3H]niacin from mouse GPR109A" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL573" "Mus musculus" +"nicotinic acid" 2835 "Hydroxycarboxylic acid receptor 2" "GPCR" "Q80Z39" "Hcar2" "HCAR2_RAT" 7.48 "Ki" "Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL573" "Rattus norvegicus" +"nicotinic acid" 2835 "Hydroxycarboxylic acid receptor 2" "GPCR" "Q8TDS4" "HCAR2" "HCAR2_HUMAN" 7.3 "Ki" "Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in CHO cells" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL573" "http://www.ncbi.nlm.nih.gov/pubmed/17705685" "AGONIST" "Tclin" "Homo sapiens" +"nicotinic acid" 2835 "Nicotinamide phosphoribosyltransferase" "Enzyme" "P43490" "NAMPT" "NAMPT_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"nicotinic acid" 2835 "Nicotinate-nucleotide pyrophosphorylase [carboxylating]" "Enzyme" "Q15274" "QPRT" "NADC_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"nicotinic acid" 2835 "Nicotinamide N-methyltransferase" "Enzyme" "P40261" "NNMT" "NNMT_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"nicotinic acid" 2835 "Hydroxycarboxylic acid receptor 3" "GPCR" "P49019" "HCAR3" "HCAR3_HUMAN" 6.52 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1588" "AGONIST" "Tbio" "Homo sapiens" +"pyridoxine" 2836 "Phosphoserine aminotransferase" "Enzyme" "Q9Y617" "PSAT1" "SERC_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"pyridoxine" 2836 "Cystathionine beta-synthase" "Enzyme" "P35520" "CBS" "CBS_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"pyridoxine" 2836 "Pyridoxal kinase" "Kinase" "O00764" "PDXK" "PDXK_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"pyridoxine" 2836 "Pyridoxal phosphate phosphatase" "Enzyme" "Q96GD0" "PDXP" "PLPP_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"pyridoxine" 2836 "Pyridoxine-5'-phosphate oxidase" "Enzyme" "Q9NVS9" "PNPO" "PNPO_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"pyridoxine" 2836 "Serine hydroxymethyltransferase, cytosolic" "Enzyme" "P34896" "SHMT1" "GLYC_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"ergocalciferol" 2838 "Vitamin D3 receptor" "Nuclear hormone receptor" "P11473" "VDR" "VDR_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1536" "AGONIST" "Tclin" "Homo sapiens" +"ergocalciferol" 2838 "Vitamin D 25-hydroxylase" "Enzyme" "Q6VVX0" "CYP2R1" "CP2R1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"ergocalciferol" 2838 "25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial" "Enzyme" "O15528" "CYP27B1" "CP27B_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"colecalciferol" 2840 "Vitamin D3 receptor" "Nuclear hormone receptor" "P11473" "VDR" "VDR_HUMAN" 9.68 "EC50" "Agonist activity at human VDR expressed in HEK293 cells by luciferase reporter gene assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1042" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1042" "AGONIST" "Tclin" "Homo sapiens" +"colecalciferol" 2840 "Sterol 26-hydroxylase, mitochondrial" "Enzyme" "Q02318" "CYP27A1" "CP27A_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"colecalciferol" 2840 "Vitamin D 25-hydroxylase" "Enzyme" "Q6VVX0" "CYP2R1" "CP2R1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"colecalciferol" 2840 "25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial" "Enzyme" "O15528" "CYP27B1" "CP27B_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"colecalciferol" 2840 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 6.40000009536743 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1042" "Tclin" "Homo sapiens" +"dihydrotachysterol" 2841 "Vitamin D3 receptor" "Nuclear hormone receptor" "P11473" "VDR" "VDR_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"voglibose" 2845 "Glycogen debranching enzyme" "Enzyme" "P35574" "AGL" "GDE_RABIT" 4.15 "IC50" "Inhibition of rabbit muscle amylo-1,6-glucosidase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL476960" "Oryctolagus cuniculus" +"voglibose" 2845 "Lysosomal alpha-glucosidase" "Enzyme" "Q6P7A9" "Gaa" "LYAG_RAT" 6.96 "IC50" "Inhibition of rat intestinal brush border membrane maltase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL476960" "Rattus norvegicus" +"voglibose" 2845 "Sucrase-isomaltase, intestinal" "Enzyme" "P23739" "Si" "SUIS_RAT" 7.15 "IC50" "Inhibition of rat intestinal brush border membrane sucrase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL476960" "Rattus norvegicus" +"voglibose" 2845 "Lysosomal alpha-glucosidase" "Enzyme" "P10253" "GAA" "LYAG_HUMAN" 7.15 "IC50" "Inhibition of maltase in human Caco-2 cell model system after 2 hrs" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL476960" "http://www.ncbi.nlm.nih.gov/pubmed/8536820" "INHIBITOR" "Tclin" "Homo sapiens" +"voriconazole" 2846 "Lanosterol 14-alpha demethylase" "Enzyme" "P10613" "ERG11" "CP51_CANAL" 8.7303 "MIC" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL638" "INHIBITOR" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"voriconazole" 2846 "Lanosterol 14-alpha demethylase" "Enzyme" "P9WPP9" "cyp51" "CP51_MYCTU" 5.8444 "MIC" "WOMBAT-PK" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"voriconazole" 2846 "14-alpha sterol demethylase" "Enzyme" "Q96W81" "cyp51B" "Q96W81_ASPFM" 6.37 "Kd" "Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme B expressed in Escherichia coli" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL638" "Neosartorya fumigata" +"voriconazole" 2846 "14-alpha sterol demethylase Cyp51A" "Enzyme" "Q4WNT5" "Q4WNT5_ASPFU" 5.44 "Kd" "Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme A expressed in Escherichia coli" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL638" "Neosartorya fumigata (strain ATCC MYA-4609 / Af293 / CBS 101355 / FGSC A1100)" +"voriconazole" 2846 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 4.89 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL638" "Tclin" "Homo sapiens" +"voriconazole" 2846 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 4.85 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL638" "Tchem" "Homo sapiens" +"voriconazole" 2846 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 4.82 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL638" "Tchem" "Homo sapiens" +"warfarin" 2847 "Vitamin K epoxide reductase complex subunit 1-like protein 1" "Enzyme" "Q8N0U8" "VKORC1L1" "VKORL_HUMAN" 4.28399658203125 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/23928358" "Tbio" "Homo sapiens" +"warfarin" 2847 "Vitamin K epoxide reductase complex subunit 1" "Enzyme" "Q9BQB6" "VKORC1" "VKOR1_HUMAN" 7 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1464" "INHIBITOR" "Tclin" "Homo sapiens" +"warfarin" 2847 "Proprotein convertase subtilisin/kexin type 7" "Enzyme" "Q16549" "PCSK7" "PCSK7_HUMAN" 4.61 "IC50" "Inhibition of recombinant type 8 subtilisin using Arg-Glu-(EDANS)- Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys-(DALBCYL)-Arg fluorogenic substrate preincubated for 1 hr measured after 1 hr at 1 min interval by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1464" "Tchem" "Homo sapiens" +"warfarin" 2847 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 4.8665 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"warfarin" 2847 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 3.98 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"xamoterol" 2848 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.18 "Kd" "Antagonist activity at human beta2 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated for 15 mins prior to cimaterol induction measured after 5 hrs" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL75753" "Tclin" "Homo sapiens" +"xamoterol" 2848 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 7.75 "Kd" "Antagonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated for 15 mins prior to cimaterol induction measured after 5 hrs" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL75753" "Tclin" "Homo sapiens" +"xamoterol" 2848 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 4.7 "Kd" "Antagonist activity at human beta3 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated for 15 mins prior to cimaterol induction measured after 5 hrs" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL75753" "Tclin" "Homo sapiens" +"ximelagatran" 2852 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 6.4318 "Ki" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/10102460" "INHIBITOR" "Tclin" "Homo sapiens" +"ximelagatran" 2852 "Vitamin K-dependent protein C" "Enzyme" "P04070" "PROC" "PROC_HUMAN" 5.8899998664856 "IC50" "Inhibition of human APC using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL266349" "Tchem" "Homo sapiens" +"ximelagatran" 2852 "Tissue-type plasminogen activator" "Enzyme" "P00750" "PLAT" "TPA_HUMAN" 5.82000017166138 "Ki" "Inhibition of human t-PA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL266349" "Tclin" "Homo sapiens" +"ximelagatran" 2852 "Plasminogen" "Enzyme" "P00747" "PLG" "PLMN_HUMAN" 5.73999977111816 "Ki" "Inhibition of human plasmin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL266349" "Tclin" "Homo sapiens" +"ximelagatran" 2852 "Coagulation factor VII" "Enzyme" "P08709" "F7" "FA7_HUMAN" 5.48000001907349 "IC50" "Inhibition of human coagulation factor 7a using spectrozyme as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotometric analysis in presence of tissue factor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL266349" "Tchem" "Homo sapiens" +"ximelagatran" 2852 "Coagulation factor X" "Enzyme" "P00742" "F10" "FA10_HUMAN" 5.42999982833862 "Ki" "Inhibition of human factor 10a" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL266349" "Tclin" "Homo sapiens" +"ximelagatran" 2852 "Coagulation factor XI" "Enzyme" "P03951" "F11" "FA11_HUMAN" 4.69999980926514 "IC50" "Inhibition of human coagulation factor 11a using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL266349" "Tchem" "Homo sapiens" +"ximelagatran" 2852 "Cationic trypsin" "Enzyme" "P00760" "TRY1_BOVIN" 7.95 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL266349" "Bos taurus" +"zafirlukast" 2855 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 6.113509275 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"zafirlukast" 2855 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.646372241 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"zafirlukast" 2855 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.240256632 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"zafirlukast" 2855 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.419075024 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"zafirlukast" 2855 "Mitogen-activated protein kinase 3" "Kinase" "P27361" "MAPK3" "MK03_HUMAN" 5.358922687 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"zafirlukast" 2855 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 6.452225295 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"zafirlukast" 2855 "Mitogen-activated protein kinase 1" "Kinase" "P28482" "MAPK1" "MK01_HUMAN" 6.269217724 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"zafirlukast" 2855 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 4.8729 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"zafirlukast" 2855 "Leukotriene B4 receptor 1" "GPCR" "Q15722" "LTB4R" "LT4R1_HUMAN" 5.147276089 "Ki" "PDSP" "Tchem" "Homo sapiens" +"zafirlukast" 2855 "Cysteinyl leukotriene receptor 2" "GPCR" "Q9NS75" "CYSLTR2" "CLTR2_HUMAN" 5.15 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3322" "ANTAGONIST" "Tchem" "Homo sapiens" +"zafirlukast" 2855 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.01 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL603" "Tchem" "Homo sapiens" +"zafirlukast" 2855 "Cysteinyl leukotriene receptor 1" "GPCR" "Q2NNR5" "CYSLTR1" "CLTR1_CAVPO" 9.52 "Ki" "Displacement of [3H]LTD4 on guinea pig lung parenchymal membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL603" "Cavia porcellus" +"zafirlukast" 2855 "Cysteinyl leukotriene receptor 1" "GPCR" "Q9Y271" "CYSLTR1" "CLTR1_HUMAN" 9.5 "Ki" "GRAC: human CysLT1 selective antagonist" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL603" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL603" "ANTAGONIST" "Tclin" "Homo sapiens" +"zafirlukast" 2855 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 5.12 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL603" "Tchem" "Homo sapiens" +"zafirlukast" 2855 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.89 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL603" "Tchem" "Homo sapiens" +"zafirlukast" 2855 "Cytosolic phospholipase A2" "Enzyme" "P47712" "PLA2G4A" "PA24A_HUMAN" 4.07 "IC50" "In vitro inhibition of cystolic phospholipase A2 alpha." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL603" "Tchem" "Homo sapiens" +"zalcitabine" 2856 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" 7.29 "Ki" "Inhibitory constant against HIV-1 reverse transcriptase" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL853" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL853" "INHIBITOR" "Human immunodeficiency virus 1" +"zalcitabine" 2856 "Deoxycytidine kinase" "Kinase" "P27707" "DCK" "DCK_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"zaleplon" 2857 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 6.5302 "EC50" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/11755161" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"zaleplon" 2857 "GABA-A receptor alpha-2/beta-3/gamma-2" "Ion channel" "P18507|P28472|P47869" "GABRA2|GABRB3|GABRG2" "GBRA2_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 5.7889 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1521" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"zanamivir" 2859 "Neuraminidase" "Enzyme" "P16207" "NA" "NRAM_INBVI" 8.4 "IC50" "WOMBAT-PK" "=" "Influenza B virus (strain B/Victoria/3/1985)" +"zanamivir" 2859 "Sialidase 3" "Enzyme" "Q9UQ49" "NEU3" "NEUR3_HUMAN" 5.17 "IC50" "Inhibition of human NEU3 expressed in HEK293 cells by fluorometric high-performance liquid chromatography using ganglioside GM3 substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL222813" "Tbio" "Homo sapiens" +"zanamivir" 2859 "Neuraminidase" "Enzyme" "P03468" "NA" "NRAM_I34A1" 9.3 "IC50" "Inhibitory activity was determined against Neuraminidase A from influenza virus A/Tokyo/3/67" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL222813" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL222813" "INHIBITOR" "Influenza A virus (strain A/Puerto Rico/8/1934 H1N1)" +"zanamivir" 2859 "Neuraminidase" "Enzyme" "B4URF0" "NA" "B4URF0_9INFA" 8.62 "IC50" "Inhibition of influenza A virus A/WSN/1933 H1N1 neuraminidase using NA-STAR substrate after 15 mins incubation at room temperature by fluorescent assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL222813" "Influenza A virus (A/WSN/1933(H1N1))" +"zanamivir" 2859 "Neuraminidase" "Enzyme" "P03474" "NA" "NRAM_INBLE" 10 "Ki" "Inhibition of influenza B/Memphis/3/89 neuraminidase" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL222813" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL222813" "INHIBITOR" "Influenza B virus (strain B/Lee/1940)" +"zanamivir" 2859 "Sialidase 2" "Enzyme" "Q9Y3R4" "NEU2" "NEUR2_HUMAN" 4.77 "Ki" "Inhibition of human neuraminidase 2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL222813" "Tbio" "Homo sapiens" +"zanamivir" 2859 "Neuraminidase" "Enzyme" "C4LRQ6" "NA" "C4LRQ6_9INFA" 9.3 "Ki" "Inhibition of Influenza A virus (A/duck/Laos/25/2006(H5N1)) neuraminidase by Michaelis-Menten equation analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL222813" "Influenza A virus (A/duck/Laos/25/2006(H5N1))" +"zanamivir" 2859 "Neuraminidase" "Enzyme" "Q2LFS1" "NA" "Q2LFS1_9INFA" 9.4 "Ki" "Inhibition of Influenza A virus (A/chicken/Yogjakarta/BBVet-IX/2004(H5N1)) neuraminidase by Michaelis-Menten equation analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL222813" "Influenza A virus (A/chicken/Yogjakarta/BBVet-IX/2004(H5N1))" +"zanamivir" 2859 "Neuraminidase" "Enzyme" "A5Z252" "NA" "A5Z252_9INFA" 9 "Ki" "Inhibition of Influenza A virus (A/Turkey/651242/2006(H5N1)) neuraminidase by Michaelis-Menten equation analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL222813" "Influenza A virus (A/Turkey/651242/2006(H5N1))" +"zanamivir" 2859 "Neuraminidase" "Enzyme" "Q6Q793" "Q6Q793_9INFA" 9.3 "Ki" "Inhibition of Influenza A virus (A/Thailand/1(KAN-1)/2004(H5N1)) neuraminidase by by Michaelis-Menten equation analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL222813" "Influenza A virus (A/Thailand/1(KAN-1)/2004(H5N1))" +"zanamivir" 2859 "Neuraminidase" "Enzyme" "Q75VQ4" "NA" "NRAM_I68A0" 8.58 "IC50" "Inhibition of human influenza A virus A/Aichi/2/1968(H3N2) neuraminidase by fluorometric method using 4MU-NeuAc substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL222813" "Influenza A virus (strain A/Aichi/2/1968 H3N2)" +"zanamivir" 2859 "Neuraminidase" "Enzyme" "P03470" "NA" "NRAM_I33A0" 8.54 "IC50" "Inhibition of wild type Influenza A virus A/WSN/1933(H1N1) neuraminidase in virus-infected allantoic fluid using 2'-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid as substrate incubated for 10 mins prior to substrate addition by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL222813" "Influenza A virus (strain A/Wilson-Smith/1933 H1N1)" +"zanamivir" 2859 "Neuraminidase" "Enzyme" "Q194T1" "Q194T1_9INFA" 5.85 "IC50" "Inhibition of Influenza A virus (A/RI/5+/1957(H2N2)) recombinant neuraminidase using MUNANA as substrate after 30 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL222813" "Influenza A virus (A/RI/5+/1957(H2N2))" +"zanamivir" 2859 "Neuraminidase" "Enzyme" "Q20MD3" "NA" "Q20MD3_9INFA" 7.64 "IC50" "Inhibition of Influenza A virus A/Udorn/1972(H3N2) neuraminidase in virus-infected allantoic fluid using 2'-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid as substrate incubated for 10 mins prior to substrate addition by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL222813" "Influenza A virus (A/udorn/1972(H3N2))" +"zidovudine" 2861 "Thymidine kinase" "Unclassified" "Q9PPP5" "tdk" "KITH_UREPA" 4.9 "IC50" "Inhibition of Ureaplasma parvum thymidine kinase by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL129" "Ureaplasma parvum serovar 3 (strain ATCC 700970)" +"zidovudine" 2861 "Thymidylate kinase" "Kinase" "P9WKE1" "tmk" "KTHY_MYCTU" 4.55 "Ki" "Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL129" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"zidovudine" 2861 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" 8.52 "IC50" "Inhibitory concentration against human immunodeficiency virus type 1 (HIV-1 strain IIIB RT) reverse transcriptase was determined by triplicate assay at low (~0.1 pfu/cell) multiplicity of injection (moi)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL129" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL129" "INHIBITOR" "Human immunodeficiency virus 1" +"zidovudine" 2861 "Pol polyprotein" "Enzyme" "Q72874" "pol" "Q72874_9HIV1" 8.22 "IC50" "Inhibitory effect on HIV-1 RT activity using template primer,poly (rA)-oligo (dT)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL129" "Human immunodeficiency virus 1" +"zidovudine" 2861 "Thymidine kinase, cytosolic" "Kinase" "P04183" "TK1" "KITH_HUMAN" 5.54 "Ki" "Inhibitory affect against rabbit thymus thymidine kinase and represented as molt/4F kinase." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL129" "Tchem" "Homo sapiens" +"zidovudine" 2861 "Gag-Pro-Pol polyprotein" "Polyprotein" "P03362" "gag-pro-pol" "POL_HTL1A" 8.31 "EC50" "WOMBAT-PK" "=" "Human T-cell leukemia virus 1 (strain Japan ATK-1 subtype A)" +"zidovudine" 2861 "Thymidylate kinase" "Kinase" "P23919" "DTYMK" "KTHY_HUMAN" 4.55 "Ki" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"zidovudine" 2861 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.51 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"zidovudine" 2861 "Reverse transcriptase/RNaseH" "Enzyme" "Q72549" "pol" "Q72549_9HIV1" 6.11 "IC50" "WOMBAT-PK" "=" "Human immunodeficiency virus 1" +"zidovudine" 2861 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 4 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"zidovudine" 2861 "Reverse transcriptase" "Enzyme" "Q9WKE8" "reverse transcriptas" "Q9WKE8_9HIV1" 4.74 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL129" "Human immunodeficiency virus 1" +"zileuton" 2862 "Bifunctional epoxide hydrolase 2" "Enzyme" "P34913" "EPHX2" "HYES_HUMAN" 6.23 "IC50" "Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-oxiraneacetic acid as substrate after 30 mins by fluorescence-based assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL93" "Tchem" "Homo sapiens" +"zileuton" 2862 "Arachidonate 5-lipoxygenase-activating protein" "Cytosolic other" "P20292" "ALOX5AP" "AL5AP_HUMAN" 5.66 "IC50" "Inhibition of FLAP in human whole blood assessed as inhibition of calcium ionophore A23187-induced LTB4 production preincubated for 15 mins by ELISA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL93" "Tchem" "Homo sapiens" +"zileuton" 2862 "Arachidonate 5-lipoxygenase" "Enzyme" "P12527" "Alox5" "LOX5_RAT" 6.85 "IC50" "Inhibition of 5-Lipoxygenase of rat basophilic leukemia cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL93" "Rattus norvegicus" +"zileuton" 2862 "Leukotriene B4 receptor 1" "GPCR" "Q15722" "LTB4R" "LT4R1_HUMAN" 6.38 "IC50" "In vitro activities of Leukotriene B4 receptor (LTB4) in human neutrophils" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL93" "Tchem" "Homo sapiens" +"zileuton" 2862 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" 6.52 "IC50" "Inhibition of 5-LOX (unknown origin) using arachidonic acid as substrate after 5 mins by EIA" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL93" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL93" "INHIBITOR" "Tclin" "Homo sapiens" +"zileuton" 2862 "Cysteinyl leukotriene receptor 2" "GPCR" "Q9NS75" "CYSLTR2" "CLTR2_HUMAN" 5.824 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"zileuton" 2862 "Leukotriene A-4 hydrolase" "Enzyme" "P09960" "LTA4H" "LKHA4_HUMAN" 6.0706 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"zileuton" 2862 "Arachidonate 5-lipoxygenase" "Enzyme" "P48999" "Alox5" "LOX5_MOUSE" 6.72 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL93" "Mus musculus" +"zimeldine" 2863 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.818156412 "Ki" "PDSP" "Tclin" "Homo sapiens" +"zimeldine" 2863 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.727230413 "Ki" "PDSP" "Tclin" "Homo sapiens" +"zimeldine" 2863 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.026872146 "Ki" "PDSP" "Tclin" "Homo sapiens" +"ziprasidone" 2865 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.3 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tchem" "Homo sapiens" +"ziprasidone" 2865 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.14 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"ziprasidone" 2865 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 6.53610706329346 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"ziprasidone" 2865 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.56495237350464 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"ziprasidone" 2865 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 8.04575729370117 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"ziprasidone" 2865 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.45593214035034 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"ziprasidone" 2865 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 6.81815624237061 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"ziprasidone" 2865 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"ziprasidone" 2865 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.11350917816162 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"ziprasidone" 2865 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.31875896453857 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"ziprasidone" 2865 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.59006690979004 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"ziprasidone" 2865 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 8.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=59" "AGONIST" "Tclin" "Homo sapiens" +"ziprasidone" 2865 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.89 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"ziprasidone" 2865 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.4 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL708" "ANTAGONIST" "Tclin" "Homo sapiens" +"ziprasidone" 2865 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.32 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL708" "ANTAGONIST" "Tclin" "Homo sapiens" +"ziprasidone" 2865 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 6.44 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"ziprasidone" 2865 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 6.4 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ziprasidone" 2865 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 8.7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ziprasidone" 2865 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.55 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ziprasidone" 2865 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.33 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ziprasidone" 2865 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ziprasidone" 2865 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 8.3 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ziprasidone" 2865 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.22 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"ziprasidone" 2865 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.47 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ziprasidone" 2865 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ziprasidone" 2865 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.92 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ziprasidone" 2865 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.3 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"ziprasidone" 2865 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.356547324 "Ki" "PDSP" "Tclin" "Homo sapiens" +"ziprasidone" 2865 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.795880017 "Ki" "PDSP" "Tclin" "Homo sapiens" +"ziprasidone" 2865 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.795880017 "Ki" "PDSP" "Tclin" "Homo sapiens" +"ziprasidone" 2865 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.522878745 "Ki" "PDSP" "Tclin" "Homo sapiens" +"ziprasidone" 2865 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.301029996 "Ki" "PDSP" "Tclin" "Homo sapiens" +"ziprasidone" 2865 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 7.32 "Ki" "Binding affinity to rat NET" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL708" "Rattus norvegicus" +"ziprasidone" 2865 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 8.02 "Ki" "Binding affinity against dopamine receptor D1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL708" "Tclin" "Homo sapiens" +"ziprasidone" 2865 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 6.82 "IC50" "Displacement of [3H]mepyramine from H1R in rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL708" "Rattus norvegicus" +"ziprasidone" 2865 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 7.96 "Ki" "Displacement of [3H]prazosin from Alpha-1 adrenergic receptor in rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL708" "Rattus norvegicus" +"ziprasidone" 2865 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 9.3 "Ki" "Displacement of [3H]prazosin from rat adrenergic alpha1A receptor expressed in fibroblast cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL708" "Rattus norvegicus" +"ziprasidone" 2865 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 8.32 "Ki" "Displacement of [3H]NPA from rat brain Dopamine receptor D2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL708" "Rattus norvegicus" +"ziprasidone" 2865 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"ziprasidone" 2865 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 9.38 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL708" "Rattus norvegicus" +"ziprasidone" 2865 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 7.8 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL708" "Cavia porcellus" +"zofenopril" 2866 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 9.4 "IC50" "Inhibitory activity against angiotensin I converting enzyme (ACE)" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL16332" "http://www.ncbi.nlm.nih.gov/pubmed/2484083" "INHIBITOR" "Tclin" "Homo sapiens" +"zofenopril" 2866 "Angiotensin-converting enzyme" "Enzyme" "P12822" "ACE" "ACE_RABIT" 9.4 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL16332" "Oryctolagus cuniculus" +"zofenopril" 2866 "Angiotensin-converting enzyme" "Enzyme" "P47820" "Ace" "ACE_RAT" 8.1 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL16332" "Rattus norvegicus" +"zoledronic acid" 2868 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 4.28 "IC50" "Inhibition of MMP9 catalytic domain (unknown origin) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 30 mins prior to substrate addition measured after 2 to 4 hrs by fluorometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL924" "Tchem" "Homo sapiens" +"zoledronic acid" 2868 "72 kDa type IV collagenase" "Enzyme" "P08253" "MMP2" "MMP2_HUMAN" 5.15 "IC50" "Inhibition of APMA-activated recombinant human MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 30 mins prior to substrate addition measured after 2 to 4 hrs by fluorometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL924" "Tchem" "Homo sapiens" +"zoledronic acid" 2868 "Farnesyl pyrophosphate synthase" "Enzyme" "P14324" "FDPS" "FPPS_HUMAN" 10.15 "Ki" "Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL924" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL924" "INHIBITOR" "Tclin" "Homo sapiens" +"zoledronic acid" 2868 "Neutrophil collagenase" "Enzyme" "P22894" "MMP8" "MMP8_HUMAN" 4.75 "IC50" "Inhibition of MMP8 catalytic domain (unknown origin) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 30 mins prior to substrate addition measured after 2 to 4 hrs by fluorometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL924" "Tclin" "Homo sapiens" +"zoledronic acid" 2868 "Geranylgeranyl pyrophosphate synthase" "Enzyme" "O95749" "GGPS1" "GGPPS_HUMAN" 5.57 "Ki" "Binding affinity to human GGPPS" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL924" "Tchem" "Homo sapiens" +"zoledronic acid" 2868 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 7.21 "IC50" "Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL924" "Tclin" "Homo sapiens" +"zoledronic acid" 2868 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 7.04 "IC50" "Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL924" "Tclin" "Homo sapiens" +"zoledronic acid" 2868 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 6.5 "IC50" "Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL924" "Tclin" "Homo sapiens" +"zoledronic acid" 2868 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 5.27 "IC50" "Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL924" "Tclin" "Homo sapiens" +"zoledronic acid" 2868 "Geranylgeranyl pyrophosphate synthase" "Enzyme" "Q12051" "BTS1" "GGPPS_YEAST" 6.59 "Ki" "Binding affinity to Saccharomyces cerevisiae GGPPS" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL924" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"zoledronic acid" 2868 "Farnesyl pyrophosphate synthase" "Enzyme" "Q0GKD7" "Q0GKD7_LEIDO" 7.96 "Ki" "Binding affinity towards Farnesyl diphosphate synthase from leishmania major" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL924" "Leishmania donovani" +"zoledronic acid" 2868 "Matrix metalloproteinase-14" "Enzyme" "P50281" "MMP14" "MMP14_HUMAN" 4.9 "IC50" "Inhibition of MMP14 catalytic domain (unknown origin) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 30 mins prior to substrate addition measured after 2 to 4 hrs by fluorometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL924" "Tchem" "Homo sapiens" +"zoledronic acid" 2868 "Farnesyl diphosphate synthase" "Enzyme" "P22939" "ispA" "ISPA_ECOLI" 5.96 "IC50" "Inhibition of Escherichia coli FPPS" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL924" "Escherichia coli (strain K12)" +"zoledronic acid" 2868 "Farnesyl pyrophosphate synthase" "Unclassified" "P05369" "Fdps" "FPPS_RAT" 6.3 "IC50" "in vitro using kidney cell lines" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3177" "INHIBITOR" "Rattus norvegicus" +"zolmitriptan" 2869 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 8.9 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1185" "AGONIST" "Tclin" "Homo sapiens" +"zolmitriptan" 2869 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.7 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1185" "AGONIST" "Tclin" "Homo sapiens" +"zolmitriptan" 2869 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 8.15 "Kd" "Binding affinity against Alpha-2 adrenergic receptor in rat cortex using [3H]-idazoxan as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1185" "Rattus norvegicus" +"zolmitriptan" 2869 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 10.4 "Kd" "Binding affinity against Dopamine receptor D2 in rat striatum using [3H]-spiperone as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1185" "Rattus norvegicus" +"zolmitriptan" 2869 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 9.52 "Kd" "Binding affinity against dopamine receptor D1 in rat striatum using [3H]SCH-23390 as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1185" "Rattus norvegicus" +"zolmitriptan" 2869 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 7.45 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"zolmitriptan" 2869 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 7.7 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"zolmitriptan" 2869 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.6 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"zolpidem" 2870 "Gamma-aminobutyric acid receptor subunit alpha-2" "Ion channel" "P23576" "Gabra2" "GBRA2_RAT" 6.12 "Ki" "Displacement of [3H]flumazenil from rat GABA-A alpha-2-beta-2-gamma-2 receptor expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL911" "Rattus norvegicus" +"zolpidem" 2870 "Gamma-aminobutyric acid receptor subunit alpha-5" "Ion channel" "P19969" "Gabra5" "GBRA5_RAT" 7.46 "Ki" "Displacement of [3H]flumazenil from rat GABA-A alpha-5-beta-3-gamma-2 receptor expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL911" "Rattus norvegicus" +"zolpidem" 2870 "GABA A receptor alpha-6/beta-2/gamma-2" "Ion channel" "P18508|P30191|P63138" "Gabra6|Gabrb2|Gabrg2" "GBRA6_RAT|GBRB2_RAT|GBRG2_RAT" 6.01 "Ki" "Binding affinity for mutant rat GABA-A receptor alpha-6-(his,thr,gly)beta2gamma2 subunits expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL911" "Rattus norvegicus" +"zolpidem" 2870 "GABA-A receptor; anion channel" "Ion channel" "O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14" "Gabra1|Gabra2|Gabra3|Gabra4|Gabra5|Gabra6|Gabrb1|Gabrb2|Gabrb3|Gabrd|Gabre|Gabrg1|Gabrg2|Gabrg3|Gabrp|Gabrq" "GBRA1_RAT|GBRA2_RAT|GBRA3_RAT|GBRA4_RAT|GBRA5_RAT|GBRA6_RAT|GBRB1_RAT|GBRB2_RAT|GBRB3_RAT|GBRD_RAT|GBRE_RAT|GBRG1_RAT|GBRG2_RAT|GBRG3_RAT|GBRP_RAT|Q91ZM7_RAT" 7.6 "Ki" "Displacement of [3H]- flunitrazepam from rat GABA-A benzodiazepine receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL911" "Rattus norvegicus" +"zolpidem" 2870 "GABA-A receptor; alpha-1/beta-2/gamma-2" "Ion channel" "P18508|P62813|P63138" "Gabra1|Gabrb2|Gabrg2" "GBRA1_RAT|GBRB2_RAT|GBRG2_RAT" 7.72 "Ki" "Binding affinity for rat GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL911" "Rattus norvegicus" +"zolpidem" 2870 "Translocator protein" "Membrane receptor" "P16257" "Tspo" "TSPO_RAT" 5.33 "IC50" "Displacement of Ro 5-4864 from peripheral (renal cell) Benzodiazepine receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL911" "Rattus norvegicus" +"zolpidem" 2870 "GABA A receptor alpha-2/beta-2/gamma-2" "Ion channel" "P18508|P23576|P63138" "Gabra2|Gabrb2|Gabrg2" "GBRA2_RAT|GBRB2_RAT|GBRG2_RAT" 6.81 "Ki" "Binding affinity for recombinant rat GABA-A receptor alpha-2-beta-2-gamma-2 subunits expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL911" "Rattus norvegicus" +"zolpidem" 2870 "Gamma-aminobutyric acid receptor subunit alpha-1" "Ion channel" "P62813" "Gabra1" "GBRA1_RAT" 7.3 "Ki" "Displacement of [3H]flumazenil from rat GABA-A alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL911" "Rattus norvegicus" +"zolpidem" 2870 "GABA A receptor alpha-3/beta-2/gamma-2" "Ion channel" "P18508|P20236|P63138" "Gabra3|Gabrb2|Gabrg2" "GBRA3_RAT|GBRB2_RAT|GBRG2_RAT" 6.42 "Ki" "Displacement of [3H]Ro-151788 from rat GABA-A receptor alpha-3-beta-2-gamma-2 subunits expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL911" "Rattus norvegicus" +"zolpidem" 2870 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 6.7033 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL911" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"zolpidem" 2870 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRB3|GABRG2" "GBRA1_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 7.5735 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL911" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"zolpidem" 2870 "GABA-A receptor alpha-2/beta-3/gamma-2" "Ion channel" "P18507|P28472|P47869" "GABRA2|GABRB3|GABRG2" "GBRA2_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 6.8069 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL911" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"zolpidem" 2870 "GABA A receptor alpha-3/beta-2/gamma-2" "Ion channel" "P18507|P34903|P47870" "GABRA3|GABRB2|GABRG2" "GBRA3_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 6.1643 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL911" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"zolpidem" 2870 "GABA-A receptor alpha-3/beta-3/gamma-2" "Ion channel" "P18507|P28472|P34903" "GABRA3|GABRB3|GABRG2" "GBRA3_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 6.4168 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL911" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"zolpidem" 2870 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 3.7033 "Km" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"zolpidem" 2870 "Gamma-aminobutyric acid receptor subunit alpha-1" "Ion channel" "P14867" "GABRA1" "GBRA1_HUMAN" 7.68 "Ki" "Assay using recombinant GABAA channels with subunit composition; α1β3γ2." "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4348" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4348" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"zolpidem" 2870 "Gamma-aminobutyric acid receptor subunit alpha-2" "Ion channel" "P47869" "GABRA2" "GBRA2_HUMAN" 6.3899998664856 "Ki" "Displacement of [3H]Ro-151788 from benzodiazepine binding site of GABAA alpha-2-beta-2-gamma-2 receptor expressed in HEK293T cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL911" "Tclin" "Homo sapiens" +"zolpidem" 2870 "Gamma-aminobutyric acid receptor subunit alpha-3" "Ion channel" "P34903" "GABRA3" "GBRA3_HUMAN" 6.01000022888184 "Ki" "Displacement of [3H]Ro-151788 from benzodiazepine binding site of GABAA alpha-3-beta-2-gamma-2 receptor expressed in HEK293T cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL911" "Tclin" "Homo sapiens" +"zolpidem" 2870 "CAAX prenyl protease 2" "Unclassified" "Q03530" "RCE1" "RCE1_YEAST" 4.77 "AC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL911" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"zomepirac" 2871 "Cyclooxygenase" "Enzyme" "O62664|O62698" "PTGS1|PTGS2" "PGH1_BOVIN|PGH2_BOVIN" 4.82 "IC50" "Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19490" "Bos taurus" +"zomepirac" 2871 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 7.017728767 "Ki" "PDSP" "Tclin" "Homo sapiens" +"zomepirac" 2871 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 6.366531544 "Ki" "PDSP" "Tclin" "Homo sapiens" +"zonisamide" 2872 "Sodium channel protein type 1 subunit alpha" "Ion channel" "P35498" "SCN1A" "SCN1A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL750" "BLOCKER" "Tclin" "Homo sapiens" +"zonisamide" 2872 "Carbonic anhydrase" "Unclassified" "C0IX24" "CA2" "C0IX24_9CNID" 6.19 "Ki" "Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL750" "Stylophora pistillata" +"zonisamide" 2872 "Delta carbonic anhydrase" "Unclassified" "Q5U9J1" "ca1" "Q5U9J1_THAWE" 6.39 "Ki" "Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL750" "Thalassiosira weissflogii" +"zonisamide" 2872 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 7.7 "Ki" "Inhibition of human recombinant CA5A by CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL750" "Tclin" "Homo sapiens" +"zonisamide" 2872 "Carbonic anhydrase 2" "Unclassified" "Q3I4V7" "CAN2" "Q3I4V7_CRYNV" 6.01 "Ki" "Inhibition of Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL750" "Cryptococcus neoformans var. grubii" +"zonisamide" 2872 "Carbonic anhydrase" "Enzyme" "P53615" "NCE103" "CAN_YEAST" 6.97 "Ki" "Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL750" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"zonisamide" 2872 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 5.28 "Ki" "Inhibitory constant against human carbonic anhydrase XIV in CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL750" "Tclin" "Homo sapiens" +"zonisamide" 2872 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 6.93 "Ki" "Inhibition of human recombinant CA7 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL750" "Tclin" "Homo sapiens" +"zonisamide" 2872 "Carbonic anhydrase" "Enzyme" "O24855" "cynT" "CYNT_HELPY" 6.66 "Ki" "Inhibition of Helicobacter pylori recombinant CA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL750" "Helicobacter pylori (strain ATCC 700392 / 26695)" +"zonisamide" 2872 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 6.2 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL750" "Mus musculus" +"zonisamide" 2872 "Alpha carbonic anhydrase" "Unclassified" "B5SU02" "CA" "B5SU02_9CNID" 6.59 "Ki" "Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL750" "Stylophora pistillata" +"zonisamide" 2872 "Carbonic anhydrase V" "Enzyme" "P35218|Q9Y2D0" "CA5A|CA5B" "CAH5A_HUMAN|CAH5B_HUMAN" 7.69 "Ki" "Mean inhibitory constant towards human carbonic anhydrase V determined by spectrophotometric dansylamide binding assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL750" "Tclin|Tclin" "Homo sapiens" +"zonisamide" 2872 "Probable transmembrane carbonic anhydrase (Carbonate dehydratase) (Carbonic dehydratase); Transmembrane carbonic anhydrase" "Enzyme" "P96878" "P96878_MYCTU" 6.68 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant Rv3273 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL750" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"zonisamide" 2872 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.07 "Ki" "Inhibition of truncated human cloned membrane-associated carbonic anhydrase 4 preincubated for 15 mins by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL750" "Tclin" "Homo sapiens" +"zonisamide" 2872 "Carbonic anhydrase 3" "Enzyme" "Q3SZX4" "CA3" "CAH3_BOVIN" 5.07 "Ki" "Inhibition of bovine carbonic anhydrase 3 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL750" "Bos taurus" +"zonisamide" 2872 "Astrosclerin-3" "Unclassified" "A6YCJ1" "A6YCJ1_9METZ" 6.78 "Ki" "Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL750" "Astrosclera willeyana" +"zonisamide" 2872 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 5.22 "Ki" "Inhibition of human recombinant CA5B by CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL750" "Tclin" "Homo sapiens" +"zonisamide" 2872 "Amine oxidase [flavin-containing] B" "Enzyme" "P19643" "Maob" "AOFB_RAT" 5.54 "Ki" "Competitive inhibition of rat MAO B by spectrophotometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL750" "Rattus norvegicus" +"zonisamide" 2872 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 5.51 "Ki" "Competitive inhibition of human MAO B by spectrophotometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL750" "Tclin" "Homo sapiens" +"zonisamide" 2872 "Amine oxidase [flavin-containing]" "Unclassified" "Q6NSN2" "mao" "AOF_DANRE" 4.51 "Ki" "Competitive inhibition of zebrafish MAO by spectrophotometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL750" "Danio rerio" +"zonisamide" 2872 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 7.46 "Ki" "Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL750" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"zonisamide" 2872 "Beta-carbonic anhydrase 1" "Enzyme" "P9WPJ7" "mtcA1" "MTCA1_MYCTU" 4.54 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase 1 encoded by Rv1284 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL750" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"zonisamide" 2872 "Carbonic anhydrase 2" "Enzyme" "P9WPJ9" "mtcA2" "MTCA2_MYCTU" 6.06 "Ki" "Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL750" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"zonisamide" 2872 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 6.37 "Ki" "Inhibition of human recombinant CA13 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL750" "Tclin" "Homo sapiens" +"zonisamide" 2872 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 7.05 "Ki" "Inhibition of human full length recombinant carbonic anhydrase 6 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL750" "Tclin" "Homo sapiens" +"zonisamide" 2872 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 8.301 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"zonisamide" 2872 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 7.2518 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"zonisamide" 2872 "Voltage-dependent T-type calcium channel subunit alpha-1G" "Ion channel" "O43497" "CACNA1G" "CAC1G_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"zonisamide" 2872 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 6.99 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"zonisamide" 2872 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 4.96 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7047" "INHIBITOR" "Tclin" "Homo sapiens" +"zonisamide" 2872 "Carbonic anhydrase" "Unclassified" "Q5TU56" "Q5TU56_ANOGA" 6.58 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL750" "Anopheles gambiae" +"zonisamide" 2872 "Carbonic anhydrase" "Enzyme" "Q6FTL6" "Q6FTL6_CANGA" 6.94 "Ki" "Inhibition of recombinant full length Candida glabrata NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL750" "Candida glabrata (strain ATCC 2001 / CBS 138 / JCM 3761 / NBRC 0622 / NRRL Y-65)" +"zopiclone" 2873 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 7.1759 "Ki" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021476s030lbl.pdf" "POSITIVE MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"zopiclone" 2873 "GABA A receptor alpha-3/beta-2/gamma-2" "Ion channel" "P18507|P34903|P47870" "GABRA3|GABRB2|GABRG2" "GBRA3_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 6.5817 "Ki" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021476s030lbl.pdf" "POSITIVE MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"zopiclone" 2873 "GABA A receptor alpha-3/beta-2/gamma-3" "Ion channel" "P34903|P47870|Q99928" "GABRA3|GABRB2|GABRG3" "GBRA3_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" 6.4881 "Ki" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021476s030lbl.pdf" "POSITIVE MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"zopiclone" 2873 "GABA-A receptor alpha-1/beta-2/gamma-3" "Ion channel" "P14867|P47870|Q99928" "GABRA1|GABRB2|GABRG3" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" 7.1549 "Ki" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021476s030lbl.pdf" "POSITIVE MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"zopiclone" 2873 "GABA A receptor alpha-5/beta-2/gamma-2" "Ion channel" "P18507|P31644|P47870" "GABRA5|GABRB2|GABRG2" "GBRA5_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 7.2782 "Ki" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021476s030lbl.pdf" "POSITIVE MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"zopiclone" 2873 "GABA A receptor alpha-5/beta-2/gamma-3" "Ion channel" "P31644|P47870|Q99928" "GABRA5|GABRB2|GABRG3" "GBRA5_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" 6.7496 "Ki" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021476s030lbl.pdf" "POSITIVE MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"zopiclone" 2873 "GABA-A receptor; anion channel" "Ion channel" "O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14" "Gabra1|Gabra2|Gabra3|Gabra4|Gabra5|Gabra6|Gabrb1|Gabrb2|Gabrb3|Gabrd|Gabre|Gabrg1|Gabrg2|Gabrg3|Gabrp|Gabrq" "GBRA1_RAT|GBRA2_RAT|GBRA3_RAT|GBRA4_RAT|GBRA5_RAT|GBRA6_RAT|GBRB1_RAT|GBRB2_RAT|GBRB3_RAT|GBRD_RAT|GBRE_RAT|GBRG1_RAT|GBRG2_RAT|GBRG3_RAT|GBRP_RAT|Q91ZM7_RAT" 7.54 "IC50" "Binding affinity against central benzodiazepine receptor(CBR)." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL135400" "Rattus norvegicus" +"zopiclone" 2873 "GABA A receptor alpha-5/beta-3/gamma-3" "Ion channel" "P28472|P31644|Q99928" "GABRA5|GABRB3|GABRG3" "GBRA5_HUMAN|GBRB3_HUMAN|GBRG3_HUMAN" 6.7496 "Ki" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021476s030lbl.pdf" "POSITIVE MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"zopiclone" 2873 "GABA-A receptor alpha-5/beta-3/gamma-2" "Ion channel" "P18507|P28472|P31644" "GABRA5|GABRB3|GABRG2" "GBRA5_HUMAN|GBRB3_HUMAN|GBRG2_HUMAN" 7.2782 "Ki" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021476s030lbl.pdf" "POSITIVE MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"zotepine" 2875 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.63827228546143 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"zotepine" 2875 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 5.70399332046509 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"zotepine" 2875 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.1549015045166 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"zotepine" 2875 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.44117164611816 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"zotepine" 2875 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 7.53760194778442 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"zotepine" 2875 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 6.32605791091919 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"zotepine" 2875 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 8.30103015899658 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"zotepine" 2875 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.82102298736572 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"zotepine" 2875 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.30103015899658 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"zotepine" 2875 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 6.60554838180542 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"zotepine" 2875 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.13667726516724 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"zotepine" 2875 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.0157585144043 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"zotepine" 2875 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 8.2725772857666 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"zotepine" 2875 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.74472761154175 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"zotepine" 2875 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.68590784072876 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"zotepine" 2875 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.58502674102783 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"zotepine" 2875 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.3936185836792 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"zotepine" 2875 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.85387182235718 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"zotepine" 2875 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 9.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=103" "ANTAGONIST" "Tclin" "Homo sapiens" +"zotepine" 2875 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 8.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=103" "ANTAGONIST" "Tchem" "Homo sapiens" +"zotepine" 2875 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 8.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=103" "ANTAGONIST" "Tclin" "Homo sapiens" +"zotepine" 2875 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=103" "ANTAGONIST" "Tclin" "Homo sapiens" +"zotepine" 2875 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 6.5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=103" "ANTAGONIST" "Tchem" "Homo sapiens" +"zotepine" 2875 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.48 "Ki" "Binding affinity towards human 5-hydroxytryptamine 1 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL285802" "Tclin" "Homo sapiens" +"zotepine" 2875 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.96 "Ki" "Binding affinity towards human D2 dopamine receptor." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL285802" "Tclin" "Homo sapiens" +"zotepine" 2875 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.54 "Ki" "Binding affinity against dopamine receptor D1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL285802" "Tclin" "Homo sapiens" +"zotepine" 2875 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.41 "Ki" "Binding affinity towards human dopamine-4.2 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL285802" "Tchem" "Homo sapiens" +"zotepine" 2875 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.54 "Ki" "Binding affinity towards human serotonin 5-hydroxytryptamine 2C receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL285802" "Tclin" "Homo sapiens" +"zotepine" 2875 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.04 "Ki" "Binding affinity towards human serotonin 5-hydroxytryptamine 2A receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL285802" "Tclin" "Homo sapiens" +"zotepine" 2875 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 9.21 "Ki" "Binding affinity towards human H1 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL285802" "Tclin" "Homo sapiens" +"zotepine" 2875 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.19 "Ki" "Binding affinity towards human dopamine receptor D3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL285802" "Tclin" "Homo sapiens" +"zotepine" 2875 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.26 "Ki" "Binding affinity towards human muscarinic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL285802" "Tclin" "Homo sapiens" +"zotepine" 2875 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.15 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=103" "INHIBITOR" "Tclin" "Homo sapiens" +"zotepine" 2875 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 8.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=103" "ANTAGONIST" "Rattus norvegicus" +"zotepine" 2875 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 8.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=103" "ANTAGONIST" "Rattus norvegicus" +"zuclopenthixol" 2877 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"zuclopenthixol" 2877 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"zuclopenthixol" 2877 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" "WOMBAT-PK" 1 "DRUG LABEL" "http://www.medicines.org.uk/emc/medicine/1073" "ANTAGONIST" "Tclin" "Homo sapiens" +"zuclopenthixol" 2877 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" "WOMBAT-PK" 1 "DRUG LABEL" "http://www.medicines.org.uk/emc/medicine/1073" "ANTAGONIST" "Tclin" "Homo sapiens" +"zuclopenthixol" 2877 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.77 "Ki" "Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells after 1.5 hrs by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53904" "Tchem" "Homo sapiens" +"ziconotide" 2878 "Voltage-dependent N-type calcium channel subunit alpha-1B" "Unclassified" "Q02294" "Cacna1b" "CAC1B_RAT" 10.3 "IC50" "IUPHAR" "=" "BLOCKER" "Rattus norvegicus" +"ziconotide" 2878 "Voltage-dependent N-type calcium channel subunit alpha-1B" "Ion channel" "Q00975" "CACNA1B" "CAC1B_HUMAN" "UNKNOWN" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1795072" "BLOCKER" "Tclin" "Homo sapiens" +"ziconotide" 2878 "Voltage-dependent P/Q-type calcium channel subunit alpha-1A" "Unclassified" "P54282" "Cacna1a" "CAC1A_RAT" 6.3 "IC50" "IUPHAR" "=" "BLOCKER" "Rattus norvegicus" +"zotarolimus" 2949 "Peptidyl-prolyl cis-trans isomerase FKBP1A" "Enzyme" "P62942" "FKBP1A" "FKB1A_HUMAN" 8.55 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7974" "INHIBITOR" "Tclin" "Homo sapiens" +"eledoisin" 2955 "Substance-P receptor" "GPCR" "P25103" "TACR1" "NK1R_HUMAN" 8.6 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2086" "AGONIST" "Tclin" "Homo sapiens" +"eledoisin" 2955 "Neuromedin-K receptor" "GPCR" "P29371" "TACR3" "NK3R_HUMAN" 9.66 "EC50" "Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL373569" "Tchem" "Homo sapiens" +"gonadorelin" 2958 "Gonadotropin-releasing hormone receptor" "GPCR" "P30968" "GNRHR" "GNRHR_HUMAN" 8 "IC50" "The Compound was tested for the concentration to inhibit 50% of [125 I ]leuprorelin binding to the cloned human Leutinizing releasing hormone receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1007" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1007" "AGONIST" "Tclin" "Homo sapiens" +"gonadorelin" 2958 "Gonadotropin-releasing hormone receptor" "GPCR" "P30969" "Gnrhr" "GNRHR_RAT" 8.7 "IC50" "Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1007" "Rattus norvegicus" +"gonadorelin" 2958 "Lutropin-choriogonadotropic hormone receptor" "Unclassified" "P16235" "Lhcgr" "LSHR_RAT" 8.9 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1007" "Rattus norvegicus" +"lypressin" 2959 "Vasopressin receptor" "GPCR" "P30518|P37288|P47901" "AVPR1A|AVPR1B|AVPR2" "V1AR_HUMAN|V1BR_HUMAN|V2R_HUMAN" "Mechanism of Action; CHEMBL2363078; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200690" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200690" "AGONIST" "Tclin|Tclin|Tclin" "Homo sapiens" +"mifamurtide" 2960 "Nucleotide-binding oligomerization domain-containing protein 2" "Cytosolic other" "Q9HC29" "NOD2" "NOD2_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/000802/WC500026565.pdf" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/000802/WC500026565.pdf" "ACTIVATOR" "Tclin" "Homo sapiens" +"suramin" 2966 "P2Y purinoceptor 11" "GPCR" "Q96G91" "P2RY11" "P2Y11_HUMAN" 6 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1728" "ANTAGONIST" "Tbio" "Homo sapiens" +"suramin" 2966 "P2Y purinoceptor 13" "GPCR" "Q9BPV8" "P2RY13" "P2Y13_HUMAN" 5.6 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1728" "ANTAGONIST" "Tchem" "Homo sapiens" +"suramin" 2966 "P2Y purinoceptor 1" "GPCR" "P47900" "P2RY1" "P2RY1_HUMAN" 5.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1728" "ANTAGONIST" "Tchem" "Homo sapiens" +"suramin" 2966 "P2Y purinoceptor 2" "GPCR" "P41231" "P2RY2" "P2RY2_HUMAN" 4.3 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1728" "ANTAGONIST" "Tclin" "Homo sapiens" +"suramin" 2966 "P2X purinoceptor 4" "Ion channel" "Q99571" "P2RX4" "P2RX4_HUMAN" 6.749336081 "Ki" "PDSP" "Tchem" "Homo sapiens" +"suramin" 2966 "P2X purinoceptor 3" "Ion channel" "P56373" "P2RX3" "P2RX3_HUMAN" 5.962573502 "Ki" "PDSP" "Tchem" "Homo sapiens" +"suramin" 2966 "Nucleoside triphosphate diphosphohydrolase 3" "Unclassified" "Q80Z26" "Entpd3" "Q80Z26_RAT" 4.9 "Ki" "Inhibition of rat recombinant NTPDase3 expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL265502" "Rattus norvegicus" +"suramin" 2966 "ATP-dependent 6-phosphofructokinase" "Kinase" "O15648" "pfk" "PFKA_TRYBB" 5.52 "IC50" "Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL265502" "Trypanosoma brucei brucei" +"suramin" 2966 "Protein kinase C (PKC)" "Kinase" "O94806|P05129|P05771|P17252|P24723|P41743|Q02156|Q04759|Q05513|Q05655|Q15139" "PRKCA|PRKCB|PRKCD|PRKCE|PRKCG|PRKCH|PRKCI|PRKCQ|PRKCZ|PRKD1|PRKD3" "KPCA_HUMAN|KPCB_HUMAN|KPCD1_HUMAN|KPCD3_HUMAN|KPCD_HUMAN|KPCE_HUMAN|KPCG_HUMAN|KPCI_HUMAN|KPCL_HUMAN|KPCT_HUMAN|KPCZ_HUMAN" 4.54 "IC50" "Inhibition of Protein kinase C (PKC)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL265502" "Tbio|Tchem|Tchem|Tchem|Tchem|Tchem|Tchem|Tchem|Tchem|Tclin" "Homo sapiens" +"suramin" 2966 "RmtA" "Enzyme" "Q5VLE3" "rmtA" "Q5VLE3_EMEND" 5.23 "IC50" "Inhibition of Aspergillus nidulans recombinant GST-RmtA expressed in BL21 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL265502" "Emericella nidulans" +"suramin" 2966 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" 5.03 "IC50" "Inhibition of purified HIV-1 reverse transcriptase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL265502" "Human immunodeficiency virus 1" +"suramin" 2966 "DNA-dependent protein kinase catalytic subunit" "Kinase" "P78527" "PRKDC" "PRKDC_HUMAN" 5.77 "IC50" "Inhibitory activity against DNA-DNA dependent protein kinase (DNA-PK)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL265502" "Tchem" "Homo sapiens" +"suramin" 2966 "Ectonucleoside triphosphate diphosphohydrolase 2" "Unclassified" "O35795" "Entpd2" "ENTP2_RAT" 4.18 "Ki" "Inhibition of rat recombinant NTPDase2 expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL265502" "Rattus norvegicus" +"suramin" 2966 "NAD-dependent protein deacylase sirtuin-5, mitochondrial" "Enzyme" "Q9NXA8" "SIRT5" "SIR5_HUMAN" 4.85 "IC50" "Inhibition of human Sirt5 deacetylation activity using FKRGVL-acetylLys-EYGVKV as substrate after 60 mins by glutamate dehydrogenase-coupled assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL265502" "Tbio" "Homo sapiens" +"suramin" 2966 "Protein arginine N-methyltransferase 1" "Enzyme" "Q99873" "PRMT1" "ANM1_HUMAN" 5.27 "IC50" "Inhibition of His6x-tagged PRMT1-mediated protein arginine methylation expressed in Escherichia coli BL21 (DE3) using H4(1-20) and [14C]-SAM by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL265502" "Tchem" "Homo sapiens" +"suramin" 2966 "NAD-dependent protein deacetylase sirtuin-2" "Enzyme" "Q8IXJ6" "SIRT2" "SIR2_HUMAN" 5.96 "IC50" "Inhibition of recombinant SIRT2 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL265502" "Tchem" "Homo sapiens" +"suramin" 2966 "NAD-dependent protein deacetylase sirtuin-1" "Enzyme" "Q96EB6" "SIRT1" "SIR1_HUMAN" 6.52 "IC50" "Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL265502" "Tchem" "Homo sapiens" +"suramin" 2966 "P2X purinoceptor 1" "Unclassified" "P47824" "P2rx1" "P2RX1_RAT" 6 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1728" "ANTAGONIST" "Rattus norvegicus" +"suramin" 2966 "P2X purinoceptor 2" "Unclassified" "P49653" "P2rx2" "P2RX2_RAT" 4.98 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1728" "ANTAGONIST" "Rattus norvegicus" +"suramin" 2966 "P2X purinoceptor 3" "Unclassified" "P49654" "P2rx3" "P2RX3_RAT" 5.52 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1728" "ANTAGONIST" "Rattus norvegicus" +"suramin" 2966 "P2X purinoceptor 5" "Unclassified" "P51578" "P2rx5" "P2RX5_RAT" 5.4 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1728" "ANTAGONIST" "Rattus norvegicus" +"suramin" 2966 "P2Y purinoceptor 6" "GPCR" "Q15077" "P2RY6" "P2RY6_HUMAN" 4 "Kb" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1728" "ANTAGONIST" "Tchem" "Homo sapiens" +"triptorelin" 2968 "Gonadotropin-releasing hormone receptor" "GPCR" "P30968" "GNRHR" "GNRHR_HUMAN" 9.025 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200554" "AGONIST" "Tclin" "Homo sapiens" +"triptorelin" 2968 "Gonadotropin-releasing hormone receptor" "GPCR" "P30969" "Gnrhr" "GNRHR_RAT" 8.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1177" "AGONIST" "Rattus norvegicus" +"doxacurium" 2974 "Acetylcholine receptor" "Ion channel" "P02708|P11230|Q07001" "CHRNA1|CHRNB1|CHRND" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1237099" "ANTAGONIST" "Tclin|Tclin|Tclin" "Homo sapiens" +"doxacurium" 2974 "Neuronal acetylcholine receptor subunit alpha-2" "Ion channel" "Q15822" "CHRNA2" "ACHA2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"doxacurium" 2974 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"histrelin" 2975 "Gonadotropin-releasing hormone receptor" "GPCR" "P30968" "GNRHR" "GNRHR_HUMAN" "Mechanism of Action; CHEMBL1855; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200509" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200509" "AGONIST" "Tclin" "Homo sapiens" +"caspofungin" 2977 "Beta-1,3-glucan synthase catalytic subunit 1" "Enzyme" "O13428" "GSC1" "O13428_CANAX" 8.89 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL499808" "INHIBITOR" "Candida albicans" +"caspofungin" 2977 "1,3-beta-glucan synthase catalytic subunit FksP" "Enzyme" "Q4WLT4" "Q4WLT4_ASPFU" "Mechanism of Action; CHEMBL2364674; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL499808" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL499808" "INHIBITOR" "Neosartorya fumigata (strain ATCC MYA-4609 / Af293 / CBS 101355 / FGSC A1100)" +"caspofungin" 2977 "1,3-beta-D-glucan synthase catalytic subunit" "Unclassified" "O13383" "CaFKS1" "O13383_CANAX" 9.62 "IC50" "Inhibition of wild type Candida albicans MY1055 1,3-beta-D-glucan synthase using UDP[6,3H]-glucose as substrate after 60 mins by liquid scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL499808" "Candida albicans" +"calcitonin (salmon synthetic)" 2989 "Calcitonin receptor" "GPCR" "P30988" "CALCR" "CALCR_HUMAN" 11.08566 "EC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/14623894" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/017808s036lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"calcitonin (salmon synthetic)" 2989 "Amylin receptor AMY1" "GPCR" "O60894|P30988" "CALCR|RAMP1" "CALCR_HUMAN|RAMP1_HUMAN" 9.649752 "IC50" "IC50 values for peptides in competition for 125I-labeled salmon CT binding to COS-7 cells cotransfected with 100 ng of hCTR and 100 ng of RAMP." "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/10385705" "AGONIST" "Tclin|Tclin" "Homo sapiens" +"calcitonin (salmon synthetic)" 2989 "Amylin receptor AMY2" "GPCR" "O60895|P30988" "CALCR|RAMP2" "CALCR_HUMAN|RAMP2_HUMAN" 9.872895 "IC50" "IC50 values for peptides in competition for 125I-labeled salmon CT binding to COS-7 cells cotransfected with 100 ng of hCTR and 100 ng of RAMP." "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/10385705" "AGONIST" "Tchem|Tclin" "Homo sapiens" +"calcitonin (salmon synthetic)" 2989 "Amylin receptor AMY3" "GPCR" "O60896|P30988" "CALCR|RAMP3" "CALCR_HUMAN|RAMP3_HUMAN" 9.498941 "IC50" "IC50 values for peptides in competition for 125I-labeled salmon CT binding to COS-7 cells cotransfected with 100 ng of hCTR and 100 ng of RAMP." "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/10385705" "AGONIST" "Tclin|Tclin" "Homo sapiens" +"desirudin" 2990 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 12.7 "Ki" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6458" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021271s006lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"glucagon" 2994 "Glucagon-like peptide 1 receptor" "GPCR" "P43220" "GLP1R" "GLP1R_HUMAN" 7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1136" "AGONIST" "Tclin" "Homo sapiens" +"glucagon" 2994 "Glucagon receptor" "GPCR" "P47871" "GCGR" "GLR_HUMAN" 9 "EC50" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1136" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL266481" "AGONIST" "Tclin" "Homo sapiens" +"glucagon" 2994 "Glucagon receptor" "GPCR" "P30082" "Gcgr" "GLR_RAT" 8.82 "IC50" "Compound was tested for its ability to displace [125I]glucagon from the glucagon receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL266481" "Rattus norvegicus" +"glucagon" 2994 "Adenylate cyclase" "Enzyme" "D4A3N4|P21932|P26769|P26770|P40146|Q03343|Q04400|Q8CFM9" "Adcy1|Adcy2|Adcy3|Adcy4|Adcy5|Adcy6|Adcy8" "ADCY2_RAT|ADCY3_RAT|ADCY4_RAT|ADCY5_RAT|ADCY6_RAT|ADCY8_RAT|D4A3N4_RAT|Q8CFM9_RAT" 8.23 "EC50" "Adenylate cyclase activity measured as 50% inhibitory concentration" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL266481" "Rattus norvegicus" +"lepirudin" 2995 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 13 "Ki" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6469" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2006/020807s011lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"somatostatin" 2997 "Somatostatin receptor type 2" "GPCR" "P30874" "SSTR2" "SSR2_HUMAN" 10.46 "Ki" "Inhibition of [125 I -Tyr]SRIF-14 binding to membranes isolated from CHO-K1 cells expressing cloned human SRIF receptor (sst-2) subtype" "CHEMBL" "=" 1 "IUPHAR" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1823872" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2019" "AGONIST" "Tclin" "Homo sapiens" +"somatostatin" 2997 "Somatostatin receptor type 5" "GPCR" "P30938" "Sstr5" "SSR5_RAT" 9.07 "IC50" "Tested for inhibition of radioligand binding to cloned somatostatin receptor rSSTR5" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1823872" "Rattus norvegicus" +"somatostatin" 2997 "Somatostatin receptor type 1" "GPCR" "P30872" "SSTR1" "SSR1_HUMAN" 9.54 "Ki" "Inhibition of [125 I -Tyr]SRIF-14 binding to membranes isolated from CHO-K1 cells expressing cloned human SRIF receptor (sst-1) subtype" "CHEMBL" "=" 1 "IUPHAR" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1823872" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2019" "AGONIST" "Tclin" "Homo sapiens" +"somatostatin" 2997 "Somatostatin receptor type 5" "GPCR" "P35346" "SSTR5" "SSR5_HUMAN" 9.85 "Ki" "Inhibition of human sst5 receptor expressed in CHO cells" "CHEMBL" "=" 1 "IUPHAR" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1823872" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2019" "AGONIST" "Tclin" "Homo sapiens" +"somatostatin" 2997 "Somatostatin receptor type 3" "GPCR" "P30935" "Sstr3" "SSR3_MOUSE" 10.1 "IC50" "Tested for inhibition of radioligand binding to cloned somatostatin receptor mSSTR3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1823872" "Mus musculus" +"somatostatin" 2997 "Somatostatin receptor type 3" "GPCR" "P32745" "SSTR3" "SSR3_HUMAN" 10 "Ki" "Inhibition of [125 I -Tyr]SRIF-14 binding to membranes isolated from CHO-K1 cells expressing cloned human SRIF receptor (sst-3) subtype" "CHEMBL" "=" 1 "IUPHAR" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1823872" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2019" "AGONIST" "Tclin" "Homo sapiens" +"somatostatin" 2997 "Somatostatin receptor" "GPCR" "P28646|P30680|P30936|P30937|P30938" "Sstr1|Sstr2|Sstr3|Sstr4|Sstr5" "SSR1_RAT|SSR2_RAT|SSR3_RAT|SSR4_RAT|SSR5_RAT" 9.7 "IC50" "Compound was tested for its potency to displace 3-[125I]- - Tyr11-SRIF-14 from somatostatin receptor on membranes of rat cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1823872" "Rattus norvegicus" +"somatostatin" 2997 "Somatostatin receptor" "GPCR" "O08858|P30873|P30875|P30935|P49660" "Sstr1|Sstr2|Sstr3|Sstr4|Sstr5" "SSR1_MOUSE|SSR2_MOUSE|SSR3_MOUSE|SSR4_MOUSE|SSR5_MOUSE" 5.89 "IC50" "Compound was tested for its binding affinity against somatostatin receptors on AtT-20 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1823872" "Mus musculus" +"somatostatin" 2997 "Somatostatin receptor type 2" "GPCR" "P30875" "Sstr2" "SSR2_MOUSE" 9.55 "IC50" "Tested for inhibition of radioligand binding to cloned somatostatin receptor mSSTR2b" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1823872" "Mus musculus" +"somatostatin" 2997 "Delta-type opioid receptor" "GPCR" "P33533" "Oprd1" "OPRD_RAT" 5.7 "IC50" "Inhibition of [3H]-DPDPE binding to Opioid receptor delta 1 of rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1823872" "Rattus norvegicus" +"somatostatin" 2997 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 8.22 "IC50" "Inhibition of binding of [3H]-naloxone to Opioid receptor mu 1 of rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1823872" "Rattus norvegicus" +"somatostatin" 2997 "Somatostatin receptor type 4" "GPCR" "P31391" "SSTR4" "SSR4_HUMAN" 9.23 "Ki" "Inhibition of human sst4 receptor expressed in CHO cells" "CHEMBL" "=" 1 "IUPHAR" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1823872" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2019" "AGONIST" "Tclin" "Homo sapiens" +"pyrantel" 2999 "Acetylcholinesterase" "Enzyme" "O96529" "ACHE" "O96529_MELIC" "WOMBAT-PK" "Meloidogyne incognita" +"atosiban" 3008 "Oxytocin receptor" "GPCR" "P30559" "OXTR" "OXYR_HUMAN" 7.96 "Ki" "Binding affinity to human oxytocin receptor" "CHEMBL" "=" 1 "DRUG LABEL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL382301" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/000253/WC500040495.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"atosiban" 3008 "Vasopressin V2 receptor" "GPCR" "P30518" "AVPR2" "V2R_HUMAN" 6.48 "Ki" "Binding affinity to human vasopressin V2 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL382301" "Tclin" "Homo sapiens" +"atosiban" 3008 "Vasopressin V1a receptor" "GPCR" "P37288" "AVPR1A" "V1AR_HUMAN" 9.82 "Ki" "Binding affinity to human vasopressin V1a receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL382301" "Tclin" "Homo sapiens" +"atosiban" 3008 "Vasopressin V1b receptor" "GPCR" "P47901" "AVPR1B" "V1BR_HUMAN" 7.36 "Ki" "Binding affinity to human vasopressin V1b receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL382301" "Tclin" "Homo sapiens" +"atosiban" 3008 "Oxytocin receptor" "GPCR" "P70536" "Oxtr" "OXYR_RAT" 7.4 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL382301" "Rattus norvegicus" +"oxybuprocaine" 3016 "Sodium channel protein type 10 subunit alpha" "Ion channel" "Q9Y5Y9" "SCN10A" "SCNAA_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB00892" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200" "BLOCKER" "Tclin" "Homo sapiens" +"oxybuprocaine" 3016 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.54 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200" "BLOCKER" "Tclin|Tclin|Tclin" "Homo sapiens" +"benzethonium" 3018 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.934420285 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"benzethonium" 3018 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 7.051098239 "Ki" "DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"benzethonium" 3018 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.887730232 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"benzethonium" 3018 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.045757491 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"benzethonium" 3018 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.431798276 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"benzethonium" 3018 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.269217724 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"benzethonium" 3018 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.53165267 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"benzethonium" 3018 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.004364805 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"benzethonium" 3018 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.690369833 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"benzethonium" 3018 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.091514981 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"benzethonium" 3018 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.443697499 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"benzethonium" 3018 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.017728767 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"benzethonium" 3018 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.54515514 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"benzethonium" 3018 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.964570262 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"benzethonium" 3018 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 5.648590248 "IC50" "DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"benzethonium" 3018 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 6.11463878 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"benzethonium" 3018 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.681102285 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"benzethonium" 3018 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 6.192464972 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"benzethonium" 3018 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 7.15490196 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"benzethonium" 3018 "KiSS-1 receptor" "GPCR" "Q969F8" "KISS1R" "KISSR_HUMAN" 5.44 "Ki" "Displacement of [125]metastin from metastin receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221753" "Tchem" "Homo sapiens" +"bergapten" 3021 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 4.86 "IC50" "Inhibition of MAO-A (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24171" "Tclin" "Homo sapiens" +"bergapten" 3021 "Dual specificity tyrosine-phosphorylation-regulated kinase 1A" "Unclassified" "Q63470" "Dyrk1a" "DYR1A_RAT" 5.83 "AC50" "active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24171" "Rattus norvegicus" +"bietamiverine" 3025 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.99 "Ki" "Displacement of [3H] N-methylscopolamine from human muscarinic M2 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2106541" "Tclin" "Homo sapiens" +"bietamiverine" 3025 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.57 "Ki" "Displacement of [3H] N-methylscopolamine from human muscarinic M1 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2106541" "Tclin" "Homo sapiens" +"bietamiverine" 3025 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.73 "Ki" "Displacement of [3H] N-methylscopolamine from human muscarinic M3 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2106541" "Tclin" "Homo sapiens" +"bithionol" 3032 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.650528201 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"bithionol" 3032 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 6.1837587 "Ki" "DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"bithionol" 3032 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.843450849 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"bithionol" 3032 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.911863911 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"bithionol" 3032 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.501413791 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"bithionol" 3032 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.364516253 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"bithionol" 3032 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.33733659 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"bithionol" 3032 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.251811973 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"bithionol" 3032 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.84375381 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"bithionol" 3032 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.195179321 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"bithionol" 3032 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.761201437 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"bithionol" 3032 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 6.329754147 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"bithionol" 3032 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 6.211831629 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"bithionol" 3032 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 5.646853454 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"bithionol" 3032 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.668167956 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"bithionol" 3032 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.735182177 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"bithionol" 3032 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 6.49757288 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"bithionol" 3032 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.808828544 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"bithionol" 3032 "Sodium/potassium-transporting ATPase subunit alpha-2" "Ion channel" "D2WKD8" "ATP1A2" "AT1A2_PIG" 5.299123292 "IC50" "DRUGMATRIX: ATPase, Na+/K+ enzyme inhibition (substrate: ATP)" "DRUG MATRIX" "=" "Sus scrofa" +"bithionol" 3032 "Mitogen-activated protein kinase 1" "Kinase" "P28482" "MAPK1" "MK01_HUMAN" 6.41453927 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"bithionol" 3032 "Solute carrier family 22 member 3" "Transporter" "O75751" "SLC22A3" "S22A3_HUMAN" 5.26 "IC50" "Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL290106" "Tchem" "Homo sapiens" +"bithionol" 3032 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 5.41 "IC50" "Inhibition of human OCT1-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL290106" "Tchem" "Homo sapiens" +"bithionol" 3032 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.72 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL290106" "Tchem" "Homo sapiens" +"bithionol" 3032 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 5.18 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL290106" "Tchem" "Homo sapiens" +"bithionol" 3032 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.28 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL290106" "Tchem" "Homo sapiens" +"bithionol" 3032 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 5.40000009536743 "IC50" "PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays: 629 (Primary screen preceding this dose response confirmation assay.)]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL290106" "Tclin" "Homo sapiens" +"bithionol" 3032 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 5.09000015258789 "IC50" "PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays: 633 (Primary screen preceding this dose response confirmation assay.)]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL290106" "Tclin" "Homo sapiens" +"bithionol" 3032 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.26 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL290106" "Rattus norvegicus" +"bithionol" 3032 "Envelope glycoprotein gp160" "Unclassified" "Q6QLK5" "env" "Q6QLK5_9HIV1" 5.21 "IC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL290106" "Human immunodeficiency virus 1" +"bithionol" 3032 "M1-family alanyl aminopeptidase" "Unclassified" "Q8IEK1" "Q8IEK1_PLAF7" 4.37 "IC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL290106" "Plasmodium falciparum (isolate 3D7)" +"bithionol" 3032 "Potassium channel subfamily T member 1" "Unclassified" "Q9Z258" "Kcnt1" "KCNT1_RAT" 6 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2338" "ACTIVATOR" "Rattus norvegicus" +"broxuridine" 3042 "Thymidine kinase, cytosolic" "Kinase" "P04183" "TK1" "KITH_HUMAN" 5.3 "Ki" "Binding affinity against HSV-1(KOS) thymidine kinase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL222280" "Tchem" "Homo sapiens" +"broxuridine" 3042 "Thymidylate kinase" "Kinase" "P9WKE1" "tmk" "KTHY_MYCTU" 5.3 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant TMPK" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL222280" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"bufexamac" 3047 "Arachidonate 5-lipoxygenase" "Enzyme" "P12527" "Alox5" "LOX5_RAT" 6.89 "IC50" "Logarithmic value of inhibitory concentration against 5-lipoxygenase in rat basophilic leukemia cells (RBL-1)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL94394" "Rattus norvegicus" +"bufexamac" 3047 "Histone deacetylase 10" "Enzyme" "Q969S8" "HDAC10" "HDA10_HUMAN" 4.91 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7498" "INHIBITOR" "Tclin" "Homo sapiens" +"bufexamac" 3047 "Histone deacetylase 6" "Enzyme" "Q9UBN7" "HDAC6" "HDAC6_HUMAN" 4.97 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7498" "INHIBITOR" "Tclin" "Homo sapiens" +"bufexamac" 3047 "M1-family alanyl aminopeptidase" "Unclassified" "Q8IEK1" "Q8IEK1_PLAF7" 4.09 "IC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL94394" "Plasmodium falciparum (isolate 3D7)" +"butacaine" 3050 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.57 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL129529" "Tclin|Tclin|Tclin" "Homo sapiens" +"butethamine" 3053 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.26 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL124211" "Tclin|Tclin|Tclin" "Homo sapiens" +"capsaicin" 3064 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 5.522878745 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"capsaicin" 3064 "Tyrosine--tRNA ligase, cytoplasmic" "Enzyme" "P54577" "YARS" "SYYC_HUMAN" 4.38 "Ki" "Compound was tested for the inhibition of aminoacyl tRNA Synthetase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL294199" "Tchem" "Homo sapiens" +"capsaicin" 3064 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.42 "IC50" "Inhibition of COX1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL294199" "Tclin" "Homo sapiens" +"capsaicin" 3064 "Transient receptor potential cation channel subfamily V member 1" "Ion channel" "O35433" "Trpv1" "TRPV1_RAT" 5.77 "Ki" "In vitro binding to Rat Vanilloid receptor 1 (VR1) expressing CHO cells compared to capsaicin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL294199" "Rattus norvegicus" +"capsaicin" 3064 "Transient receptor potential cation channel subfamily V member 1" "Ion channel" "Q8NER1" "TRPV1" "TRPV1_HUMAN" 8.22 "Ki" "Binding affinity to human recombinant TRPV1" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL294199" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL294199" "OPENER" "Tclin" "Homo sapiens" +"capsaicin" 3064 "NADH-ubiquinone oxidoreductase chain 1 " "Unclassified" "P03887" "MT-ND1" "NU1M_BOVIN" 4.28 "IC50" "Inhibition of Bos taurus (bovine) heart submitochondrial particle NDH1 assessed as NADH-DB reductase activity" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL294199" "Bos taurus" +"capsaicin" 3064 "Transient receptor potential cation channel subfamily M member 8" "Unclassified" "Q8R4D5" "Trpm8" "TRPM8_MOUSE" 4.55 "IC50" "Antagonist at TRPM8 isolated from mouse dorsal root ganglion cells expressed in HEK T-REx cells assessed as inhibition of menthol-induced intracellular Ca2+ influx by fluorescence-based assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL294199" "Mus musculus" +"capsaicin" 3064 "Potassium voltage-gated channel subfamily A member 1" "Unclassified" "P16388" "Kcna1" "KCNA1_MOUSE" 4.5 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2486" "BLOCKER" "Mus musculus" +"capsaicin" 3064 "Potassium voltage-gated channel subfamily A member 2" "Unclassified" "P63142" "Kcna2" "KCNA2_RAT" 4.4 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2486" "BLOCKER" "Rattus norvegicus" +"capsaicin" 3064 "Potassium voltage-gated channel subfamily A member 7" "Unclassified" "Q17ST2" "Kcna7" "KCNA7_MOUSE" 4.6 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2486" "BLOCKER" "Mus musculus" +"capsaicin" 3064 "Transient receptor potential cation channel subfamily V member 1" "Unclassified" "Q704Y3" "Trpv1" "TRPV1_MOUSE" 8 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2486" "ACTIVATOR" "Mus musculus" +"carbaryl" 3066 "Acetylcholinesterase" "Enzyme" "K4JQ36" "ace2" "K4JQ36_9HEMI" 7.32 "IC50" "Inhibition of acetylcholinesterase in Laodelphax striatella Ibaraki (small brown planthopper) homogenate preincubated for 10 min before substrate addition measured after 10 min by Ellman method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46917" "Laodelphax striatella" +"carbaryl" 3066 "Acetylcholinesterase" "Enzyme" "P23795" "ACHE" "ACES_BOVIN" 5.21 "IC50" "Inhibition of Bos taurus (bovine) erythrocytes acetylcholinesterase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46917" "Bos taurus" +"carbaryl" 3066 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 5.51 "IC50" "Inhibitory activity towards eel acetylcholinesterase (AChE)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46917" "Electrophorus electricus" +"carbaryl" 3066 "Acetylcholinesterase" "Enzyme" "Q7YWJ9" "Ache" "Q7YWJ9_MUSDO" 6.7 "IC50" "Inhibition of Musca domestica (house fly) NAIDM head acetylcholinesterase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46917" "Musca domestica" +"carbaryl" 3066 "Ace-orthologous acetylcholinesterase; Acetylcholinesterase" "Unclassified" "Q9NJH6" "AO-AChE" "Q9NJH6_NEPCI" 7.54 "IC50" "Inhibition of drug-susceptible Nephotettix cincticeps Ageo (green rice leafhopper) acetylcholinesterase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46917" "Nephotettix cincticeps" +"carbon tetrachloride" 3067 "Cytochrome P450 2E1" "Enzyme" "P05181" "CYP2E1" "CP2E1_HUMAN" 4.958607315 "IC50" "DRUGMATRIX: CYP450, 2E1 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tbio" "Homo sapiens" +"carglumic acid" 3068 "Carbamoyl-phosphate synthase [ammonia], mitochondrial" "Enzyme" "P31327" "CPS1" "CPSM_HUMAN" "Mechanism of Action; CHEMBL2362990; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201780" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201780" "POSITIVE ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"articaine" 3070 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.29 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1093" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1093" "BLOCKER" "Tclin|Tclin|Tclin" "Homo sapiens" +"cetrimonium" 3082 "Dynamin-1" "Structural" "Q05193" "DNM1" "DYN1_HUMAN" 5.36 "IC50" "Concentration required against dynamin-1 GTPase activity of sheep brain." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL307346" "Tbio" "Homo sapiens" +"cetylpyridinium" 3083 "High affinity choline transporter 1" "Unclassified" "Q8BGY9" "Slc5a7" "SC5A7_MOUSE" 4.49 "Ki" "Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL34833" "Mus musculus" +"cetylpyridinium" 3083 "Caspase-2" "Enzyme" "P42575" "CASP2" "CASP2_HUMAN" 4.68 "EC50" "Activation of procaspase 2 after 24 hrs" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL34833" "Tchem" "Homo sapiens" +"chloroxylenol" 3094 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.927750102 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"chloroxylenol" 3094 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 5.737786295 "IC50" "DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"chlorquinaldol" 3095 "Botulinum neurotoxin type A" "Enzyme" "P10845" "botA" "BXA1_CLOBO" 5 "IC50" "Inhibition of Clostridium botulinum BoNT/A LC expressed in Escherichia coli assessed as cleavage of SNAPtide preincubated for 5 mins followed by SNAPtide addition measured for 105 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL224325" "Clostridium botulinum" +"cholic acid" 3096 "G-protein coupled bile acid receptor 1" "GPCR" "Q8TDU6" "GPBAR1" "GPBAR_HUMAN" 5 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=609" "AGONIST" "Tchem" "Homo sapiens" +"choline" 3097 "Acetylcholine receptor subunit delta" "Ion channel" "P02718" "chrnd" "ACHD_TORCA" 4.38 "Ki" "Binding affinity towards rat forebrain nicotinic acetylcholine receptor using [3H]EB as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL920" "Torpedo californica" +"choline" 3097 "Neuronal acetylcholine receptor; alpha4/beta4" "Ion channel" "P09483|P12392" "Chrna4|Chrnb4" "ACHA4_RAT|ACHB4_RAT" 4.47 "Ki" "Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta4 expressed in HEK293 cells using [3H]EB as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL920" "Rattus norvegicus" +"choline" 3097 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P09483|P12390" "Chrna4|Chrnb2" "ACHA4_RAT|ACHB2_RAT" 4.43 "Ki" "Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK293 cells using [3H]EB as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL920" "Rattus norvegicus" +"choline" 3097 "Creatine transporter" "Unclassified" "P28570" "Slc6a8" "SC6A8_RAT" 4.38 "Ki" "Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL920" "Rattus norvegicus" +"choline" 3097 "Neuronal acetylcholine receptor; alpha3/beta2" "Ion channel" "P04757|P12390" "Chrna3|Chrnb2" "ACHA3_RAT|ACHB2_RAT" 4.43 "Ki" "Binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta2 expressed in HEK293 cells using [3H]EB as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL920" "Rattus norvegicus" +"choline" 3097 "Neuronal acetylcholine receptor; alpha3/beta4" "Ion channel" "P04757|P12392" "Chrna3|Chrnb4" "ACHA3_RAT|ACHB4_RAT" 4.32 "Ki" "Binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta4 expressed in HEK293 cells using [3H]EB as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL920" "Rattus norvegicus" +"choline" 3097 "Neuronal acetylcholine receptor; alpha2/beta2" "Ion channel" "P12389|P12390" "Chrna2|Chrnb2" "ACHA2_RAT|ACHB2_RAT" 4.74 "Ki" "Binding affinity towards rat nicotinic acetylcholine receptor alpha2-beta2 expressed in HEK293 cells using [3H]EB as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL920" "Rattus norvegicus" +"choline" 3097 "High affinity choline transporter 1" "Unclassified" "Q8BGY9" "Slc5a7" "SC5A7_MOUSE" 5.8 "IC50" "In vitro ability to inhibit the transport of [3H]choline in to high affinity choline transport system HAChT" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL920" "Mus musculus" +"cinchophen" 3101 "cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A" "Enzyme" "Q9Y233" "PDE10A" "PDE10_HUMAN" 3.9 "Kd" "Binding affinity to human PDE10A catalytic domain expressed in Escherichia coli BL21-Gold(DE3) after 15 mins by SPR inhibition in solution assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL348000" "Tclin" "Homo sapiens" +"clorindione" 3111 "Arachidonate 5-lipoxygenase" "Enzyme" "P12527" "Alox5" "LOX5_RAT" 5.3 "IC50" "In vitro inhibition of 5-lipoxygenase activity in RBL-1 cells." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL278519" "Rattus norvegicus" +"cloxiquine" 3114 "Methionine aminopeptidase 2" "Enzyme" "P50579" "METAP2" "MAP2_HUMAN" 5.9 "IC50" "Inhibition of human methionine aminopeptidase 2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL225164" "Tchem" "Homo sapiens" +"cloxiquine" 3114 "Methionine aminopeptidase 1" "Enzyme" "P53582" "METAP1" "MAP11_HUMAN" 4.89 "IC50" "Inhibition of human methionine aminopeptidase 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL225164" "Tchem" "Homo sapiens" +"cloxiquine" 3114 "Catechol O-methyltransferase" "Enzyme" "P22734" "Comt" "COMT_RAT" 4.63 "IC50" "Inhibition of Sprague-Dawley rat liver COMT after 10 mins using 0.05 uCi [14CH3]-SAM as substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL225164" "Rattus norvegicus" +"cyclomethycaine" 3123 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.7 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL127487" "Tclin|Tclin|Tclin" "Homo sapiens" +"cynarine" 3124 "Integrase" "Enzyme" "Q7ZJM1" "pol" "Q7ZJM1_9HIV1" 5.8 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL487258" "Human immunodeficiency virus 1" +"demoxytocin" 3126 "Oxytocin receptor" "GPCR" "P70536" "Oxtr" "OXYR_RAT" 9.05 "Ki" "Binding affinity against Oxytocin receptor was determined in rat uterine membrane using radioligand [3H]oxytocin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL435716" "Rattus norvegicus" +"deferasirox" 3128 "iron" "Inorganic material" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/021882s021lbl.pdf" "CHELATING AGENT" +"desomorphine" 3134 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprk1|Oprm1|Sigmar1" "OPRD_RAT|OPRK_RAT|OPRM_RAT|SGMR1_RAT" 9.22 "EC50" "Binding affinity to opioid receptor in rat brain homogenates" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2106274" "Rattus norvegicus" +"desonide" 3135 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action; CHEMBL2034; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201109" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201109" "AGONIST" "Tclin" "Homo sapiens" +"dibrompropamidine" 3137 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 6.02 "Ki" "compound was tested for inhibitory activity against Thrombin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL30044" "Tclin" "Homo sapiens" +"dibrompropamidine" 3137 "Urokinase-type plasminogen activator" "Enzyme" "P00749" "PLAU" "UROK_HUMAN" 5.8 "Ki" "compound was tested for inhibitory activity against Urokinase-type plasminogen activator (microPa)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL30044" "Tchem" "Homo sapiens" +"dibrompropamidine" 3137 "Acrosin" "Unclassified" "P08001" "ACR" "ACRO_PIG" 5.77 "Ki" "Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL30044" "Sus scrofa" +"dibrompropamidine" 3137 "Suppressor of tumorigenicity 14 protein" "Enzyme" "Q9Y5Y6" "ST14" "ST14_HUMAN" 6.27 "Ki" "compound was tested for inhibitory activity against Matriptase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL30044" "Tchem" "Homo sapiens" +"difluprednate" 3142 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action; CHEMBL2034; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201749" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201749" "AGONIST" "Tclin" "Homo sapiens" +"quinisocaine" 3153 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.47 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL127643" "Tclin|Tclin|Tclin" "Homo sapiens" +"dioxadrol" 3158 "Sigma non-opioid intracellular receptor 1" "Membrane other" "Q60492" "SIGMAR1" "SGMR1_CAVPO" 7.46 "Ki" "Displacement of [3H](+)-pentazocine from sigma1 opioid receptor from guinea pig brain cortex after 150 mins by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL26479" "Cavia porcellus" +"domitroban" 3165 "Thromboxane A2 receptor" "GPCR" "P21731" "TBXA2R" "TA2R_HUMAN" 9.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1979" "ANTAGONIST" "Tclin" "Homo sapiens" +"domitroban" 3165 "Thromboxane A2 receptor" "Unclassified" "P30987" "Tbxa2r" "TA2R_MOUSE" 9.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1979" "ANTAGONIST" "Mus musculus" +"eburnamonine" 3170 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.2 "Kd" "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"eburnamonine" 3170 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.1 "Kd" "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"eburnamonine" 3170 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 4.6 "Kd" "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"eburnamonine" 3170 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 4.2 "Kd" "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"edoxudine" 3173 "Thymidine kinase" "Kinase" "A3RLP8" "UL23" "A3RLP8_CHV1" 6.82 "IC50" "Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL318153" "Cercopithecine herpesvirus 1" +"eicosapentaenoic acid" 3174 "Oxoeicosanoid receptor 1" "GPCR" "Q8TDS5" "OXER1" "OXER1_HUMAN" 5.7 "IC50" "Antagonist activity at human OXE receptor fused with G-alphai assessed as inhibition of 5-oxo-ETE-induced GTPgammaS binding after 60 mins by liquid scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL460026" "Tchem" "Homo sapiens" +"eicosapentaenoic acid" 3174 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 4.27 "IC50" "Inhibition of aromatase in human placental microsomes by radiometric method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL460026" "Tclin" "Homo sapiens" +"eicosapentaenoic acid" 3174 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 5.15 "IC50" "Inhibition of sheep COX2-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL460026" "Ovis aries" +"eicosapentaenoic acid" 3174 "Peroxisome proliferator-activated receptor delta" "Nuclear hormone receptor" "Q03181" "PPARD" "PPARD_HUMAN" 5.4 "IC50" "Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scintillation proximity assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL460026" "Tchem" "Homo sapiens" +"eicosapentaenoic acid" 3174 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 5.7 "Kd" "Binding affinity to PPARgamma" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL460026" "Tclin" "Homo sapiens" +"eicosapentaenoic acid" 3174 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 5.96 "IC50" "Inhibition of PPAR-alpha (unknown origin) by SPA assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL460026" "Tclin" "Homo sapiens" +"eicosapentaenoic acid" 3174 "Tissue factor" "Membrane receptor" "P13726" "F3" "TF_HUMAN" 4.11 "IC50" "Inhibition of amidolytic activity of human tissue factor/human factor 7a" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL460026" "Tchem" "Homo sapiens" +"eicosapentaenoic acid" 3174 "Prostaglandin G/H synthase 1" "Enzyme" "O62664" "PTGS1" "PGH1_BOVIN" 4.89 "IC50" "Inhibition of bovine COX1-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL460026" "Bos taurus" +"enilconazole" 3177 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P14902" "IDO1" "I23O1_HUMAN" 4.6399998664856 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL356918" "Tchem" "Homo sapiens" +"enoxolone" 3178 "Tyrosine-protein phosphatase non-receptor type 1" "Enzyme" "P18031" "PTPN1" "PTN1_HUMAN" 4.34 "IC50" "Inhibition of recombinant PTP1B" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL230006" "Tchem" "Homo sapiens" +"enoxolone" 3178 "Corticosteroid 11-beta-dehydrogenase isozyme 1" "Enzyme" "P28845" "HSD11B1" "DHI1_HUMAN" 8.07 "IC50" "Inhibition of human 11beta HSD1 expressed in HEK293 cells assessed as assessed as inhibition of [1,2-(n)3H]cortisone to [3H]-cortisol after 60 mins by scintillation proximity assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL230006" "Tclin" "Homo sapiens" +"enoxolone" 3178 "Corticosteroid 11-beta-dehydrogenase isozyme 2" "Enzyme" "P50233" "Hsd11b2" "DHI2_RAT" 6.44 "IC50" "Inhibition of rat renal 11beta-HSD2 in rat liver assessed as inhibition of cortisone production" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL230006" "Rattus norvegicus" +"enoxolone" 3178 "Corticosteroid 11-beta-dehydrogenase isozyme 1" "Enzyme" "P16232" "Hsd11b1" "DHI1_RAT" 7.05 "IC50" "Inhibition of 11beta-HSD1 in rat liver assessed as cortisone level" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL230006" "Rattus norvegicus" +"enoxolone" 3178 "Glycogen phosphorylase, muscle form" "Enzyme" "P00489" "PYGM" "PYGM_RABIT" 4.18 "IC50" "Inhibition of rabbit muscle glycogen phosphorylase A assessed as phosphate release from glucose-1-phosphate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL230006" "Oryctolagus cuniculus" +"enoxolone" 3178 "Aldo-keto reductase family 1 member B10" "Enzyme" "O60218" "AKR1B10" "AK1BA_HUMAN" 5.31 "IC50" "Inhibition of reductase activity of N-terminal 6His-tagged human AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as pyridine-3-aldehyde reduction" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL230006" "Tchem" "Homo sapiens" +"enoxolone" 3178 "Corticosteroid 11-beta-dehydrogenase isozyme 1" "Enzyme" "P50172" "Hsd11b1" "DHI1_MOUSE" 8.7 "IC50" "Inhibition of mouse 11beta-HSD1 expressed in HEK293 cell microsomes assessed as inhibition of [3H]cortisone conversion to [3H]cortisol by scintillation proximity assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL230006" "Mus musculus" +"enoxolone" 3178 "Corticosteroid 11-beta-dehydrogenase isozyme 2" "Enzyme" "P80365" "HSD11B2" "DHI2_HUMAN" 8.91 "IC50" "Inhibition of human 11beta-HSD2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL230006" "Tchem" "Homo sapiens" +"enoxolone" 3178 "Protein-tyrosine phosphatase 1C" "Enzyme" "P29350" "PTPN6" "PTN6_HUMAN" 4.18 "IC50" "Inhibition of recombinant SHP1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL230006" "Tchem" "Homo sapiens" +"enoxolone" 3178 "Tyrosine-protein phosphatase non-receptor type 11" "Enzyme" "Q06124" "PTPN11" "PTN11_HUMAN" 5.02 "IC50" "Inhibition of recombinant SHP2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL230006" "Tchem" "Homo sapiens" +"enoxolone" 3178 "Protein kinase C eta type" "Kinase" "P24723" "PRKCH" "KPCL_HUMAN" 6.6 "Kd" "Binding affinity to recombinant human PKCeta in after 2 hrs by microequilibrium dialysis assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL230006" "Tchem" "Homo sapiens" +"eseridine" 3186 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 6.82 "IC50" "Ex vivo inhibition of human erythrocyte Acetylcholinesterase." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL123248" "Tclin" "Homo sapiens" +"eseridine" 3186 "Cholinesterase" "Enzyme" "P06276" "BCHE" "CHLE_HUMAN" 7.92 "IC50" "Ex vivo inhibition of human plasma Butyrylcholinesterase." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL123248" "Tclin" "Homo sapiens" +"eseridine" 3186 "Acetylcholinesterase" "Enzyme" "P04058" "ache" "ACES_TORCA" 5.76 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL123248" "Torpedo californica" +"estriol" 3187 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.260348556 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"estriol" 3187 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 4.747535339 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"estriol" 3187 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.063737658 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" +"estriol" 3187 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 6.63 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193482" "Tchem" "Homo sapiens" +"estriol" 3187 "Lanosterol 14-alpha demethylase" "Enzyme" "P9WPP9" "cyp51" "CP51_MYCTU" 4 "Kd" "Binding affinity to Mycobacterium tuberculosis His4-tagged recombinant CYP51 substrate binding site expressed in Escherichia coli HMS174(DE3) by UV-visible spectral titration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193482" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"estriol" 3187 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 8.67 "Ki" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2821" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2821" "AGONIST" "Tclin" "Homo sapiens" +"estriol" 3187 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 8.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2821" "AGONIST" "Tclin" "Homo sapiens" +"estriol" 3187 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 5 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193482" "Tbio" "Homo sapiens" +"estrone" 3188 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.55036735 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"estrone" 3188 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.061680457 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"estrone" 3188 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.110978578 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"estrone" 3188 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.181180492 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" +"estrone" 3188 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 5.677780705 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"estrone" 3188 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 9.15 "EC50" "Activation of estrogen response element in HeLa cells stably transfected with human Estrogen receptor alpha." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1405" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1405" "AGONIST" "Tclin" "Homo sapiens" +"estrone" 3188 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 8.18 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1405" "Tchem" "Homo sapiens" +"estrone" 3188 "Steryl-sulfatase" "Enzyme" "P08842" "STS" "STS_HUMAN" 4.29 "IC50" "Inhibition of human steroid sulfatase using 4-methylumbelliferyl sulfate substrate after 10 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1405" "Tchem" "Homo sapiens" +"estrone" 3188 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 8.68 "EC50" "Activation of estrogen response element in HeLa cells stably transfected with human Estrogen receptor beta." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1405" "Tclin" "Homo sapiens" +"estrone" 3188 "Estradiol 17-beta-dehydrogenase 1" "Enzyme" "P14061" "HSD17B1" "DHB1_HUMAN" 8.52 "Ki" "Inhibition of 17beta-HSD1 assessed as conversion of [14C]estradiol to [14C]estrone using NADP+" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1405" "Tchem" "Homo sapiens" +"estrone" 3188 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 5 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1405" "Tbio" "Homo sapiens" +"ethacridine" 3194 "Telomerase reverse transcriptase" "Enzyme" "O14746" "TERT" "TERT_HUMAN" 5.09 "IC50" "Inhibitory activity against telomerase (Compound released from RNA/DNA heteroduplex derivatized resin [sequence (TTAGGG)3)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL94007" "Tchem" "Homo sapiens" +"ethacridine" 3194 "Reverse transcriptase" "Enzyme" "Q9WKE8" "reverse transcriptas" "Q9WKE8_9HIV1" 4.7 "IC50" "Inhibition of HIV-1 reverse transcriptase using Poly(rA).p(dT) (12 to 18) as substrate after 30 mins by single point PCR assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL94007" "Human immunodeficiency virus 1" +"kainic acid" 3201 "Glutamate receptor ionotropic, kainate 4" "Ion channel" "Q16099" "GRIK4" "GRIK4_HUMAN" 8.640164518 "Ki" "PDSP" "Tclin" "Homo sapiens" +"kainic acid" 3201 "Glutamate receptor 1" "Ion channel" "P42261" "GRIA1" "GRIA1_HUMAN" 5.13 "Ki" "Compound was tested for binding affinity against human Ionotropic glutamate receptor AMPA 1 in HEK293 cells using [3H]-AMPA as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL275040" "Tclin" "Homo sapiens" +"kainic acid" 3201 "Glutamate receptor ionotropic, AMPA" "Ion channel" "P19490|P19491|P19492|P19493" "Gria1|Gria2|Gria3|Gria4" "GRIA1_RAT|GRIA2_RAT|GRIA3_RAT|GRIA4_RAT" 7.53 "Ki" "Displacement of [3H]SYM2081 from kainate receptor in rat brain membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL275040" "Rattus norvegicus" +"kainic acid" 3201 "Glutamate receptor ionotropic, kainate 1" "Ion channel" "P22756" "Grik1" "GRIK1_RAT" 7.15 "Ki" "Displacement of [3H]SYM2081 from rat recombinant iGluR5" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL275040" "Rattus norvegicus" +"kainic acid" 3201 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 7.11 "IC50" "Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL275040" "Tchem" "Homo sapiens" +"kainic acid" 3201 "Glutamate receptor 4" "Ion channel" "P19493" "Gria4" "GRIA4_RAT" 5.45 "Ki" "Displacement of (R,S)-[5-methyl-3H]AMPA from rat recombinant flop iGluR4 expressed in Sf9 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL275040" "Rattus norvegicus" +"kainic acid" 3201 "Glutamate receptor ionotropic, kainate" "Ion channel" "P22756|P42260|P42264|Q01812|Q63273" "Grik1|Grik2|Grik3|Grik4|Grik5" "GRIK1_RAT|GRIK2_RAT|GRIK3_RAT|GRIK4_RAT|GRIK5_RAT" 8.37 "IC50" "Compound was evaluated for the inhibition of [3H]-KA binding to Ionotropic glutamate receptor kainate from rat brain synaptic membrane." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL275040" "Rattus norvegicus" +"kainic acid" 3201 "Glutamate receptor 3" "Ion channel" "P19492" "Gria3" "GRIA3_RAT" 5.7 "Ki" "Displacement of (R,S)-[5-methyl-3H]AMPA from rat recombinant flop iGluR3 expressed in Sf9 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL275040" "Rattus norvegicus" +"kainic acid" 3201 "Glutamate receptor 1" "Ion channel" "P19490" "Gria1" "GRIA1_RAT" 6.32 "Ki" "Displacement of (R,S)-[5-methyl-3H]AMPA from rat recombinant flop iGluR1 expressed in Sf9 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL275040" "Rattus norvegicus" +"kainic acid" 3201 "Glutamate receptor ionotropic, kainate 3" "Ion channel" "P42264" "Grik3" "GRIK3_RAT" 8.42 "Ki" "Displacement of [3H]SYM2081 from rat recombinant iGluR7" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL275040" "Rattus norvegicus" +"kainic acid" 3201 "Glutamate receptor ionotropic, kainate 5" "Ion channel" "Q16478" "GRIK5" "GRIK5_HUMAN" 8.1 "Ki" "Ability to bind to Ionotropic glutamate receptor kainate (kainate 2) was evaluated." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL275040" "Tclin" "Homo sapiens" +"kainic acid" 3201 "Glutamate receptor ionotropic, kainate 4" "Ion channel" "Q01812" "Grik4" "GRIK4_RAT" 8.33 "Ki" "Binding affinity to rat cloned KA1 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL275040" "Rattus norvegicus" +"kainic acid" 3201 "Glutamate receptor ionotropic, kainate 5" "Ion channel" "Q63273" "Grik5" "GRIK5_RAT" 7.82 "Ki" "Binding affinity to rat cloned KA2 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL275040" "Rattus norvegicus" +"kainic acid" 3201 "Glutamate receptor 4" "Ion channel" "P48058" "GRIA4" "GRIA4_HUMAN" 5.77 "Ki" "Compound was tested for binding affinity against human Ionotropic glutamate receptor AMPA 4 in HEK293 cells using [3H]AMPA as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL275040" "Tclin" "Homo sapiens" +"kainic acid" 3201 "Glutamate receptor 2" "Ion channel" "P19491" "Gria2" "GRIA2_RAT" 5.43 "Ki" "Displacement of (R,S)-[5-methyl-3H]AMPA from rat recombinant flop iGluR2(R) expressed in Sf9 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL275040" "Rattus norvegicus" +"kainic acid" 3201 "Glutamate receptor ionotropic, kainate 2" "Ion channel" "P42260" "Grik2" "GRIK2_RAT" 8.43 "Ki" "Inhibition of [3H]kainate binding at rat forebrain ionotropic glutamate receptor kainate 2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL275040" "Rattus norvegicus" +"kainic acid" 3201 "Glutamate receptor ionotropic, kainate 2" "Ion channel" "Q13002" "GRIK2" "GRIK2_HUMAN" 7.49 "Ki" "Binding affinity against human ionotropic glutamate receptor ionotropic kainate 2 in HEK293 cells using [3H]kainate as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL275040" "Tclin" "Homo sapiens" +"kainic acid" 3201 "Glutamate receptor 2" "Ion channel" "P42262" "GRIA2" "GRIA2_HUMAN" 4.91 "Ki" "Compound was tested for binding affinity against human Ionotropic glutamate receptor AMPA 2 in HK293 cells using [3H]AMPA as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL275040" "Tclin" "Homo sapiens" +"kainic acid" 3201 "Glutamate receptor ionotropic, kainate 1" "Ion channel" "P39086" "GRIK1" "GRIK1_HUMAN" 6.75 "Ki" "Binding affinity against human ionotropic glutamate receptor kainate 1 in HK293 cells using [3H]kainate as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL275040" "Tclin" "Homo sapiens" +"kainic acid" 3201 "Glutamate receptor ionotropic, kainate 3" "Ion channel" "Q13003" "GRIK3" "GRIK3_HUMAN" 8 "Ki" "Ability to bind to Ionotropic glutamate receptor ionotropic kainate 3 was evaluated" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL275040" "Tclin" "Homo sapiens" +"kainic acid" 3201 "Glutamate receptor 3" "Ion channel" "P42263" "GRIA3" "GRIA3_HUMAN" 5.580044252 "Ki" "PDSP" "Tclin" "Homo sapiens" +"nordefrin" 3203 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 8.11 "Ki" "Displacement of [3H]clonidine from Alpha-2 adrenergic receptor of rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL677" "Rattus norvegicus" +"etoxadrol" 3215 "Glutamate NMDA receptor" "Ion channel" "P35439|Q00959|Q00960|Q00961|Q62645|Q8VHN2|Q9R1M7" "Grin1|Grin2a|Grin2b|Grin2c|Grin2d|Grin3a|Grin3b" "NMD3A_RAT|NMD3B_RAT|NMDE1_RAT|NMDE2_RAT|NMDE3_RAT|NMDE4_RAT|NMDZ1_RAT" 6.97 "Ki" "Displacement of [3H]TCP from tissue homogenate preparation of whole rat brain minus cerebellum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL305904" "Rattus norvegicus" +"evans blue" 3217 "Tyrosine-protein phosphatase non-receptor type 1" "Enzyme" "P18031" "PTPN1" "PTN1_HUMAN" 5.89 "IC50" "Inhibition of human PTPase 1B" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1015" "Tchem" "Homo sapiens" +"evans blue" 3217 "Tyrosine-protein phosphatase 1" "Enzyme" "P25044" "PTP1" "PTP1_YEAST" 5.92 "IC50" "Inhibitory activity against Saccharomyces cerevisiae Tyrosine phosphatase 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1015" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"evans blue" 3217 "Ectonucleotide pyrophosphatase/phosphodiesterase family member 2" "Enzyme" "Q13822" "ENPP2" "ENPP2_HUMAN" 6.08 "Ki" "Competitive inhibition of human recombinant C-terminal FLAG-tagged autotaxin expressed in baculovirus-infected Sf9 cells assessed as FS-3 hydrolysis by Michaelis-Menten method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1015" "Tchem" "Homo sapiens" +"evans blue" 3217 "Vesicular glutamate transporter 3" "Unclassified" "Q7TSF2" "Slc17a8" "VGLU3_RAT" 7.4 "Ki" "Evaluated for competitive inhibition against Vesicular glutamate transporter (VGLUT), and Ki value was reported." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1015" "Rattus norvegicus" +"exisulind" 3219 "Endothelin-1 receptor" "GPCR" "P25101" "EDNRA" "EDNRA_HUMAN" 5.217240807 "Ki" "DRUGMATRIX: Endothelin ETA radioligand binding (ligand: [125I] Endothelin-1)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"exisulind" 3219 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 6.57024772 "IC50" "DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde)" "DRUG MATRIX" "=" "Rattus norvegicus" +"exisulind" 3219 "Mitogen-activated protein kinase 1" "Kinase" "P28482" "MAPK1" "MK01_HUMAN" 4.85933486 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"femoxetine" 3220 "Sodium-dependent dopamine transporter" "Transporter" "Q61327" "Slc6a3" "SC6A3_MOUSE" 8.04 "Ki" "Tested in vitro for serotonin(5-HT) neuronal uptake inhibition" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL94739" "Mus musculus" +"femoxetine" 3220 "Sodium-dependent noradrenaline transporter" "Transporter" "O55192" "Slc6a2" "SC6A2_MOUSE" 6.92 "Ki" "Tested in vitro for norepinephrine (NE) neuronal uptake inhibition" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL94739" "Mus musculus" +"femoxetine" 3220 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.958607315 "Ki" "PDSP" "Tclin" "Homo sapiens" +"femoxetine" 3220 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.036212173 "Ki" "PDSP" "Tclin" "Homo sapiens" +"femoxetine" 3220 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.823908741 "Ki" "PDSP" "Tclin" "Homo sapiens" +"femoxetine" 3220 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.657577319 "Ki" "PDSP" "Tclin" "Homo sapiens" +"femoxetine" 3220 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.397940009 "Ki" "PDSP" "Tclin" "Homo sapiens" +"femoxetine" 3220 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.327902142 "Ki" "PDSP" "Tclin" "Homo sapiens" +"femoxetine" 3220 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.229147988 "Ki" "PDSP" "Tclin" "Homo sapiens" +"femoxetine" 3220 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.119186408 "Ki" "PDSP" "Tclin" "Homo sapiens" +"femoxetine" 3220 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.688246139 "Ki" "PDSP" "Tclin" "Homo sapiens" +"femoxetine" 3220 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.641113796 "Ki" "PDSP" "Tclin" "Homo sapiens" +"femoxetine" 3220 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.37675071 "Ki" "PDSP" "Tclin" "Homo sapiens" +"fendosal" 3224 "Plasminogen activator inhibitor 1" "Secreted" "P05121" "SERPINE1" "PAI1_HUMAN" 4.82390880584717 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/12152654" "INHIBITOR" "Tchem" "Homo sapiens" +"fenoxazoline" 3225 "Nischarin" "Membrane receptor" "Q9Y2I1" "NISCH" "NISCH_HUMAN" 8.7 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14012" "Tclin" "Homo sapiens" +"fenticlor" 3227 "Uracil-DNA glycosylase" "Unclassified" "P04303" "UNG" "UNG_VACCW" 4.41 "IC50" "Inhibition of Vaccinia virus WR strain processivity factor D4 interaction with A20 protein assessed as inhibition of E9 DNA polymerase-mediated DIG-dUTP incorporation into DNA strand by rapid plate assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL473535" "Vaccinia virus (strain Western Reserve)" +"fumaric acid" 3229 "Egl nine homolog 1" "Enzyme" "Q9GZT9" "EGLN1" "EGLN1_HUMAN" 4.72 "IC50" "Inhibition of 2-oxoglutarate-dependent human recombinant HIF PHD2 preincubated for 1 hr" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL503160" "Tclin" "Homo sapiens" +"flusalan" 3236 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 6.8 "IC50" "Ability to induce 50% of maximal effect in rabbit vas deferens expressing Opioid receptor kappa 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL283552" "Tclin" "Homo sapiens" +"flusalan" 3236 "Mu-type opioid receptor" "GPCR" "P97266" "OPRM1" "OPRM_CAVPO" 7.92 "IC50" "Ability to induce 50% of maximal effect in guinea pig ileum expressing Opioid receptor mu 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL283552" "Cavia porcellus" +"flusalan" 3236 "Mu-type opioid receptor" "GPCR" "P42866" "Oprm1" "OPRM_MOUSE" 8.07 "IC50" "Ability to induce 50% of maximal effect in mouse vas deferens expressing Opioid receptor delta 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL283552" "Mus musculus" +"fosfestrol" 3248 "Estrogen receptor" "Nuclear hormone receptor" "P03372|Q92731" "ESR1|ESR2" "ESR1_HUMAN|ESR2_HUMAN" "Mechanism of Action; CHEMBL2093866; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200598" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200598" "AGONIST" "Tclin|Tclin" "Homo sapiens" +"fospropofol" 3249 "GABA-A receptor" "Ion channel" "O14764|P14867|P18505|P18507|P28472|P31644|P34903|P47869|P47870|P48169|Q16445|Q8N1C3|Q99928" "GABRA1|GABRA2|GABRA3|GABRA4|GABRA5|GABRA6|GABRB1|GABRB2|GABRB3|GABRD|GABRG1|GABRG2|GABRG3" "GBRA1_HUMAN|GBRA2_HUMAN|GBRA3_HUMAN|GBRA4_HUMAN|GBRA5_HUMAN|GBRA6_HUMAN|GBRB1_HUMAN|GBRB2_HUMAN|GBRB3_HUMAN|GBRD_HUMAN|GBRG1_HUMAN|GBRG2_HUMAN|GBRG3_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/019627s062lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/019627s062lbl.pdf" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"fumagillin" 3253 "Methionine aminopeptidase 2" "Enzyme" "P50579" "METAP2" "MAP2_HUMAN" 9.2 "IC50" "Inhibitory activity against Methionine aminopeptidase 2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL32838" "Tchem" "Homo sapiens" +"gabexate" 3257 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 6.05 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL87563" "Tchem" "Homo sapiens" +"gabexate" 3257 "Membrane primary amine oxidase" "Enzyme" "O08590" "Aoc3" "AOC3_RAT" 4.57 "Ki" "Inhibitory activity against porcine kidney amine oxidase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL87563" "Rattus norvegicus" +"gabexate" 3257 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 4.97 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL87563" "Tchem" "Homo sapiens" +"gabexate" 3257 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 6.3 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL87563" "Tchem" "Homo sapiens" +"gabexate" 3257 "Tryptase alpha/beta-1" "Enzyme" "Q15661" "TPSAB1" "TRYB1_HUMAN" 8.47 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7863" "INHIBITOR" "Tclin" "Homo sapiens" +"gentisic acid" 3260 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5.38 "Ki" "Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1461" "Tclin" "Homo sapiens" +"gentisic acid" 3260 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.39 "Ki" "Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1461" "Tclin" "Homo sapiens" +"gentisic acid" 3260 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 4.17 "Ki" "Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1461" "Tclin" "Homo sapiens" +"gentisic acid" 3260 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 4.17 "Ki" "Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1461" "Tclin" "Homo sapiens" +"gentisic acid" 3260 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" 4.12 "IC50" "Inhibition of human recombinant 5-lipoxygenase after 10 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1461" "Tclin" "Homo sapiens" +"gentisic acid" 3260 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 5.18 "Ki" "Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1461" "Tclin" "Homo sapiens" +"gentisic acid" 3260 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.14 "Ki" "Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1461" "Tclin" "Homo sapiens" +"hexamidine" 3275 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 6.65 "Ki" "compound was tested for inhibitory activity against Thrombin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL25105" "Tclin" "Homo sapiens" +"hexamidine" 3275 "Urokinase-type plasminogen activator" "Enzyme" "P00749" "PLAU" "UROK_HUMAN" 4.84 "Ki" "compound was tested for inhibitory activity against Urokinase-type plasminogen activator (microPa)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL25105" "Tchem" "Homo sapiens" +"hexamidine" 3275 "Trypsin-1" "Enzyme" "P07477" "PRSS1" "TRY1_HUMAN" 5.57 "Ki" "Inhibition of trypsin by amidase assay." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL25105" "Tclin" "Homo sapiens" +"hexamidine" 3275 "Suppressor of tumorigenicity 14 protein" "Enzyme" "Q9Y5Y6" "ST14" "ST14_HUMAN" 6.03 "Ki" "compound was tested for inhibitory activity against Matriptase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL25105" "Tchem" "Homo sapiens" +"hydroquinone" 3282 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 4.38 "Ki" "Inhibition of human carbonic anhydrase 14 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL537" "Tclin" "Homo sapiens" +"hydroquinone" 3282 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 4.97 "Ki" "Inhibition of human carbonic anhydrase 4 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL537" "Tclin" "Homo sapiens" +"hydroquinone" 3282 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 4.97 "Ki" "Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL537" "Tclin" "Homo sapiens" +"hydroquinone" 3282 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 4.85 "Ki" "Inhibition of human carbonic anhydrase 5A by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL537" "Tclin" "Homo sapiens" +"hydroquinone" 3282 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 4.13 "Ki" "Inhibition of mouse carbonic anhydrase 13 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL537" "Mus musculus" +"hydroquinone" 3282 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 4.49 "Ki" "Inhibition of human carbonic anhydrase 9 catalytic domain by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL537" "Tclin" "Homo sapiens" +"hydroquinone" 3282 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.11 "Ki" "Inhibition of human carbonic anhydrase 12 catalytic domain by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL537" "Tclin" "Homo sapiens" +"hydroquinone" 3282 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 4.97 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL537" "Mus musculus" +"hydroquinone" 3282 "Carbonic anhydrase" "Unclassified" "Q2PCB5" "ca" "Q2PCB5_DICLA" 5.23 "Ki" "Inhibition of Dicentrarchus labrax CA using 4-nitrophenylacetate substrate by esterase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL537" "Dicentrarchus labrax" +"hydroquinone" 3282 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 4.9 "Ki" "Inhibition of human carbonic anhydrase 5B by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL537" "Tclin" "Homo sapiens" +"hydroquinone" 3282 "Polyphenol oxidase 2" "Enzyme" "O42713" "PPO2" "PPO2_AGABI" 5.01 "IC50" "Inhibition of mushroom tyrosinase activity after 20 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL537" "Agaricus bisporus" +"hydroquinone" 3282 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 5.09 "Ki" "Inhibition of human carbonic anhydrase 3 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL537" "Tclin" "Homo sapiens" +"hydroquinone" 3282 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 7.05 "Ki" "Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL537" "Tclin" "Homo sapiens" +"oxyquinoline" 3290 "72 kDa type IV collagenase" "Enzyme" "P08253" "MMP2" "MMP2_HUMAN" 3.89 "IC50" "Inhibition of human recombinant MMP2 after 30 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL310555" "Tchem" "Homo sapiens" +"oxyquinoline" 3290 "Methionine aminopeptidase 2" "Enzyme" "P50579" "METAP2" "MAP2_HUMAN" 5.69 "IC50" "Inhibition of human methionine aminopeptidase 2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL310555" "Tchem" "Homo sapiens" +"oxyquinoline" 3290 "Methionine aminopeptidase 1" "Enzyme" "P53582" "METAP1" "MAP11_HUMAN" 4.67 "IC50" "Inhibition of human MetAP1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL310555" "Tchem" "Homo sapiens" +"oxyquinoline" 3290 "Catechol O-methyltransferase" "Enzyme" "P22734" "Comt" "COMT_RAT" 4.67 "IC50" "Inhibition of Sprague-Dawley rat liver COMT after 10 mins using 0.05 uCi [14CH3]-SAM as substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL310555" "Rattus norvegicus" +"oxyquinoline" 3290 "Bacterial leucyl aminopeptidase" "Enzyme" "Q01693" "AMPX_VIBPR" 6.8 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL310555" "Vibrio proteolyticus" +"ibufenac" 3293 "Prostaglandin G/H synthase 2" "Enzyme" "Q05769" "Ptgs2" "PGH2_MOUSE" 5.26 "IC50" "Inhibition of mouse COX2-mediated 2-arachidonoylglycerol oxygenation preincubated for 3 mins before 2-arachidonoylglycerol addition measured after 30 seconds" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL341812" "Mus musculus" +"iloperidone" 3294 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.30998134613037 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"iloperidone" 3294 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.07998085021973 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"iloperidone" 3294 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.48004102706909 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"iloperidone" 3294 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.8594 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14376" "ANTAGONIST" "Tclin" "Homo sapiens" +"iloperidone" 3294 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.9687 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14376" "ANTAGONIST" "Tclin" "Homo sapiens" +"iloperidone" 3294 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.6 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"iloperidone" 3294 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.53 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"iloperidone" 3294 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.7902 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"iloperidone" 3294 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 7.8239 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"iloperidone" 3294 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.05 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"iloperidone" 3294 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.91 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"iloperidone" 3294 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 6.4962 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"iloperidone" 3294 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.15 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"iloperidone" 3294 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.79 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"iloperidone" 3294 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.44 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"iloperidone" 3294 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 7.66 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"iloperidone" 3294 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.37 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"iloperidone" 3294 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.2269 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"iloperidone" 3294 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.1809 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"iloperidone" 3294 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.83 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"iloperidone" 3294 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.79 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"iloperidone" 3294 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.67 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"iloperidone" 3294 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2a|Htr2b|Htr2c" "5HT2A_RAT|5HT2B_RAT|5HT2C_RAT" 8.05 "IC50" "Affinity for 5-hydroxytryptamine 2 receptor binding sites by its ability to displace [3H]spiperone from rat frontal cortex." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14376" "Rattus norvegicus" +"iloperidone" 3294 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.19 "IC50" "Binding affinity against sigma receptor using [3H]-( +)-SKF10,047 radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14376" "Tclin" "Homo sapiens" +"iloperidone" 3294 "Alpha-2A adrenergic receptor" "GPCR" "P22909" "Adra2a" "ADA2A_RAT" 9.4 "IC50" "Binding affinity against Alpha-1 adrenergic receptor was determined using [3H]WB-4101 radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14376" "Rattus norvegicus" +"iloperidone" 3294 "5-hydroxytryptamine receptor 2A" "GPCR" "Q75Z89" "HTR2A" "5HT2A_BOVIN" 8.05 "IC50" "Binding affinity against 5-hydroxytryptamine 2 receptor was determined using [ [3H]spiperone radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14376" "Bos taurus" +"iloperidone" 3294 "5-hydroxytryptamine receptor 1A" "GPCR" "Q64264" "Htr1a" "5HT1A_MOUSE" 6.68 "IC50" "Binding affinity against 5-hydroxytryptamine 1A receptor was determined using [3H]-8-OH-DPAT radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14376" "Mus musculus" +"iloperidone" 3294 "D(1A) dopamine receptor" "GPCR" "Q61616" "Drd1" "DRD1_MOUSE" 6.12 "IC50" "Binding affinity against Dopamine receptor D1 was determined using [3H]SCH-23390 radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14376" "Mus musculus" +"iloperidone" 3294 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 6.96 "IC50" "Affinity for dopamine receptor D2 binding sites by its ability to displace [3H]spiperone from rat striatum." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14376" "Rattus norvegicus" +"iloperidone" 3294 "Gastrin/cholecystokinin type B receptor" "GPCR" "P32239" "CCKBR" "GASR_HUMAN" 5.029978734 "Ki" "PDSP" "Tclin" "Homo sapiens" +"iloperidone" 3294 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=87" "ANTAGONIST" "Rattus norvegicus" +"iloperidone" 3294 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 7.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=87" "ANTAGONIST" "Rattus norvegicus" +"iloperidone" 3294 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 7.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=87" "ANTAGONIST" "Rattus norvegicus" +"isoconazole" 3309 "Steroid 17-alpha-hydroxylase/17,20 lyase" "Enzyme" "P05093" "CYP17A1" "CP17A_HUMAN" 6.21 "Ki" "In vitro inhibition of human Cytochrome P450 17A1 activity" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1571863" "Tclin" "Homo sapiens" +"isoconazole" 3309 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P14902" "IDO1" "I23O1_HUMAN" 4.6399998664856 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1571863" "Tchem" "Homo sapiens" +"ivabradine" 3312 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1" "Ion channel" "O60741" "HCN1" "HCN1_HUMAN" 5.7 "IC50" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2357" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206143Orig1s000lbl.pdf" "BLOCKER" "Tclin" "Homo sapiens" +"ivabradine" 3312 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2" "Ion channel" "Q9UL51" "HCN2" "HCN2_HUMAN" "UNKNOWN" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206143Orig1s000lbl.pdf" "BLOCKER" "Tclin" "Homo sapiens" +"ivabradine" 3312 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 3" "Ion channel" "Q9P1Z3" "HCN3" "HCN3_HUMAN" 5.7 "IC50" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2357" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206143Orig1s000lbl.pdf" "BLOCKER" "Tclin" "Homo sapiens" +"ivabradine" 3312 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2" "Ion channel" "O88703" "Hcn2" "HCN2_MOUSE" 5.34 "EC50" "Blockade of mouse HCN2 expressed in HEK293 cells at -120 f-current amplitude by patch-clamp electrophysiological assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL471737" "Mus musculus" +"ivabradine" 3312 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4" "Ion channel" "Q9Y3Q4" "HCN4" "HCN4_HUMAN" 5.37 "EC50" "Blockade of human HCN4 expressed in HEK293 cells at -120 f-current amplitude by patch-clamp electrophysiological assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL471737" "Tclin" "Homo sapiens" +"ivabradine" 3312 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1" "Ion channel" "O88704" "Hcn1" "HCN1_MOUSE" 5.35 "EC50" "Blockade of mouse HCN1 expressed in HEK293 cells at -120 f-current amplitude by patch-clamp electrophysiological assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL471737" "Mus musculus" +"lenalidomide" 3317 "Protein cereblon" "Cytosolic other" "Q96SW2" "CRBN" "CRBN_HUMAN" 6.52739000320435 "EC50" "competitive titration of thalidomide with human DDB1-human CRBN (50 nM) and Cy5-thalidomide (20 nM)" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/25043012" "http://www.ncbi.nlm.nih.gov/pubmed/26131937" "MODULATOR" "Tclin" "Homo sapiens" +"lenalidomide" 3317 "Tumor necrosis factor" "Cytokine" "P01375" "TNF" "TNFA_HUMAN" 7.886 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"linoleic acid" 3323 "Free fatty acid receptor 1" "GPCR" "O14842" "FFAR1" "FFAR1_HUMAN" 5.7 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1052" "AGONIST" "Tchem" "Homo sapiens" +"linoleic acid" 3323 "Potassium voltage-gated channel subfamily B member 1" "Ion channel" "Q14721" "KCNB1" "KCNB1_HUMAN" 5.6 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1052" "ACTIVATOR" "Tclin" "Homo sapiens" +"linoleic acid" 3323 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 4.32 "IC50" "Inhibition of aromatase in human placental microsomes by radiometric method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267476" "Tclin" "Homo sapiens" +"linoleic acid" 3323 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 5.21 "IC50" "Displacement of [3H]BRL49653 from Homo sapiens (human) PPARgamma receptor by scintillation proximity assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267476" "Tclin" "Homo sapiens" +"linoleic acid" 3323 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 4.19 "IC50" "Displacement of [3H]DPCPX from rat adenosine A1 receptor by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267476" "Rattus norvegicus" +"linoleic acid" 3323 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 4.03 "IC50" "Inhibition of sheep COX2-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267476" "Ovis aries" +"linoleic acid" 3323 "Peroxisome proliferator-activated receptor delta" "Nuclear hormone receptor" "Q03181" "PPARD" "PPARD_HUMAN" 5 "IC50" "Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scintillation proximity assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267476" "Tchem" "Homo sapiens" +"linoleic acid" 3323 "Fatty acid-binding protein, heart" "Cytosolic other" "P05413" "FABP3" "FABPH_HUMAN" 9.7 "Kd" "Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) in DMPC liposomes by surface plasmon resonance analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267476" "Tchem" "Homo sapiens" +"linoleic acid" 3323 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 4.89 "IC50" "Inhibition of COX1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267476" "Tclin" "Homo sapiens" +"linoleic acid" 3323 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 8.32 "Kd" "Binding affinity to PPAR-alpha (unknown origin) by fluorescence-based assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267476" "Tclin" "Homo sapiens" +"linoleic acid" 3323 "Seed linoleate 13S-lipoxygenase-1" "Enzyme" "P08170" "LOX1.1" "LOX1_SOYBN" 6 "IC50" "Allosteric inhibition of soybean LO1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267476" "Glycine max" +"linoleic acid" 3323 "Tissue factor" "Membrane receptor" "P13726" "F3" "TF_HUMAN" 4.39 "IC50" "Inhibition of amidolytic activity of human tissue factor/human factor 7a" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267476" "Tchem" "Homo sapiens" +"linoleic acid" 3323 "Fatty acid-binding protein, adipocyte" "Cytosolic other" "P15090" "FABP4" "FABP4_HUMAN" 6 "IC50" "Displacement of 8-anilino-1-naphthalene-sulfonic acid from human His-FABP4 expressed in Escherichia coli BL21 (DE3) cells after 3 mins relative to linoleic acid" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267476" "Tchem" "Homo sapiens" +"linoleic acid" 3323 "Free fatty acid receptor 4" "GPCR" "Q5NUL3" "FFAR4" "FFAR4_HUMAN" 5.89 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1052" "AGONIST" "Tchem" "Homo sapiens" +"lodoxamide" 3325 "G-protein coupled receptor 35" "GPCR" "Q9HC97" "GPR35" "GPR35_HUMAN" 8.79317378997803 "EC50" "GPR35a–beta-arrestin-2 interaction assays performed using a CHO–K1 cell line stably expressing human GPR35 and beta-arrestin-2" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/24113750" "AGONIST" "Tchem" "Homo sapiens" +"lubeluzole" 3328 "Sodium channel protein type 2 subunit alpha" "Ion channel" "P04775" "Scn2a" "SCN2A_RAT" 6.59 "IC50" "In vitro inhibition of [14C]- guanidinium influx in Chinese hamster ovary (CHO) cells expressing rat brain sodium channel type IIA (CNaIIA-1)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL281724" "Rattus norvegicus" +"mestanolone" 3341 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 8.81 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL261514" "Tchem" "Homo sapiens" +"mestanolone" 3341 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" "Mechanism of Action" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01533" "http://www.kegg.jp/entry/D01533" "AGONIST" "Tclin" "Homo sapiens" +"mesterolone" 3342 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 9.6 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL258918" "Tchem" "Homo sapiens" +"methionine" 3347 "S-ribosylhomocysteine lyase" "Unclassified" "O34667" "luxS" "LUXS_BACSU" 4.21 "Ki" "Inhibition of cobalt substituted Bacillus subtilis LuxS" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42336" "Bacillus subtilis (strain 168)" +"methyltestosterone" 3356 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 6.076755981 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"methyltestosterone" 3356 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 7.48148606 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"methyltestosterone" 3356 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 8.43 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1395" "Tchem" "Homo sapiens" +"methyltestosterone" 3356 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 7.8 "IC50" "Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1395" "Rattus norvegicus" +"methyltestosterone" 3356 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 9.66 "EC50" "22Rv1 human prostate cells transfected with hAR and luciferase reporter plasmid driven by the androgen response element." "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6945" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1395" "AGONIST" "Tclin" "Homo sapiens" +"mitoguazone" 3362 "S-adenosylmethionine decarboxylase proenzyme" "Enzyme" "P17708" "Amd1" "DCAM_RAT" 6 "IC50" "Inhibitory concentration of compound against S-Adenosyl-methionine decarboxylase (SAMDC) from rat liver" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL216913" "Rattus norvegicus" +"mitoguazone" 3362 "Amiloride-sensitive amine oxidase [copper-containing]" "Enzyme" "P36633" "Aoc1" "AOC1_RAT" 5.82 "IC50" "In vitro inhibition of Diamine oxidase (DAO) from rat small intestine." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL216913" "Rattus norvegicus" +"moxestrol" 3366 "Estrogen receptor" "Nuclear hormone receptor" "P03372|Q92731" "ESR1|ESR2" "ESR1_HUMAN|ESR2_HUMAN" 8.6 "IC50" "Binding affinity for estrogen receptor of rabbit uterine skeletal muscle tissue" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1628161" "Tclin|Tclin" "Homo sapiens" +"naphazoline" 3369 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.3899998664856 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL761" "AGONIST" "Tclin" "Homo sapiens" +"naphazoline" 3369 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.3899998664856 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL761" "AGONIST" "Tclin" "Homo sapiens" +"naphazoline" 3369 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.67999982833862 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL761" "AGONIST" "Tclin" "Homo sapiens" +"naphazoline" 3369 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 8.24 "Ki" "Displacement of [3H]clonidine from Alpha-2 adrenergic receptor of rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL761" "Rattus norvegicus" +"naphazoline" 3369 "Adrenergic receptor alpha" "GPCR" "P15823|P19328|P22086|P22909|P23944|P43140" "Adra1a|Adra1b|Adra1d|Adra2a|Adra2b|Adra2c" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT|ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 8.24 "Ki" "Displacement of [3H]clonidine from alpha-adrenergic receptor in rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL761" "Rattus norvegicus" +"naphazoline" 3369 "Nischarin" "Unclassified" "Q4G017" "Nisch" "NISCH_RAT" 6.61 "Ki" "Binding affinity to I1 imidazoline binding site in Rattus norvegicus (rat) PC12 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL761" "Rattus norvegicus" +"naphazoline" 3369 "Nischarin" "Membrane receptor" "Q9Y2I1" "NISCH" "NISCH_HUMAN" 6.92 "Ki" "Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL761" "Tclin" "Homo sapiens" +"naphazoline" 3369 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 7.92 "EC50" "Compound was evaluated for Adrenergic activity against Alpha-1 adrenergic receptor from rat aorta" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL761" "Rattus norvegicus" +"neridronic acid" 3377 "Farnesyl pyrophosphate synthase" "Enzyme" "P14324" "FDPS" "FPPS_HUMAN" 7.2 "Ki" "Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL55214" "Tclin" "Homo sapiens" +"nifenalol" 3380 "Beta-2 adrenergic receptor" "GPCR" "Q28044" "ADRB2" "ADRB2_BOVIN" 5.88 "Kd" "Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL127349" "Bos taurus" +"octopamine" 3396 "TyR1" "GPCR" "H9TVJ1" "H9TVJ1_9NEOP" 6.01 "EC50" "Agonist activity at Chilo suppressalis (rice stem borer) tyramine receptor TyR1 expressed in HEK293 cells assessed as reduction in forskolin-induced cAMP accumulation incubated for 20 min" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53929" "Chilo suppressalis" +"octopamine" 3396 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 7.62 "EC50" "Activity at SER3 receptor expressed in HEK293 cells assessed as increase in calcium by calcium imaging assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53929" "Tclin" "Homo sapiens" +"octopamine" 3396 "Trace amine-associated receptor 1" "GPCR" "Q96RJ0" "TAAR1" "TAAR1_HUMAN" 5.8 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2149" "AGONIST" "Tclin" "Homo sapiens" +"octopamine" 3396 "Trace amine-associated receptor 1" "GPCR" "Q923Y9" "Taar1" "TAAR1_RAT" 5.9 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2149" "AGONIST" "Rattus norvegicus" +"octopamine" 3396 "Trace amine-associated receptor 1" "GPCR" "Q923Y8" "Taar1" "TAAR1_MOUSE" 5.8 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2149" "AGONIST" "Mus musculus" +"oleic acid" 3400 "Free fatty acid receptor 1" "GPCR" "O14842" "FFAR1" "FFAR1_HUMAN" 5.7 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1054" "AGONIST" "Tchem" "Homo sapiens" +"oleic acid" 3400 "Fatty-acid amide hydrolase 1" "Enzyme" "O00519" "FAAH" "FAAH1_HUMAN" 5.22 "Ki" "Inhibition of FAAH" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL8659" "Tchem" "Homo sapiens" +"oleic acid" 3400 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 4.49 "IC50" "Inhibition of aromatase in human placental microsomes by radiometric method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL8659" "Tclin" "Homo sapiens" +"oleic acid" 3400 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 5.39 "IC50" "Displacement of [3H]BRL49653 from Homo sapiens (human) PPARgamma receptor by scintillation proximity assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL8659" "Tclin" "Homo sapiens" +"oleic acid" 3400 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 6.74 "Ki" "Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP high binding affinity site expressed in Escherichia coli BL21 by competitive fluorescence displacement assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL8659" "Rattus norvegicus" +"oleic acid" 3400 "Fatty acid-binding protein, epidermal" "Cytosolic other" "Q01469" "FABP5" "FABP5_HUMAN" 6.61 "Ki" "Displacement of 1,8-ANS from eFABP by fluorescence based-assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL8659" "Tchem" "Homo sapiens" +"oleic acid" 3400 "Fatty acid-binding protein, liver" "Unclassified" "P07148" "FABP1" "FABPL_HUMAN" 6.7 "Kd" "Binding affinity to L-FABP high binding affinity site by titration calorimetry method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL8659" "Tchem" "Homo sapiens" +"oleic acid" 3400 "Peroxisome proliferator-activated receptor delta" "Nuclear hormone receptor" "Q03181" "PPARD" "PPARD_HUMAN" 5.28 "IC50" "Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scintillation proximity assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL8659" "Tchem" "Homo sapiens" +"oleic acid" 3400 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 6.22 "IC50" "Inhibition of PPAR-alpha (unknown origin) by SPA assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL8659" "Tclin" "Homo sapiens" +"oleic acid" 3400 "Seed linoleate 13S-lipoxygenase-1" "Enzyme" "P08170" "LOX1.1" "LOX1_SOYBN" 4.66 "Ki" "Binding affinity to soybean LO1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL8659" "Glycine max" +"oleic acid" 3400 "Tissue factor" "Membrane receptor" "P13726" "F3" "TF_HUMAN" 4.1 "IC50" "Inhibition of amidolytic activity of human tissue factor/human factor 7a" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL8659" "Tchem" "Homo sapiens" +"oleic acid" 3400 "Fatty acid-binding protein, adipocyte" "Cytosolic other" "P15090" "FABP4" "FABP4_HUMAN" 6.73 "Ki" "Displacement of 1,8-ANS from aFABP by fluorescence based-assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL8659" "Tchem" "Homo sapiens" +"oleic acid" 3400 "DNA topoisomerase 1" "Enzyme" "P11387" "TOP1" "TOP1_HUMAN" 4.51 "IC50" "Inhibition of DNA topoisomerase 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL8659" "Tclin" "Homo sapiens" +"oleic acid" 3400 "Free fatty acid receptor 4" "GPCR" "Q5NUL3" "FFAR4" "FFAR4_HUMAN" 4.7 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1054" "AGONIST" "Tchem" "Homo sapiens" +"oleic acid" 3400 "Telomerase reverse transcriptase" "Enzyme" "O14746" "TERT" "TERT_HUMAN" 5.07000017166138 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL8659" "Tchem" "Homo sapiens" +"ornithine" 3401 "G-protein coupled receptor family C group 6 member A" "GPCR" "Q5T6X5" "GPRC6A" "GPC6A_HUMAN" 4 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=725" "AGONIST" "Tbio" "Homo sapiens" +"oxetacaine" 3407 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.64 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL127592" "Tclin|Tclin|Tclin" "Homo sapiens" +"oxiconazole" 3408 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.684449466 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"oxiconazole" 3408 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.815024809 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"oxiconazole" 3408 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 7.045757491 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"oxiconazole" 3408 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.371508895 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"oxiconazole" 3408 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.72250539 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"oxiconazole" 3408 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.49660431 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"oxiconazole" 3408 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.924672066 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"oxiconazole" 3408 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.532924916 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"oxiconazole" 3408 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.778246806 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"oxiconazole" 3408 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.169347186 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"oxiconazole" 3408 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.942828558 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"oxiconazole" 3408 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.017547849 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"oxiconazole" 3408 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.448708622 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"oxiconazole" 3408 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.218172847 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"oxiconazole" 3408 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.675758712 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"oxiconazole" 3408 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"oxiconazole" 3408 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 6.445389715 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"oxiconazole" 3408 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.727879791 "Ki" "DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"oxiconazole" 3408 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 5.332874059 "IC50" "DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"oxiconazole" 3408 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.522878745 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"oxiconazole" 3408 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 7.397940009 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"oxiconazole" 3408 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 6.209433375 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"oxiconazole" 3408 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.969036158 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"oxiconazole" 3408 "Lanosterol 14-alpha demethylase" "Enzyme" "P10613" "ERG11" "CP51_CANAL" "Mechanism of Action; CHEMBL1780; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1262" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1262" "INHIBITOR" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"oxiconazole" 3408 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P14902" "IDO1" "I23O1_HUMAN" 4.55000019073486 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1262" "Tchem" "Homo sapiens" +"oxiconazole" 3408 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.25 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1262" "Rattus norvegicus" +"oxybenzone" 3412 "Hormone-sensitive lipase" "Enzyme" "P15304" "Lipe" "LIPS_RAT" 5.49 "IC50" "Inhibition of HSL in Wistar rat isolated fat cells by spectrophotometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1625" "Rattus norvegicus" +"oxycinchophen" 3413 "cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A" "Enzyme" "Q9Y233" "PDE10A" "PDE10_HUMAN" 4.82 "Kd" "Binding affinity to human PDE10A catalytic domain expressed in Escherichia coli BL21-Gold(DE3) after 15 mins by SPR inhibition in solution assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL219376" "Tclin" "Homo sapiens" +"oxycinchophen" 3413 "Dihydroorotate dehydrogenase (quinone), mitochondrial" "Enzyme" "Q02127" "DHODH" "PYRD_HUMAN" 4.92 "IC50" "Inhibition of human recombinant DHOD expressed in Escherichia coli" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL219376" "Tclin" "Homo sapiens" +"pentazocine" 3424 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 8.76 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL560" "MODULATOR" "Tclin" "Homo sapiens" +"pentazocine" 3424 "Kappa-type opioid receptor" "GPCR" "P41144" "OPRK1" "OPRK_CAVPO" 7.12 "Ki" "Binding affinity to Opioid receptor kappa 1 in guinea pig cortex using [3H]EKC as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL560" "Cavia porcellus" +"pentazocine" 3424 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 8.16 "Ki" "Binding affinity to Opioid receptor mu 1 in rat brain using [3H]-NAL as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL560" "Rattus norvegicus" +"pentazocine" 3424 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprk1|Oprm1|Sigmar1" "OPRD_RAT|OPRK_RAT|OPRM_RAT|SGMR1_RAT" 7.9 "IC50" "Inhibition of [3H]-Naloxone binding to rat brain membrane without NaCl" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL560" "Rattus norvegicus" +"pentazocine" 3424 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q9R0C9" "Sigmar1" "SGMR1_RAT" 7.92 "Ki" "Displacement of (+)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cerebral membrane after 90 mins by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL560" "Rattus norvegicus" +"pentazocine" 3424 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 7.3071 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"pentazocine" 3424 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 8.6576 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"pentazocine" 3424 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 8.409 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"phenacaine" 3434 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.77 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL127123" "Tclin|Tclin|Tclin" "Homo sapiens" +"adipic acid" 3474 "Solute carrier family 22 member 6" "Transporter" "Q8VC69" "Slc22a6" "S22A6_MOUSE" 6.39 "Ki" "Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1157" "Mus musculus" +"podophyllotoxin" 3481 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6.22184875 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"podophyllotoxin" 3481 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.397940009 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"podophyllotoxin" 3481 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 5.301029996 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"podophyllotoxin" 3481 "Tubulin" "Structural" "P02550|P02554" "TUBA1A" "TBA1A_PIG|TBB_PIG" 5.66 "Ki" "Binding affinity against tubulin using [3H]colchicine as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL61" "Sus scrofa" +"podophyllotoxin" 3481 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 7.85 "IC50" "Inhibition of human glucocorticoid receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL61" "Tclin" "Homo sapiens" +"podophyllotoxin" 3481 "Tubulin alpha-1A chain" "Structural" "P02550" "TUBA1A" "TBA1A_PIG" 6.34 "IC50" "Inhibition of tubulin polymerization. (ITP)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL61" "Sus scrofa" +"podophyllotoxin" 3481 "Human papillomavirus regulatory protein E2" "Unclassified" "P03120" "E2" "VE2_HPV16" 4.15 "Kd" "Binding affinity to HPV16 recombinant E2 protein by surface plasmon resonance method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL61" "Human papillomavirus type 16" +"podophyllotoxin" 3481 "Regulatory protein E2" "Unclassified" "P04015" "E2" "VE2_HPV11" 4.7 "Kd" "Binding affinity to HPV11 recombinant E2 protein by surface plasmon resonance method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL61" "Human papillomavirus type 11" +"podophyllotoxin" 3481 "Regulatory protein E2" "Unclassified" "P03118" "E2" "VE2_HPV1A" 5.98 "Kd" "Binding affinity to HPV1a recombinant E2 protein hinge domain by surface plasmon resonance assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL61" "Human papillomavirus type 1a" +"podophyllotoxin" 3481 "Tubulin" "Structural" "P04350|P07437|P68363|P68366|P68371|Q13509|Q13748|Q13885|Q3ZCM7|Q6PEY2|Q71U36|Q9BQE3|Q9BUF5|Q9BVA1|Q9H4B7" "TUBA1A|TUBA1B|TUBA1C|TUBA3C|TUBA3E|TUBA4A|TUBB|TUBB1|TUBB2A|TUBB2B|TUBB3|TUBB4A|TUBB4B|TUBB6|TUBB8" "TBA1A_HUMAN|TBA1B_HUMAN|TBA1C_HUMAN|TBA3C_HUMAN|TBA3E_HUMAN|TBA4A_HUMAN|TBB1_HUMAN|TBB2A_HUMAN|TBB2B_HUMAN|TBB3_HUMAN|TBB4A_HUMAN|TBB4B_HUMAN|TBB5_HUMAN|TBB6_HUMAN|TBB8_HUMAN" 6 "IC50" "In vitro inhibition of mammalian tubulin polymerization by 50%" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL61" "Tchem|Tchem|Tchem|Tchem|Tchem|Tchem|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"podophyllotoxin" 3481 "Tubulin" "Structural" "Q6B856|Q862F3|Q862L2" "TUBB2B" "Q862F3_BOVIN|Q862L2_BOVIN|TBB2B_BOVIN" 6.34 "IC50" "Inhibition of bovine brain tubulin polymerization (ITP)." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL61" "Bos taurus" +"polyestradiol phosphate" 3482 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" "Mechanism of Action; CHEMBL206; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201477" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201477" "AGONIST" "Tclin" "Homo sapiens" +"posaconazole" 3483 "Lanosterol 14-alpha demethylase" "Enzyme" "P10613" "ERG11" "CP51_CANAL" 9.3984 "MIC" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1397" "INHIBITOR" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"posaconazole" 3483 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"posaconazole" 3483 "14-alpha sterol demethylase" "Enzyme" "Q96W81" "cyp51B" "Q96W81_ASPFM" 7.14 "Kd" "Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme B expressed in Escherichia coli assessed as tight binding affinity constant" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1397" "Neosartorya fumigata" +"posaconazole" 3483 "14-alpha sterol demethylase Cyp51A" "Enzyme" "Q4WNT5" "Q4WNT5_ASPFU" 5.57 "Kd" "Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme A expressed in Escherichia coli" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1397" "Neosartorya fumigata (strain ATCC MYA-4609 / Af293 / CBS 101355 / FGSC A1100)" +"practolol" 3486 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.8 "Ki" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=555" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=555" "ANTAGONIST" "Tclin" "Homo sapiens" +"practolol" 3486 "Beta-2 adrenergic receptor" "GPCR" "Q28044" "ADRB2" "ADRB2_BOVIN" 4.69 "Kd" "Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6995" "Bos taurus" +"practolol" 3486 "Beta-1 adrenergic receptor" "GPCR" "P18090" "Adrb1" "ADRB1_RAT" 6.47 "Kd" "Antagonist activity at beta1 adrenergic receptor in isolated rat atria" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6995" "Rattus norvegicus" +"practolol" 3486 "Beta-2 adrenergic receptor" "GPCR" "Q8K4Z4" "Adrb2" "ADRB2_CAVPO" 5.8 "Kd" "Ability to block Beta-2 adrenergic receptor in guinea pig trachea preparation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6995" "Cavia porcellus" +"practolol" 3486 "Beta-1 adrenergic receptor" "GPCR" "B0FL73" "ADRB1" "B0FL73_CAVPO" 6.98 "Kd" "In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea pig atrial preparations" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6995" "Cavia porcellus" +"practolol" 3486 "Beta-2 adrenergic receptor" "Unclassified" "P18762" "Adrb2" "ADRB2_MOUSE" 4.87 "Ki" "Ki value was determined by accumulation of c-AMP in S-49 mouse lymphoma cells (Beta2)." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6995" "Mus musculus" +"pramocaine" 3487 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.292429824 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"pramocaine" 3487 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.19859629 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"pramocaine" 3487 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.67 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1198" "Tclin|Tclin|Tclin" "Homo sapiens" +"propamidine" 3493 "Trypsin-1" "Enzyme" "P07477" "PRSS1" "TRY1_HUMAN" 5.48 "Ki" "Inhibition of trypsin by amidase assay." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL23013" "Tclin" "Homo sapiens" +"propamidine" 3493 "Acrosin" "Unclassified" "P08001" "ACR" "ACRO_PIG" 5.46 "Ki" "Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL23013" "Sus scrofa" +"propoxycaine" 3496 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.62 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1195" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1195" "BLOCKER" "Tclin|Tclin|Tclin" "Homo sapiens" +"protoporphyrin" 3500 "Cytoplasmic zinc-finger protein" "Unclassified" "G5EF15" "pos-1" "G5EF15_CAEEL" 5 "EC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267548" "Caenorhabditis elegans" +"protoporphyrin" 3500 "Zinc finger protein mex-5" "Cytosolic other" "Q9XUB2" "mex-5" "MEX5_CAEEL" 5.05 "EC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267548" "Caenorhabditis elegans" +"prucalopride" 3502 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 5.4 "Ki" "Binding affinity at 5HT3 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL117287" "Tclin" "Homo sapiens" +"prucalopride" 3502 "5-hydroxytryptamine receptor 4" "GPCR" "Q13639" "HTR4" "5HT4R_HUMAN" 8.6 "Ki" "Binding affinity at 5HT4 receptor" "CHEMBL" "=" 1 "DRUG LABEL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL117287" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/001012/WC500053998.pdf" "AGONIST" "Tclin" "Homo sapiens" +"prucalopride" 3502 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.628932138 "Ki" "PDSP" "Tchem" "Homo sapiens" +"homonicotinic acid" 3505 "Hydroxycarboxylic acid receptor 2" "GPCR" "Q8TDS4" "HCAR2" "HCAR2_HUMAN" 5.3 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1590" "AGONIST" "Tclin" "Homo sapiens" +"pyridoxal phosphate" 3506 "P2X purinoceptor 1" "Ion channel" "P51575" "P2RX1" "P2RX1_HUMAN" 5 "IC50" "Antagonist activity at P2X1 receptor (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL82202" "Tchem" "Homo sapiens" +"pyrithione" 3508 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 5.54 "Ki" "Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1356238" "Tclin" "Homo sapiens" +"pyrithione" 3508 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.21 "Ki" "Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1356238" "Tclin" "Homo sapiens" +"pyrithione" 3508 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 5.11 "Ki" "Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1356238" "Tclin" "Homo sapiens" +"pyrithione" 3508 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 5.29 "Ki" "Inhibition of human recombinant carbonic anhydrase 5A preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1356238" "Tclin" "Homo sapiens" +"pyrithione" 3508 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 5.76 "Ki" "Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1356238" "Tclin" "Homo sapiens" +"pyrithione" 3508 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.27 "Ki" "Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1356238" "Tclin" "Homo sapiens" +"pyrithione" 3508 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 5.62 "Ki" "Inhibition of human recombinant carbonic anhydrase 6 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1356238" "Tclin" "Homo sapiens" +"pyrithione" 3508 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 5.38 "Ki" "Inhibition of human recombinant carbonic anhydrase 13 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1356238" "Tclin" "Homo sapiens" +"pyrithione" 3508 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 5.45 "Ki" "Inhibition of human recombinant carbonic anhydrase 5B preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1356238" "Tclin" "Homo sapiens" +"pyrithione" 3508 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 5.79 "Ki" "Inhibition of human recombinant carbonic anhydrase 3 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1356238" "Tclin" "Homo sapiens" +"pyrithione" 3508 "FAD-linked sulfhydryl oxidase ALR" "Enzyme" "P55789" "GFER" "ALR_HUMAN" 6.3600001335144 "AC50" "PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1356238" "Tchem" "Homo sapiens" +"pyrovalerone" 3511 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 8.1 "Ki" "Displacement of [3H]WIN-35428 from human dopamine transporter expressed in mouse N2A cells by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL201960" "Tclin" "Homo sapiens" +"pyrovalerone" 3511 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.71 "Ki" "Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL201960" "Tclin" "Homo sapiens" +"pyrovalerone" 3511 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.42 "Ki" "Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL201960" "Tclin" "Homo sapiens" +"quercetin" 3514 "Focal adhesion kinase 1" "Kinase" "Q05397" "PTK2" "FAK1_HUMAN" 5.92 "IC50" "Inhibition of FAK (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Casein kinase II subunit alpha" "Kinase" "P68400" "CSNK2A1" "CSK21_HUMAN" 5.93 "Ki" "Inhibitory constant against Zea mays CK2alpha" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Lysine--tRNA ligase" "Enzyme" "Q15046" "KARS" "SYK_HUMAN" 4.7 "IC50" "Inhibition of SYK" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 6.23 "IC50" "Inhibition of recombinant FLT3 (unknown origin) by TR-FRET assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Aldose reductase" "Enzyme" "P16116" "AKR1B1" "ALDR_BOVIN" 5.55 "IC50" "Inhibition of aldose reductase from calf lense by AR assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Bos taurus" +"quercetin" 3514 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 6.05 "IC50" "Inhibition of EGFR" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 7.41 "Kd" "Inhibition of human thrombin assessed as equilibrium dissociation constant at 50 to 1000 uM by BIAcore analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 4.52 "Ki" "Displacement of [125I]AB-MECA binding to human Adenosine A3 receptor expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "RAC-alpha serine/threonine-protein kinase" "Kinase" "P31749" "AKT1" "AKT1_HUMAN" 5.27 "IC50" "Inhibition of AKT1 (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.6 "Ki" "Inhibition of human CA2 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Cell division protein kinase 5" "Unclassified" "Q03114" "Cdk5" "CDK5_RAT" 4.2 "EC50" "Inhibition of rat fetal brain CDK5 assessed as phosphorylated histone H1 levels by immuno-precipitation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Rattus norvegicus" +"quercetin" 3514 "Urokinase-type plasminogen activator" "Enzyme" "P00749" "PLAU" "UROK_HUMAN" 4.92 "IC50" "Inhibition of urokinase amidolytic activity (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Cationic trypsin" "Enzyme" "P00760" "TRY1_BOVIN" 5.15 "IC50" "Inhibitory concentration of the compounds against Bovine trypsin enzyme." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Bos taurus" +"quercetin" 3514 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 5.04 "Ki" "Inhibition of mouse CA13 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Mus musculus" +"quercetin" 3514 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 6.37 "IC50" "Inhibition of 15LOX in rabbit reticulocytes by EIA assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Oryctolagus cuniculus" +"quercetin" 3514 "Beta-lactamase" "Enzyme" "P00811" "ampC" "AMPC_ECOLI" 5.4 "IC50" "Inhibitory activity against Amp C beta-Lactamase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Escherichia coli (strain K12)" +"quercetin" 3514 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.15 "Kd" "Binding affinity to ABCB1 nucleotide binding domain 2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.03 "Ki" "Inhibition of human CA12 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Aldose reductase" "Enzyme" "P80276" "AKR1B1" "ALDR_PIG" 4.3 "IC50" "Inhibition of pig lens aldose reductase by spectrophotometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Sus scrofa" +"quercetin" 3514 "Amine oxidase [flavin-containing] A" "Enzyme" "P21398" "MAOA" "AOFA_BOVIN" 8 "IC50" "Inhibition of bovine MAO-A by fluorimetric method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Bos taurus" +"quercetin" 3514 "Phospholipase A2" "Enzyme" "P04054" "PLA2G1B" "PA21B_HUMAN" 5.7 "IC50" "Inhibition of phospholipase A2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 6.55 "IC50" "Inhibition of VEGFR2 (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 6.92 "IC50" "Inhibition of SRC (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Alpha-amylase 1" "Enzyme" "P04745" "AMY1A" "AMY1_HUMAN" 4.67 "IC50" "Inhibition of human salivary alpha-amylase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Cyclin-dependent kinase 2" "Kinase" "P24941" "CDK2" "CDK2_HUMAN" 4.4 "IC50" "Inhibition of CDK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.1 "Ki" "Inhibition of human CA4 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "NADPH oxidase 4" "Enzyme" "Q9NPH5" "NOX4" "NOX4_HUMAN" 6.17 "IC50" "Inhibition of NOX4 expressed in HEK293 FS cells assessed as H2O2 production by H2O2/Tyr/LPO assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Arachidonate 5-lipoxygenase" "Enzyme" "P12527" "Alox5" "LOX5_RAT" 6.7 "IC50" "In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Rattus norvegicus" +"quercetin" 3514 "Xanthine dehydrogenase/oxidase" "Enzyme" "P80457" "XDH" "XDH_BOVIN" 5.92 "Ki" "Inhibition of bovine xanthine oxidase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Bos taurus" +"quercetin" 3514 "Cyclin-dependent kinase 5/CDK5 activator 1" "Kinase" "Q00535|Q15078" "CDK5|CDK5R1" "CD5R1_HUMAN|CDK5_HUMAN" 4.64 "IC50" "Inhibition of Cyclin-dependent kinase 5-p25nck5a" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem|Tchem" "Homo sapiens" +"quercetin" 3514 "Chymotrypsin C" "Enzyme" "Q99895" "CTRC" "CTRC_HUMAN" 4 "IC50" "Inhibitory activity against chymotrypsinogen" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Cyclin-dependent kinase 4/cyclin D1" "Kinase" "P11802|P24385" "CCND1|CDK4" "CCND1_HUMAN|CDK4_HUMAN" 4.21 "IC50" "Inhibitory activity against cyclin-dependent kinase 4-cyclin D1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem|Tclin" "Homo sapiens" +"quercetin" 3514 "Sorbitol dehydrogenase" "Enzyme" "Q00796" "SORD" "DHSO_HUMAN" 4.45 "IC50" "In vitro inhibitory activity against sorbitol dehydrogenase (SD) from sheep liver" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Cyclin-dependent kinase 1/cyclin B1" "Kinase" "P06493|P14635" "CCNB1|CDK1" "CCNB1_HUMAN|CDK1_HUMAN" 4.7 "IC50" "Inhibition of Cyclin-dependent kinase 1-cyclin B1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem|Tchem" "Homo sapiens" +"quercetin" 3514 "Hypoxia-inducible factor 1-alpha inhibitor" "Unclassified" "Q9NWT6" "HIF1AN" "HIF1N_HUMAN" 4.99 "IC50" "Inhibition of human recombinant FIH1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tbio" "Homo sapiens" +"quercetin" 3514 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 6.24 "IC50" "Inhibition of wild type MET (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Cyclin-dependent kinase 6" "Kinase" "Q00534" "CDK6" "CDK6_HUMAN" 4.6 "IC50" "Inhibition of human cyclin-dependent kinase 6 complex with a virus-encoded cyclin from herpesvirus saimiri (Vcyclin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "D-alanylalanine synthetase" "Unclassified" "P07862" "ddlB" "DDLB_ECOLI" 4.7 "IC50" "Competitive inhibition of Escherichia coli DdlB using ATP as substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Escherichia coli (strain K12)" +"quercetin" 3514 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" 6.1 "IC50" "Inhibition of 5LOX in human PBMC by EIA assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 5.79 "IC50" "Inhibition of human recombinant MMP9 catalytic domain incubated for 20 mins by fluorimetric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 7.92 "IC50" "Inhibition of human placental microsome CYP19" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Calcium/calmodulin-dependent protein kinase type II subunit beta" "Kinase" "Q13554" "CAMK2B" "KCC2B_HUMAN" 5.52 "IC50" "Inhibition of CAMK2 using autocamtide-2 as substrate after 30 mins by PKLight assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Bifunctional epoxide hydrolase 2" "Enzyme" "P34913" "EPHX2" "HYES_HUMAN" 4.47 "IC50" "Inhibition of sEH (unknown origin) assessed as substrate PHOME hydrolysis after 1 hr by fluorescence method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" 5.62 "Ki" "Inhibition of MRP1 transfected in human HeLa cells assessed as inhibition of [3H]LTC4 transport by rapid filtration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Sialidase" "Enzyme" "P10481" "nanH" "NANH_CLOPF" 5.77 "IC50" "Inhibition of Clostridium perfringens neuraminidase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Clostridium perfringens" +"quercetin" 3514 "Tyrosine-protein phosphatase non-receptor type 1" "Enzyme" "P18031" "PTPN1" "PTN1_HUMAN" 4.63 "IC50" "The inhibitory activity tested against human Protein-tyrosine phosphatase 1B enzyme" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 5.55 "IC50" "Inhibition of human MAOA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 4.42 "Ki" "Inhibition of human recombinant AChE by Ellman's method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Adenosine receptor A2a" "GPCR" "P30543" "Adora2a" "AA2AR_RAT" 5.16 "Ki" "Affinity at Adenosine A2A receptor in rat striatal membranes by [3H]- CGS 21680 displacement." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Rattus norvegicus" +"quercetin" 3514 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.11 "Ki" "Binding affinity to dopamine D4 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Phosphatidylinositol 3-kinase regulatory subunit alpha" "Kinase" "P27986" "PIK3R1" "P85A_HUMAN" 5.42 "IC50" "Inhibition of PI3K" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Chymotrypsinogen B" "Enzyme" "P17538" "CTRB1" "CTRB1_HUMAN" 4 "IC50" "Inhibitory activity against Chymotrypsinogen from Thermus flavus" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Serine/threonine-protein kinase PLK1" "Kinase" "P53350" "PLK1" "PLK1_HUMAN" 5.24 "IC50" "Inhibition of PLK1 (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "NUAK family SNF1-like kinase 1" "Kinase" "O60285" "NUAK1" "NUAK1_HUMAN" 5.29 "IC50" "Inhibition of ARK5 (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Enoyl-[acyl-carrier-protein] reductase [NADH] FabI" "Enzyme" "P0AEK4" "fabI" "FABI_ECOLI" 4.7 "IC50" "Inhibition of Escherichia coli ENR" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Escherichia coli (strain K12)" +"quercetin" 3514 "Dipeptidyl peptidase 4" "Enzyme" "P27487" "DPP4" "DPP4_HUMAN" 4.49 "IC50" "Inhibition of human DPP4 using H-Gly-Pro-AMC peptide substrate assessed as increase in fluorescence for 20 mins by fluorimetric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Amine oxidase [flavin-containing] B" "Enzyme" "P56560" "MAOB" "AOFB_BOVIN" 4.7 "IC50" "Inhibition of bovine MAO-B by fluorimetric method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Bos taurus" +"quercetin" 3514 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 4.05 "IC50" "Inhibition of human MAOB" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Replicase polyprotein 1ab" "Enzyme" "P0C6X7" "rep" "R1AB_CVHSA" 5.09 "IC50" "Inhibition of SARS coronavirus helicase assessed as duplex-DNA unwinding by FRET based assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Human SARS coronavirus" +"quercetin" 3514 "Prolyl endopeptidase" "Enzyme" "P48147" "PREP" "PPCE_HUMAN" 4.89 "IC50" "Inhibition of human brain prolyl oligopeptidase expressed in Escherichia coli" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Vasopressin V2 receptor" "GPCR" "P30518" "AVPR2" "V2R_HUMAN" 5.2 "IC50" "Inhibition of vasopressin-stimulated vasopressin V2 receptor in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "G-protein coupled receptor 35" "GPCR" "Q9HC97" "GPR35" "GPR35_HUMAN" 4.81 "IC50" "Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 4.54 "IC50" "Inhibition of human recombinant COX2 expressed in insect Sf21 cells by EIA assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Beta-secretase 1" "Enzyme" "P56817" "BACE1" "BACE1_HUMAN" 4.85 "Ki" "Noncompetitive inhibition of human recombinant BACE1 after 60 mins by Dixon plot analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Aldo-keto reductase family 1 member C21" "Enzyme" "Q91WR5" "Akr1c21" "AK1CL_MOUSE" 4.96 "Ki" "Inhibition of mouse recombinant AKR1C21" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Mus musculus" +"quercetin" 3514 "Calmodulin" "Cytosolic other" "P0DP23|P0DP24|P0DP25" "CALM1|CALM2|CALM3" "CALM1_HUMAN|CALM2_HUMAN|CALM3_HUMAN" 4.89 "IC50" "Inhibition of human recombinant calmodulin assessed as inhibition of calmodulin-sensitive cAMP phosphodiesterase activation after 15 mins by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "72 kDa type IV collagenase" "Enzyme" "P08253" "MMP2" "MMP2_HUMAN" 5.18 "IC50" "Inhibition of human recombinant MMP2 catalytic domain incubated for 20 mins by fluorimetric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Myeloperoxidase" "Enzyme" "P05164" "MPO" "PERM_HUMAN" 5.9 "IC50" "Inhibition of myeloperoxidase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Stromelysin-1" "Enzyme" "P08254" "MMP3" "MMP3_HUMAN" 5.25 "IC50" "Inhibition of human recombinant MMP3 catalytic domain incubated for 20 mins by fluorimetric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Cyclin-dependent kinase 1" "Kinase" "P06493" "CDK1" "CDK1_HUMAN" 6.35 "IC50" "Inhibition of CDK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 5.61 "Ki" "Displacement of specific [3H]PIA binding from adenosine A1 receptor in rat brain membranes." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Rattus norvegicus" +"quercetin" 3514 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 6 "IC50" "In vitro inhibitory activity against L-Hexonate Dehydrogenase from rat kidney" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Rattus norvegicus" +"quercetin" 3514 "Cytochrome P450 1B1" "Enzyme" "Q16678" "CYP1B1" "CP1B1_HUMAN" 7.11 "IC50" "Inhibition of human CYP1B1 by EROD assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Lymphocyte differentiation antigen CD38" "Tumour-associated antigen" "P28907" "CD38" "CD38_HUMAN" 4.42 "IC50" "Inhibition of human CD38 using 20 uM 1, N6-etheno NAD+ as substrate by continuous fluorimetric method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "C-C chemokine receptor type 4" "GPCR" "P51679" "CCR4" "CCR4_HUMAN" 5 "IC50" "Inhibition of CCL22-stimulated CCR4 in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Xanthine dehydrogenase/oxidase" "Enzyme" "P47989" "XDH" "XDH_HUMAN" 5.58 "IC50" "Inhibition of xanthine oxidase assessed as decrease in uric acid production by spectrophotometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Arachidonate 12-lipoxygenase, 12S-type" "Enzyme" "P18054" "ALOX12" "LOX12_HUMAN" 6.36 "IC50" "Inhibition of 12-hLO" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Serine/threonine-protein kinase pim-1" "Kinase" "P11309" "PIM1" "PIM1_HUMAN" 7.6 "Kd" "Binding affinity to non phosphorylated PIM1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Phosphodiesterase 2A" "Unclassified" "Q01062" "Pde2a" "PDE2A_RAT" 4.09 "IC50" "Inhibition of rat brain particulate cGMP phosphodiesterase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Rattus norvegicus" +"quercetin" 3514 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 4.89 "IC50" "Ability to inhibit protein-tyrosine kinase activity of p56lck (isolated from bovine thymus) in vitro." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Cytosol aminopeptidase" "Unclassified" "P28839" "LAP3" "AMPL_PIG" 4.46 "IC50" "Inhibition of pig kidney cytosolic Leucyl aminopeptidase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Sus scrofa" +"quercetin" 3514 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 5.09 "Ki" "Inhibition of human CA3 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Tyrosine-protein kinase receptor UFO" "Kinase" "P30530" "AXL" "UFO_HUMAN" 6.02 "IC50" "Inhibition of AXL (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Estradiol 17-beta-dehydrogenase 2" "Enzyme" "P37059" "HSD17B2" "DHB2_HUMAN" 5.81 "IC50" "Inhibition of human recombinant 17beta-HSD2 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Arachidonate 15-lipoxygenase" "Enzyme" "P16050" "ALOX15" "LOX15_HUMAN" 5.66 "IC50" "Inhibition of 15-hLO1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "C-X-C chemokine receptor type 1" "GPCR" "P25024" "CXCR1" "CXCR1_HUMAN" 5.35 "IC50" "Inhibition of CX3CL1-stimulated CX3CR1 in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Alcohol dehydrogenase [NADP(+)]" "Enzyme" "P51635" "Akr1a1" "AK1A1_RAT" 5.63 "IC50" "In vitro inhibitory activity against aldehyde reductase 1 (ALR1) from rat kidney." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Rattus norvegicus" +"quercetin" 3514 "Cyclin-dependent kinase 1/cyclin B" "Kinase" "O95067|P06493|P14635|Q8WWL7" "CCNB1|CCNB2|CCNB3|CDK1" "CCNB1_HUMAN|CCNB2_HUMAN|CCNB3_HUMAN|CDK1_HUMAN" 4.12 "IC50" "Inhibition of cyclin-dependent kinase 1/cyclinB" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tbio|Tbio|Tchem|Tchem" "Homo sapiens" +"quercetin" 3514 "Integrase" "Enzyme" "Q7ZJM1" "pol" "Q7ZJM1_9HIV1" 6.22 "IC50" "Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed by addition of Flag-LEDGF/p75 for 1 hr by AlphaScreen assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Human immunodeficiency virus 1" +"quercetin" 3514 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 5.17 "Ki" "Inhibition of human CA5A by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" 5.16 "IC50" "Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "ALK tyrosine kinase receptor" "Kinase" "Q9UM73" "ALK" "ALK_HUMAN" 5.48 "IC50" "Inhibition of ALK (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 5.27 "Ki" "Inhibition of human CA14 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 5.32 "Ki" "Inhibition of human CA7 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Arginase" "Enzyme" "O96394" "O96394_LEIAM" 5.4 "IC50" "Inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate incubated for 10 mins prior to substrate addition measured after 10 mins by colorimetry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Leishmania amazonensis" +"quercetin" 3514 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 5.15 "Ki" "Inhibition of human CA9 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "D-alanine--D-alanine ligase" "Enzyme" "Q1CTD3" "ddl" "DDL_HELPH" 5.37 "Ki" "Competitive inhibition of Helicobacter pylori Ddl using ATP as substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Helicobacter pylori (strain HPAG1)" +"quercetin" 3514 "5'-nucleotidase" "Enzyme" "P21588" "Nt5e" "5NTD_RAT" 7.34 "Ki" "Inhibition of rat ecto-5'-nucleotidase expressed in Sf9 cells by capillary electrophoresis method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Rattus norvegicus" +"quercetin" 3514 "Polyphenol oxidase 2" "Enzyme" "O42713" "PPO2" "PPO2_AGABI" 4.51 "IC50" "Inhibition of mushroom tyrosinase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Agaricus bisporus" +"quercetin" 3514 "Alcohol dehydrogenase [NADP(+)]" "Enzyme" "P50578" "AKR1A1" "AK1A1_PIG" 4.42 "IC50" "Inhibition of pig ALR1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Sus scrofa" +"quercetin" 3514 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5.57 "Ki" "Inhibition of human CA1 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Macrophage metalloelastase" "Enzyme" "P39900" "MMP12" "MMP12_HUMAN" 4.99 "IC50" "Inhibition of human recombinant MMP12 catalytic domain incubated for 20 mins by fluorimetric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Insulin-like growth factor 1 receptor" "Kinase" "P08069" "IGF1R" "IGF1R_HUMAN" 6.52 "IC50" "Inhibition of IGF1R (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Glycogen synthase kinase-3 beta" "Kinase" "P49841" "GSK3B" "GSK3B_HUMAN" 5.7 "IC50" "Inhibition of Homo sapiens (human) recombinant GSK3beta after 30 min by Kinase-Glo assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Glutathione reductase" "Unclassified" "P41921" "GLR1" "GSHR_YEAST" 4.31 "IC50" "In vitro inhibitory activity against glutathione reductase (GR) from bakers yeast" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"quercetin" 3514 "Cholinesterase" "Enzyme" "P06276" "BCHE" "CHLE_HUMAN" 4.17 "Ki" "Inhibition of human plasma BChE by Ellman's method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Enoyl-acyl-carrier protein reductase" "Enzyme" "Q965D5" "fabI" "Q965D5_PLAFA" 7.66 "Ki" "Inhibition of Plasmodium falciparum ENR in presence of triclosan" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Plasmodium falciparum" +"quercetin" 3514 "3-oxoacyl-acyl-carrier protein reductase" "Enzyme" "Q965D6" "fabG" "Q965D6_PLAFA" 5.27 "IC50" "Inhibition of FabG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Plasmodium falciparum" +"quercetin" 3514 "Beta-hydroxyacyl-ACP dehydratase; Fatty acid synthesis protein" "Enzyme" "Q965D7" "fabZ" "Q965D7_PLAFA" 5.82 "IC50" "Inhibition of FabZ" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Plasmodium falciparum" +"quercetin" 3514 "Aurora kinase B" "Kinase" "Q96GD4" "AURKB" "AURKB_HUMAN" 6.04 "IC50" "Inhibition of aurora-B (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 4.92 "Ki" "Inhibition of human CA5B by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Serine/threonine-protein kinase Nek6" "Kinase" "Q9HC98" "NEK6" "NEK6_HUMAN" 5.37 "IC50" "Inhibition of NEK6 (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tbio" "Homo sapiens" +"quercetin" 3514 "Collagenase 3" "Enzyme" "P45452" "MMP13" "MMP13_HUMAN" 5.07 "IC50" "Inhibition of human recombinant MMP13 catalytic domain incubated for 20 mins by fluorimetric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Lactoylglutathione lyase" "Enzyme" "Q04760" "GLO1" "LGUL_HUMAN" 5.49 "IC50" "Inhibition of human recombinant His-tagged Glyoxalase 1 expressed in Sf21-Baculovirus system" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Malate dehydrogenase" "Enzyme" "P10584" "mdh" "MDH_THETH" 5.22 "IC50" "Inhibitory activity against malate dehydrogenase (MDH) from Thermus flavus" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Thermus thermophilus" +"quercetin" 3514 "Serine/threonine-protein kinase Nek2" "Kinase" "P51955" "NEK2" "NEK2_HUMAN" 5.24 "IC50" "Inhibition of NEK2 (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Serine/threonine-protein kinase N1" "Kinase" "Q16512" "PKN1" "PKN1_HUMAN" 5.24 "IC50" "Inhibition of PRK1 (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Nitric oxide synthase, inducible" "Enzyme" "P29477" "Nos2" "NOS2_MOUSE" 4.79 "IC50" "Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW264.7 cells after 24 hrs by Griess reaction analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Mus musculus" +"quercetin" 3514 "Glycogen synthase kinase-3" "Kinase" "P49840|P49841" "GSK3A|GSK3B" "GSK3A_HUMAN|GSK3B_HUMAN" 5.68 "IC50" "Inhibition of glycogen synthase kinase 3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin|Tclin" "Homo sapiens" +"quercetin" 3514 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 5.21 "Ki" "Inhibition of human CA6 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Aldose reductase" "Enzyme" "P15121" "AKR1B1" "ALDR_HUMAN" 7.83 "IC50" "Inhibition of cataracted human eye lens aldose reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform" "Kinase" "P48736" "PIK3CG" "PK3CG_HUMAN" 4.8600001335144 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Glycogen phosphorylase, liver form" "Enzyme" "P06737" "PYGL" "PYGL_HUMAN" 5.32000017166138 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Tyrosine-protein kinase SYK" "Kinase" "P43405" "SYK" "KSYK_HUMAN" 4.69999980926514 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tclin" "Homo sapiens" +"quercetin" 3514 "Death-associated protein kinase 1" "Kinase" "P53355" "DAPK1" "DAPK1_HUMAN" 5.05 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Tchem" "Homo sapiens" +"quercetin" 3514 "Neuraminidase" "Enzyme" "B4URF0" "NA" "B4URF0_9INFA" 5.66 "IC50" "Noncompetitive inhibition of recombinant influenza A virus rvH1N1 A/Bervig_Mission/1/18 neuraminidase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL50" "Influenza A virus (A/WSN/1933(H1N1))" +"rapacuronium" 3520 "Muscle-type nicotinic acetylcholine receptor" "Ion channel" "P02708|P07510|P11230|Q04844|Q07001" "CHRNA1|CHRNB1|CHRND|CHRNE|CHRNG" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN|ACHE_HUMAN|ACHG_HUMAN" "Mechanism of Action; CHEMBL2362997; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200549" "http://www.ncbi.nlm.nih.gov/pubmed/8680742" "ANTAGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"rasagiline" 3521 "Amine oxidase [flavin-containing] A" "Enzyme" "P21396" "Maoa" "AOFA_RAT" 6.39 "IC50" "In vitro inhibitory concentration against Monoamine oxidase A of rat brain homogenates; value ranges from 0.28-0.54" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL887" "Rattus norvegicus" +"rasagiline" 3521 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 5.01 "Ki" "Binding affinity towards monoamine oxidase A activity was measured using a kynuramine assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL887" "Tclin" "Homo sapiens" +"rasagiline" 3521 "Amine oxidase [flavin-containing] B" "Enzyme" "P19643" "Maob" "AOFB_RAT" 8.36 "IC50" "In vitro inhibitory concentration against Monoamine oxidase B of rat brain homogenates; value ranges from 0.0035-0.053" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL887" "Rattus norvegicus" +"rasagiline" 3521 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 6.15 "Ki" "Binding affinity towards monoamine oxidase B activity was measured using a benzylamine assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL887" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL887" "INHIBITOR" "Tclin" "Homo sapiens" +"resorcinol" 3524 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 4.97 "Ki" "Inhibition of human carbonic anhydrase 14 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24147" "Tclin" "Homo sapiens" +"resorcinol" 3524 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 5.06 "Ki" "Inhibition of human carbonic anhydrase 5A by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24147" "Tclin" "Homo sapiens" +"resorcinol" 3524 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 4.2 "Ki" "Inhibition of mouse carbonic anhydrase 13 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24147" "Mus musculus" +"resorcinol" 3524 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 4.16 "Ki" "Inhibition of human carbonic anhydrase 9 catalytic domain by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24147" "Tclin" "Homo sapiens" +"resorcinol" 3524 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.12 "Ki" "Inhibition of human carbonic anhydrase 12 catalytic domain by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24147" "Tclin" "Homo sapiens" +"resorcinol" 3524 "Carbonic anhydrase" "Unclassified" "Q2PCB5" "ca" "Q2PCB5_DICLA" 5.19 "Ki" "Inhibition of Dicentrarchus labrax CA using 4-nitrophenylacetate substrate by esterase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24147" "Dicentrarchus labrax" +"resorcinol" 3524 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 5.15 "Ki" "Inhibition of human carbonic anhydrase 5B by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24147" "Tclin" "Homo sapiens" +"resorcinol" 3524 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 4.06 "Kd" "Binding affinity to COX1 in sheep seminal vesicle" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24147" "Ovis aries" +"resorcinol" 3524 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.11 "Ki" "Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24147" "Tclin" "Homo sapiens" +"revaprazan" 3525 "Potassium-transporting ATPase" "Transporter" "P20648|P51164" "ATP4A|ATP4B" "ATP4A_HUMAN|ATP4B_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/14681344" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"rioprostil" 3529 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "P43116" "PTGER2" "PE2R2_HUMAN" "Mechanism of Action" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D05732" "http://www.kegg.jp/entry/D05732" "AGONIST" "Tclin" "Homo sapiens" +"roflumilast" 3531 "Phosphodiesterase 4" "Enzyme" "P27815|Q07343|Q08493|Q08499" "PDE4A|PDE4B|PDE4C|PDE4D" "PDE4A_HUMAN|PDE4B_HUMAN|PDE4C_HUMAN|PDE4D_HUMAN" 9.1 "IC50" "Inhibition of human phosphodiesterase 4" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193240" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193240" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"roflumilast" 3531 "cAMP-specific 3',5'-cyclic phosphodiesterase 4D" "Enzyme" "Q08499" "PDE4D" "PDE4D_HUMAN" 9.57 "IC50" "Inhibition of human PDE4D3 assessed as inhibition of [3H]cAMP hydrolysis to [3H]AMP after 15 mins by scintillation proximity assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193240" "Tclin" "Homo sapiens" +"roflumilast" 3531 "cAMP-specific 3',5'-cyclic phosphodiesterase 4A" "Enzyme" "P27815" "PDE4A" "PDE4A_HUMAN" 9.46 "IC50" "Inhibition of human full length PDE4A4 expressed in baculovirus infected sf21 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193240" "Tclin" "Homo sapiens" +"roflumilast" 3531 "cAMP-specific 3',5'-cyclic phosphodiesterase 4B" "Enzyme" "Q07343" "PDE4B" "PDE4B_HUMAN" 9.4 "IC50" "Inhibition of human recombinant PDE4B by scintillation proximity assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193240" "Tclin" "Homo sapiens" +"ruboxistaurin" 3533 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 6.89 "Kd" "Binding constant for FLT3(D835Y) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tclin" "Homo sapiens" +"ruboxistaurin" 3533 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.29 "Kd" "Binding constant for EGFR(E746-A750del) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tclin" "Homo sapiens" +"ruboxistaurin" 3533 "Protein kinase C theta type" "Kinase" "Q04759" "PRKCQ" "KPCT_HUMAN" 8.6 "Kd" "Binding constant for PRKCQ kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "SRSF protein kinase 1" "Kinase" "Q96SB4" "SRPK1" "SRPK1_HUMAN" 5.92 "Kd" "Binding constant for SRPK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Serine/threonine-protein kinase RIO3" "Kinase" "O14730" "RIOK3" "RIOK3_HUMAN" 6.19 "Kd" "Binding constant for RIOK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Ribosomal protein S6 kinase alpha-6" "Kinase" "Q9UK32" "RPS6KA6" "KS6A6_HUMAN" 5.64 "Kd" "Binding constant for RPS6KA6(Kin.Dom.1 - C-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Ribosomal protein S6 kinase alpha-1" "Kinase" "Q15418" "RPS6KA1" "KS6A1_HUMAN" 6.4 "Kd" "Binding constant for RPS6KA1(Kin.Dom.1 - N-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Cyclin-G-associated kinase" "Kinase" "O14976" "GAK" "GAK_HUMAN" 5.96 "Kd" "Binding constant for GAK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Dual specificity mitogen-activated protein kinase kinase 5" "Kinase" "Q13163" "MAP2K5" "MP2K5_HUMAN" 5.96 "Kd" "Binding constant for MEK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Homeodomain-interacting protein kinase 3" "Kinase" "Q9H422" "HIPK3" "HIPK3_HUMAN" 7.11 "Kd" "Binding constant for HIPK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tbio" "Homo sapiens" +"ruboxistaurin" 3533 "Cyclin-dependent kinase-like 5" "Kinase" "O76039" "CDKL5" "CDKL5_HUMAN" 5.39 "Kd" "Binding constant for CDKL5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Homeodomain-interacting protein kinase 2" "Kinase" "Q9H2X6" "HIPK2" "HIPK2_HUMAN" 6.85 "Kd" "Binding constant for HIPK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Serine/threonine-protein kinase pim-3" "Kinase" "Q86V86" "PIM3" "PIM3_HUMAN" 7.92 "Kd" "Binding constant for PIM3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "NUAK family SNF1-like kinase 1" "Kinase" "O60285" "NUAK1" "NUAK1_HUMAN" 5.74 "Kd" "Binding constant for ARK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Protein kinase C iota type" "Kinase" "P41743" "PRKCI" "KPCI_HUMAN" 5.85 "Kd" "Binding constant for PRKCI kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tbio" "Homo sapiens" +"ruboxistaurin" 3533 "Serine/threonine-protein kinase TBK1" "Kinase" "Q9UHD2" "TBK1" "TBK1_HUMAN" 6.01 "Kd" "Binding constant for TBK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Serine/threonine-protein kinase ICK" "Kinase" "Q9UPZ9" "ICK" "ICK_HUMAN" 6.62 "Kd" "Binding constant for ICK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Mitogen-activated protein kinase kinase kinase kinase 1" "Kinase" "Q92918" "MAP4K1" "M4K1_HUMAN" 5.59 "Kd" "Binding constant for MAP4K1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "cAMP-dependent protein kinase catalytic subunit alpha" "Kinase" "P17612" "PRKACA" "KAPCA_HUMAN" 5.27 "Kd" "Binding constant for PKAC-alpha kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Mitogen-activated protein kinase 15" "Kinase" "Q8TD08" "MAPK15" "MK15_HUMAN" 7.06 "Kd" "Binding constant for ERK8 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "MAP kinase-interacting serine/threonine-protein kinase 1" "Kinase" "Q9BUB5" "MKNK1" "MKNK1_HUMAN" 5.15 "Kd" "Binding constant for MKNK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Serine/threonine-protein kinase Sgk3" "Kinase" "Q96BR1" "SGK3" "SGK3_HUMAN" 5.85 "Kd" "Binding constant for SGK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tbio" "Homo sapiens" +"ruboxistaurin" 3533 "Protein kinase C gamma type" "Kinase" "P05129" "PRKCG" "KPCG_HUMAN" 6.52 "IC50" "Inhibition of Protein kinase C gamma" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Dual specificity protein kinase CLK2" "Kinase" "P49760" "CLK2" "CLK2_HUMAN" 6.38 "Kd" "Binding constant for CLK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "G protein-coupled receptor kinase 7" "Kinase" "Q8WTQ7" "GRK7" "GRK7_HUMAN" 6.51 "Kd" "Binding constant for GRK7 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Homeodomain-interacting protein kinase 1" "Kinase" "Q86Z02" "HIPK1" "HIPK1_HUMAN" 6.64 "Kd" "Binding constant for HIPK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tbio" "Homo sapiens" +"ruboxistaurin" 3533 "Dual specificity protein kinase CLK1" "Kinase" "P49759" "CLK1" "CLK1_HUMAN" 6.04 "Kd" "Binding constant for full-length CLK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 6.55 "Kd" "Binding constant for LOK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Calcium/calmodulin-dependent protein kinase type II subunit gamma" "Kinase" "Q13555" "CAMK2G" "KCC2G_HUMAN" 5.11 "Kd" "Binding constant for CAMK2G kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Serine/threonine-protein kinase PLK4" "Kinase" "O00444" "PLK4" "PLK4_HUMAN" 6.43 "Kd" "Average Binding Constant for STK18; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "AP2-associated protein kinase 1" "Kinase" "Q2M2I8" "AAK1" "AAK1_HUMAN" 6.05 "Kd" "Binding constant for AAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Serine/threonine-protein kinase MARK2" "Kinase" "Q7KZI7" "MARK2" "MARK2_HUMAN" 5.64 "Kd" "Average Binding Constant for MARK2; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Protein kinase C epsilon type" "Kinase" "Q02156" "PRKCE" "KPCE_HUMAN" 7.96 "Kd" "Binding constant for PRKCE kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 6.38 "Kd" "Binding constant for JAK3(Kin.Dom.2/JH1 - catalytic) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tclin" "Homo sapiens" +"ruboxistaurin" 3533 "Casein kinase II subunit alpha'" "Kinase" "P19784" "CSNK2A2" "CSK22_HUMAN" 5.47 "Kd" "Binding constant for full-length CSNK2A2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Ribosomal protein S6 kinase alpha-5" "Kinase" "O75582" "RPS6KA5" "KS6A5_HUMAN" 5.89 "Kd" "Binding constant for RPS6KA5(Kin.Dom.1 - C-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Serine/threonine-protein kinase pim-1" "Kinase" "P11309" "PIM1" "PIM1_HUMAN" 7.3 "Kd" "Competitive binding affinity to PIM1 in presence of ATP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Serine/threonine-protein kinase N2" "Kinase" "Q16513" "PKN2" "PKN2_HUMAN" 5.82 "Kd" "Binding constant for PKN2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Serine/threonine-protein kinase TAO1" "Kinase" "Q7L7X3" "TAOK1" "TAOK1_HUMAN" 5.74 "Kd" "Binding constant for TAOK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tbio" "Homo sapiens" +"ruboxistaurin" 3533 "Tyrosine-protein kinase HCK" "Kinase" "P08631" "HCK" "HCK_HUMAN" 5.55 "Kd" "Average Binding Constant for HCK; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tclin" "Homo sapiens" +"ruboxistaurin" 3533 "Aurora kinase C" "Kinase" "Q9UQB9" "AURKC" "AURKC_HUMAN" 5.52 "Kd" "Average Binding Constant for Aurora3; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 5.15 "Kd" "Average Binding Constant for PDGFRB; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tclin" "Homo sapiens" +"ruboxistaurin" 3533 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 5.29 "Kd" "Average Binding Constant for FGFR1; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tclin" "Homo sapiens" +"ruboxistaurin" 3533 "Citron Rho-interacting kinase" "Kinase" "O14578" "CIT" "CTRO_HUMAN" 5.85 "Kd" "Binding constant for CIT kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tbio" "Homo sapiens" +"ruboxistaurin" 3533 "Ribosomal protein S6 kinase alpha-3" "Kinase" "P51812" "RPS6KA3" "KS6A3_HUMAN" 5.66 "Kd" "Average Binding Constant for RPS6KA3 (Kin.Dom. 1); NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Myosin light chain kinase, smooth muscle" "Kinase" "Q15746" "MYLK" "MYLK_HUMAN" 6.54 "Kd" "Binding constant for MYLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Mitogen-activated protein kinase kinase kinase kinase 5" "Kinase" "Q9Y4K4" "MAP4K5" "M4K5_HUMAN" 5.08 "Kd" "Average Binding Constant for MAP4K5; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Misshapen-like kinase 1" "Kinase" "Q8N4C8" "MINK1" "MINK1_HUMAN" 6.51 "Kd" "Binding constant for MINK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Leucine-rich repeat serine/threonine-protein kinase 2" "Kinase" "Q5S007" "LRRK2" "LRRK2_HUMAN" 5.01 "Kd" "Binding constant for LRRK2(G2019S) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 6.42 "Kd" "Average Binding Constant for KIT; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tclin" "Homo sapiens" +"ruboxistaurin" 3533 "BMP-2-inducible protein kinase" "Kinase" "Q9NSY1" "BMP2K" "BMP2K_HUMAN" 6.37 "Kd" "Binding constant for BIKE kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Serine/threonine-protein kinase pim-2" "Kinase" "Q9P1W9" "PIM2" "PIM2_HUMAN" 6.89 "Kd" "Average Binding Constant for PIM2; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "TRAF2 and NCK-interacting protein kinase" "Kinase" "Q9UKE5" "TNIK" "TNIK_HUMAN" 5.24 "Kd" "Average Binding Constant for TNIK; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Calcium/calmodulin-dependent protein kinase kinase 2" "Kinase" "Q96RR4" "CAMKK2" "KKCC2_HUMAN" 5.96 "Kd" "Average Binding Constant for CAMKK2; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Ribosomal protein S6 kinase alpha-4" "Kinase" "O75676" "RPS6KA4" "KS6A4_HUMAN" 5.21 "Kd" "Binding constant for RPS6KA4(Kin.Dom.1 - C-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "STE20-like serine/threonine-protein kinase" "Kinase" "Q9H2G2" "SLK" "SLK_HUMAN" 6.4 "Kd" "Binding constant for SLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Dual specificity protein kinase CLK4" "Kinase" "Q9HAZ1" "CLK4" "CLK4_HUMAN" 5.72 "Kd" "Binding constant for CLK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Death-associated protein kinase 2" "Kinase" "Q9UIK4" "DAPK2" "DAPK2_HUMAN" 5.59 "Kd" "Average Binding Constant for DAPK2; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Serine/threonine-protein kinase 3" "Kinase" "Q9JI10" "Stk3" "STK3_MOUSE" 7.05 "Kd" "Average Binding Constant for STK3_m; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Mus musculus" +"ruboxistaurin" 3533 "Serine/threonine-protein kinase 4" "Kinase" "Q13043" "STK4" "STK4_HUMAN" 6.66 "Kd" "Average Binding Constant for STK4; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Calcium/calmodulin-dependent protein kinase kinase 1" "Kinase" "Q8N5S9" "CAMKK1" "KKCC1_HUMAN" 5.82 "Kd" "Average Binding Constant for CAMKK1; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Serine/threonine-protein kinase 3" "Kinase" "Q13188" "STK3" "STK3_HUMAN" 6.02 "Kd" "Binding constant for MST2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Calcium/calmodulin-dependent protein kinase type 1D" "Kinase" "Q8IU85" "CAMK1D" "KCC1D_HUMAN" 5.59 "Kd" "Average Binding Constant for CAMK1D; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Serine/threonine-protein kinase TAO2" "Kinase" "Q9UL54" "TAOK2" "TAOK2_HUMAN" 5.41 "Kd" "Binding constant for TAOK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tbio" "Homo sapiens" +"ruboxistaurin" 3533 "Ribosomal protein S6 kinase alpha-2" "Kinase" "Q15349" "RPS6KA2" "KS6A2_HUMAN" 6.55 "Kd" "Binding constant for RPS6KA2(Kin.Dom.1 - N-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform" "Kinase" "Q16816" "PHKG1" "PHKG1_HUMAN" 5.57 "Kd" "Average Binding Constant for PHkg1; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Mitogen-activated protein kinase kinase kinase kinase 3" "Kinase" "Q8IVH8" "MAP4K3" "M4K3_HUMAN" 5.08 "Kd" "Binding constant for MAP4K3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Cyclin-dependent kinase 16" "Kinase" "Q00536" "CDK16" "CDK16_HUMAN" 5.59 "Kd" "Binding constant for PCTK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Casein kinase II subunit alpha" "Kinase" "P68400" "CSNK2A1" "CSK21_HUMAN" 5.44 "Kd" "Binding constant for full-length CSNK2A1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "RAC-gamma serine/threonine-protein kinase" "Kinase" "Q9Y243" "AKT3" "AKT3_HUMAN" 5.85 "Kd" "Binding constant for AKT3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "RAC-beta serine/threonine-protein kinase" "Kinase" "P31751" "AKT2" "AKT2_HUMAN" 5.06 "Kd" "Binding constant for AKT2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Serine/threonine-protein kinase STK11" "Kinase" "Q15831" "STK11" "STK11_HUMAN" 5.23 "Kd" "Binding constant for LKB1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Rhodopsin kinase" "Kinase" "Q15835" "GRK1" "RK_HUMAN" 6.1 "Kd" "Binding constant for GRK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "CaM kinase II" "Kinase" "Q13554|Q13555|Q13557|Q9UQM7" "CAMK2A|CAMK2B|CAMK2D|CAMK2G" "KCC2A_HUMAN|KCC2B_HUMAN|KCC2D_HUMAN|KCC2G_HUMAN" 5.21 "IC50" "Inhibition of purified mammalian brain [Ca(2+)]/Calmodulin dependent kinase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem|Tchem|Tchem|Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Calcium/calmodulin-dependent protein kinase type II subunit alpha" "Kinase" "Q9UQM7" "CAMK2A" "KCC2A_HUMAN" 5.35 "Kd" "Binding constant for CAMK2A kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "G protein-coupled receptor kinase 4" "Kinase" "P32298" "GRK4" "GRK4_HUMAN" 6.23 "Kd" "Binding constant for GRK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Mitogen-activated protein kinase kinase kinase 2" "Kinase" "Q9Y2U5" "MAP3K2" "M3K2_HUMAN" 6.15 "Kd" "Binding constant for MAP3K2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Serine/threonine-protein kinase LATS2" "Kinase" "Q9NRM7" "LATS2" "LATS2_HUMAN" 6.19 "Kd" "Binding constant for LATS2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Dual specificity tyrosine-phosphorylation-regulated kinase 1B" "Kinase" "Q9Y463" "DYRK1B" "DYR1B_HUMAN" 5.27 "Kd" "Binding constant for full-length DYRK1B" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Serine/threonine-protein kinase PRP4 homolog" "Kinase" "Q13523" "PRPF4B" "PRP4B_HUMAN" 5.8 "Kd" "Binding constant for PRP4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma" "Kinase" "O60331" "PIP5K1C" "PI51C_HUMAN" 6.29 "Kd" "Binding constant for PIP5K1C kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tbio" "Homo sapiens" +"ruboxistaurin" 3533 "Proto-oncogene tyrosine-protein kinase ROS" "Kinase" "P08922" "ROS1" "ROS1_HUMAN" 5.24 "Kd" "Binding constant for ROS1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tclin" "Homo sapiens" +"ruboxistaurin" 3533 "Serine/threonine-protein kinase TAO3" "Kinase" "Q9H2K8" "TAOK3" "TAOK3_HUMAN" 7.01 "Kd" "Binding constant for TAOK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tbio" "Homo sapiens" +"ruboxistaurin" 3533 "Cyclin-dependent kinase 7" "Kinase" "P50613" "CDK7" "CDK7_HUMAN" 5.77 "Kd" "Binding constant for CDK7 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Death-associated protein kinase 1" "Kinase" "P53355" "DAPK1" "DAPK1_HUMAN" 6.01 "Kd" "Binding constant for DAPK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Protein kinase C delta type" "Kinase" "Q05655" "PRKCD" "KPCD_HUMAN" 8.44 "Kd" "Binding constant for PRKCD kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tclin" "Homo sapiens" +"ruboxistaurin" 3533 "Death-associated protein kinase 3" "Kinase" "O43293" "DAPK3" "DAPK3_HUMAN" 5.89 "Kd" "Average Binding Constant for DAPK3; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Dual specificity tyrosine-phosphorylation-regulated kinase 1A" "Kinase" "Q13627" "DYRK1A" "DYR1A_HUMAN" 6.6 "Kd" "Binding constant for DYRK1A kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Myotonin-protein kinase" "Kinase" "Q09013" "DMPK" "DMPK_HUMAN" 6.55 "Kd" "Binding constant for DMPK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Serine/threonine-protein kinase LATS1" "Kinase" "O95835" "LATS1" "LATS1_HUMAN" 5.59 "Kd" "Binding constant for LATS1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tbio" "Homo sapiens" +"ruboxistaurin" 3533 "Protein kinase C (PKC)" "Kinase" "P05696|P09215|P09216|P09217|P63319|P68403|Q64617|Q9WTQ0" "Prkca|Prkcb|Prkcd|Prkce|Prkcg|Prkch|Prkcq|Prkcz" "KPCA_RAT|KPCB_RAT|KPCD_RAT|KPCE_RAT|KPCG_RAT|KPCL_RAT|KPCT_RAT|KPCZ_RAT" 6.49 "IC50" "Inhibition of purified rat brain protein kinase C (RB-PKC)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Rattus norvegicus" +"ruboxistaurin" 3533 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 5.89 "Kd" "Average Binding Constant for LCK; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tclin" "Homo sapiens" +"ruboxistaurin" 3533 "Mitogen-activated protein kinase kinase kinase 9" "Kinase" "P80192" "MAP3K9" "M3K9_HUMAN" 5.85 "Kd" "Binding constant for MLK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Mitogen-activated protein kinase kinase kinase 19" "Kinase" "Q56UN5" "MAP3K19" "M3K19_HUMAN" 7.32 "Kd" "Binding constant for YSK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Phosphatidylinositol 5-phosphate 4-kinase type-2 beta" "Kinase" "P78356" "PIP4K2B" "PI42B_HUMAN" 6.08 "Kd" "Binding constant for full-length PIP5K2B" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "3-phosphoinositide-dependent protein kinase 1" "Kinase" "O15530" "PDPK1" "PDPK1_HUMAN" 6.15 "Kd" "Binding constant for full-length PDPK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Serine/threonine-protein kinase D2" "Kinase" "Q9BZL6" "PRKD2" "KPCD2_HUMAN" 6.05 "Kd" "Binding constant for PRKD2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "NUAK family SNF1-like kinase 2" "Kinase" "Q9H093" "NUAK2" "NUAK2_HUMAN" 6.49 "Kd" "Binding constant for SNARK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "SRSF protein kinase 2" "Kinase" "P78362" "SRPK2" "SRPK2_HUMAN" 5.96 "Kd" "Binding constant for SRPK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tbio" "Homo sapiens" +"ruboxistaurin" 3533 "Dual specificity mitogen-activated protein kinase kinase 4" "Kinase" "P45985" "MAP2K4" "MP2K4_HUMAN" 6.03 "Kd" "Binding constant for MEK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Serine/threonine-protein kinase tousled-like 1" "Kinase" "Q9UKI8" "TLK1" "TLK1_HUMAN" 5.68 "Kd" "Binding constant for TLK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "SRSF protein kinase 3" "Kinase" "Q9UPE1" "SRPK3" "SRPK3_HUMAN" 5.8 "Kd" "Binding constant for SRPK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Dual specificity mitogen-activated protein kinase kinase 6" "Kinase" "P52564" "MAP2K6" "MP2K6_HUMAN" 5.41 "Kd" "Binding constant for MEK6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Phosphatidylinositol 4-phosphate 5-kinase type-1 alpha" "Kinase" "Q99755" "PIP5K1A" "PI51A_HUMAN" 6.16 "Kd" "Binding constant for full-length PIP5K1A" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tbio" "Homo sapiens" +"ruboxistaurin" 3533 "Mitogen-activated protein kinase kinase kinase 3" "Kinase" "Q99759" "MAP3K3" "M3K3_HUMAN" 6.77 "Kd" "Binding constant for MAP3K3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Serine/threonine-protein kinase RIO1" "Kinase" "Q9BRS2" "RIOK1" "RIOK1_HUMAN" 6.09 "Kd" "Binding constant for full-length RIOK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Cyclin-dependent kinase 4" "Kinase" "P11802" "CDK4" "CDK4_HUMAN" 6.55 "Kd" "Binding constant for CDK4-cyclinD1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tclin" "Homo sapiens" +"ruboxistaurin" 3533 "Ribosomal protein S6 kinase beta-1" "Kinase" "P23443" "RPS6KB1" "KS6B1_HUMAN" 6.68 "Kd" "Binding constant for S6K1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Serine/threonine-protein kinase Chk2" "Kinase" "O96017" "CHEK2" "CHK2_HUMAN" 5.43 "Kd" "Binding constant for CHEK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Serine/threonine-protein kinase 33" "Kinase" "Q9BYT3" "STK33" "STK33_HUMAN" 5.59 "Kd" "Binding constant for STK33 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Glycogen synthase kinase-3 beta" "Kinase" "P49841" "GSK3B" "GSK3B_HUMAN" 5.59 "Kd" "Binding constant for full-length GSK3B" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tclin" "Homo sapiens" +"ruboxistaurin" 3533 "Calcium/calmodulin-dependent protein kinase type II subunit delta" "Kinase" "Q13557" "CAMK2D" "KCC2D_HUMAN" 5.34 "Kd" "Binding constant for CAMK2D kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Serine/threonine-protein kinase Chk1" "Kinase" "O14757" "CHEK1" "CHK1_HUMAN" 6.27 "Kd" "Binding constant for CHEK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "cGMP-dependent protein kinase 2" "Kinase" "Q13237" "PRKG2" "KGP2_HUMAN" 5.51 "Kd" "Binding constant for PRKG2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "cAMP-dependent protein kinase catalytic subunit beta" "Kinase" "P22694" "PRKACB" "KAPCB_HUMAN" 5.49 "Kd" "Binding constant for full-length PKAC-beta" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Protein kinase C eta type" "Kinase" "P24723" "PRKCH" "KPCL_HUMAN" 5.74 "Kd" "Binding constant for PRKCH kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Serine/threonine-protein kinase N1" "Kinase" "Q16512" "PKN1" "PKN1_HUMAN" 6.46 "Kd" "Binding constant for PKN1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Mitogen-activated protein kinase kinase kinase kinase 2" "Kinase" "Q12851" "MAP4K2" "M4K2_HUMAN" 6.54 "Kd" "Binding constant for MAP4K2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"ruboxistaurin" 3533 "Protein kinase C beta type" "Kinase" "P05771" "PRKCB" "KPCB_HUMAN" 8.33 "IC50" "Inhibition of Protein kinase C beta 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Homo sapiens" +"ruboxistaurin" 3533 "Protein kinase C alpha type" "Kinase" "P17252" "PRKCA" "KPCA_HUMAN" 6.44 "IC50" "Inhibition of Protein kinase C alpha" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL91829" "Tchem" "Homo sapiens" +"rufinamide" 3534 "Sodium channel alpha subunit" "Ion channel" "P35498|P35499|Q01118|Q14524|Q15858|Q99250|Q9NY46|Q9UI33|Q9UQD0|Q9Y5Y9" "SCN10A|SCN11A|SCN1A|SCN2A|SCN3A|SCN4A|SCN5A|SCN7A|SCN8A|SCN9A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN|SCN4A_HUMAN|SCN5A_HUMAN|SCN7A_HUMAN|SCN8A_HUMAN|SCN9A_HUMAN|SCNAA_HUMAN|SCNBA_HUMAN" "Mechanism of Action; CHEMBL2331043; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201754" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201754" "BLOCKER" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"rutoside" 3535 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.45432185 "Ki" "PDSP" "Tclin" "Homo sapiens" +"rutoside" 3535 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.03 "Ki" "Binding affinity to adrenergic alpha2A receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL226335" "Tclin" "Homo sapiens" +"rutoside" 3535 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 7.92 "IC50" "Inhibition of AChE (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL226335" "Tclin" "Homo sapiens" +"rutoside" 3535 "Xanthine dehydrogenase/oxidase" "Enzyme" "P47989" "XDH" "XDH_HUMAN" 4.28 "IC50" "Inhibition of xanthine oxidase assessed as decrease in uric acid production by spectrophotometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL226335" "Tclin" "Homo sapiens" +"rutoside" 3535 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 5.02 "Ki" "Binding affinity to adrenergic alpha2c receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL226335" "Tclin" "Homo sapiens" +"rutoside" 3535 "Serum albumin" "Secreted" "P02769" "ALB" "ALBU_BOVIN" 4.38 "IC50" "Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of glucose anhydrous" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL226335" "Bos taurus" +"rutoside" 3535 "Bifunctional epoxide hydrolase 2" "Enzyme" "P34913" "EPHX2" "HYES_HUMAN" 4.61 "IC50" "Inhibition of sEH (unknown origin) assessed as substrate PHOME hydrolysis after 1 hr by fluorescence method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL226335" "Tchem" "Homo sapiens" +"rutoside" 3535 "Sialidase" "Enzyme" "P10481" "nanH" "NANH_CLOPF" 4.51 "IC50" "Inhibition of Clostridium perfringens neuraminidase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL226335" "Clostridium perfringens" +"rutoside" 3535 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 4.89 "IC50" "Inhibition of aldose reductase in rat lens homogenates by fluorophotometer" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL226335" "Rattus norvegicus" +"rutoside" 3535 "Neuromedin-U receptor 2" "GPCR" "Q9GZQ4" "NMUR2" "NMUR2_HUMAN" 5.92000007629395 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL226335" "Tchem" "Homo sapiens" +"rutoside" 3535 "Neuraminidase" "Unclassified" "P03469" "NA" "NRAM_I77AB" 4.02 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL226335" "Influenza A virus (strain A/USSR/90/1977 H1N1)" +"rutoside" 3535 "Neuraminidase" "Enzyme" "B4URF0" "NA" "B4URF0_9INFA" 4.47 "Ki" "Noncompetitive inhibition of recombinant influenza A virus rvH1N1 A/Bervig_Mission/1/18 neuraminidase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL226335" "Influenza A virus (A/WSN/1933(H1N1))" +"sabcomeline" 3536 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.1 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=306" "AGONIST" "Tclin" "Homo sapiens" +"sabcomeline" 3536 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.22 "IC50" "In vitro affinity is evaluated, using quinuclidynyl benzylate (QNB) as radioligand in human cloned Muscarinic acetylcholine receptor M3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL134641" "Tclin" "Homo sapiens" +"sabcomeline" 3536 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.24 "EC50" "Partial agonist activity at human M4 receptor co-expressed with Galpha16 in CHO cells assessed as calcium mobilization after 60 mins by FLIPR assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL134641" "Tclin" "Homo sapiens" +"sabcomeline" 3536 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.74 "IC50" "In vitro affinity is evaluated, using quinuclidynyl benzylate (QNB) as radioligand in human cloned Muscarinic acetylcholine receptor M2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL134641" "Tclin" "Homo sapiens" +"sabcomeline" 3536 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm2|Chrm3|Chrm4|Chrm5" "ACM1_RAT|ACM2_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT" 7.85 "IC50" "In vitro affinity evaluated using [3H]- oxotremorine as radioligand in rat cerebral cortex for muscarinic acetylcholine receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL134641" "Rattus norvegicus" +"sabcomeline" 3536 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.77 "IC50" "In vitro affinity against human Muscarinic acetylcholine receptor M1 using quinuclidynyl benzylate (QNB)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL134641" "Tclin" "Homo sapiens" +"saralasin" 3542 "Type-1 angiotensin II receptor" "GPCR" "P30556" "AGTR1" "AGTR1_HUMAN" 9.77 "Ki" "Binding affinity to human AT1 receptor by radioligand displacement assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL938" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL938" "ANTAGONIST" "Tclin" "Homo sapiens" +"saralasin" 3542 "Type-1B angiotensin II receptor" "GPCR" "P29089" "Agtr1b" "AGTRB_RAT" 8.62 "IC50" "Binding affinity for Angiotensin II receptor, type 1 measured by ability to displace [125I]- A II from its specific binding site in rat liver membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL938" "Rattus norvegicus" +"saralasin" 3542 "Type-2 angiotensin II receptor" "GPCR" "P50052" "AGTR2" "AGTR2_HUMAN" 9.82 "Ki" "Displacement of radiolabeled saralasin from human AT2 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL938" "Tchem" "Homo sapiens" +"saralasin" 3542 "Angiotensin II receptor (AT-1) type-1" "GPCR" "P25095|P29089" "Agtr1|Agtr1b" "AGTRA_RAT|AGTRB_RAT" 8.77 "IC50" "In vitro binding affinity to the angiotensin II receptor, type 1 in rat liver" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL938" "Rattus norvegicus" +"saralasin" 3542 "Type-2 angiotensin II receptor" "GPCR" "P35351" "Agtr2" "AGTR2_RAT" 9 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=598" "ANTAGONIST" "Rattus norvegicus" +"sitaxentan" 3548 "Endothelin-1 receptor" "GPCR" "P26684" "Ednra" "EDNRA_RAT" 9.37 "Ki" "Binding affinity towards Endothelin A receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL282724" "ANTAGONIST" "Rattus norvegicus" +"sitaxentan" 3548 "Endothelin-1 receptor" "GPCR" "P25101" "EDNRA" "EDNRA_HUMAN" 9.37 "Ki" "Binding affinity against human Endothelin A receptor" "CHEMBL" "=" 1 "IUPHAR" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL282724" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3950" "ANTAGONIST" "Tclin" "Homo sapiens" +"sitaxentan" 3548 "Endothelin B receptor" "GPCR" "P24530" "EDNRB" "EDNRB_HUMAN" 5.01 "IC50" "In vitro inhibition of endothelin binding to human Endothelin B receptor using [125I]-labeled ET-1 competition assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL282724" "ANTAGONIST" "Tclin" "Homo sapiens" +"stallimycin" 3553 "DNA topoisomerase 1" "Enzyme" "P11387" "TOP1" "TOP1_HUMAN" 5.57 "IC50" "Inhibit supercoil relaxation property of topoisomerase I." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11252" "Tclin" "Homo sapiens" +"stallimycin" 3553 "Estrogen receptor" "Nuclear hormone receptor" "P03372|Q92731" "ESR1|ESR2" "ESR1_HUMAN|ESR2_HUMAN" 7.7 "IC50" "Tested for 50% inhibition of generation of Human estrogen receptor polymerase chain reaction(PCR) products" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11252" "Tclin|Tclin" "Homo sapiens" +"stallimycin" 3553 "GTPase HRas" "Cytosolic other" "P01112" "HRAS" "RASH_HUMAN" 6.7 "IC50" "Tested for 50% inhibition of generation of Human Ha-ras polymerase chain reaction(PCR) products" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11252" "Tchem" "Homo sapiens" +"sulbentine" 3557 "Delta-type opioid receptor" "GPCR" "P33533" "Oprd1" "OPRD_RAT" 4.54 "IC50" "In vitro inhibition of [3H]- [p-Cl-Phe4]DPDPE binding to Opioid receptor delta 1 using rat brain membranes." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL151803" "Rattus norvegicus" +"sulbentine" 3557 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 4.55 "IC50" "In vitro inhibition of [3H]DAMGO (Tyr-D-Ala-Gly-(Me)-Phe-Gly-ol) binding to Opioid receptor mu 1 using rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL151803" "Rattus norvegicus" +"sulmazole" 3574 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "O76074" "PDE5A" "PDE5A_HUMAN" 4.68 "IC50" "In vitro inhibition of PDE-V isolated from porcine pulmonary artery." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL286020" "Tclin" "Homo sapiens" +"sulmazole" 3574 "Phosphodiesterase 3" "Enzyme" "Q13370|Q14432" "PDE3A|PDE3B" "PDE3A_HUMAN|PDE3B_HUMAN" 4.3 "IC50" "Concentration of compound required for 50% inhibition of type III cAMP phosphodiesterase from dog ventricles, activity expressed as pIC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL286020" "Tclin|Tclin" "Homo sapiens" +"oxedrine" 3577 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 4.2 "Ki" "Displacement of [3H]8-OH-DPAT from 5HT1A receptor by vacuum filtration" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL33720" "Tclin" "Homo sapiens" +"oxedrine" 3577 "Neuromedin-U receptor 2" "GPCR" "Q9GZQ4" "NMUR2" "NMUR2_HUMAN" 5.17999982833862 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL33720" "Tchem" "Homo sapiens" +"tafenoquine" 3578 "Plasmodium vivax" "Bacteria" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210795s000lbl.pdf" "INHIBITOR" +"talastine" 3579 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/13499132" "ANTAGONIST" "Tclin" "Homo sapiens" +"tamibarotene" 3580 "Retinoic acid receptor alpha" "Nuclear hormone receptor" "P10276" "RARA" "RARA_HUMAN" 7.11 "IC50" "Binding affinity for Retinoic Acid Receptor alpha (RAR alpha)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL25202" "Tclin" "Homo sapiens" +"tamibarotene" 3580 "Retinoic acid receptor beta" "Nuclear hormone receptor" "P10826" "RARB" "RARB_HUMAN" 6.63 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2648" "AGONIST" "Tclin" "Homo sapiens" +"tamibarotene" 3580 "Retinoic acid receptor gamma" "Nuclear hormone receptor" "P13631" "RARG" "RARG_HUMAN" 6.23 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2648" "AGONIST" "Tclin" "Homo sapiens" +"terazosin" 3584 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 9.08 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL611" "ANTAGONIST" "Tclin" "Homo sapiens" +"terazosin" 3584 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 9.2 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL611" "ANTAGONIST" "Tclin" "Homo sapiens" +"terazosin" 3584 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.44977188110352 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"terazosin" 3584 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.95 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL611" "ANTAGONIST" "Tclin" "Homo sapiens" +"terazosin" 3584 "Ribosyldihydronicotinamide dehydrogenase [quinone]" "Enzyme" "P16083" "NQO2" "NQO2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"terazosin" 3584 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.88 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"terazosin" 3584 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.93 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"terazosin" 3584 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.2596 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"terazosin" 3584 "Alpha-1B adrenergic receptor" "GPCR" "P18841" "ADRA1B" "ADA1B_MESAU" 9.16 "Ki" "In vitro binding affinity using [3H]prazosin as radioligand against adrenoceptor alpha 1b expressed in LTK cell" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL611" "Mesocricetus auratus" +"terazosin" 3584 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.63 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL611" "Tchem" "Homo sapiens" +"terazosin" 3584 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 7.59 "Ki" "Binding affinity against Alpha-1A adrenergic receptor from bovine clone" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL611" "Bos taurus" +"terazosin" 3584 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 9.09 "Ki" "In vitro binding affinity using [3H]prazosin as radioligand against adrenoceptor alpha 1A" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL611" "Rattus norvegicus" +"terazosin" 3584 "Alpha-2B adrenergic receptor" "GPCR" "P19328" "Adra2b" "ADA2B_RAT" 8.11 "Ki" "Binding affinity against rat Alpha-2B adrenergic receptor using [3H]rauwolscine as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL611" "Rattus norvegicus" +"terazosin" 3584 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.75 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL611" "Tclin" "Homo sapiens" +"terazosin" 3584 "Alpha-1D adrenergic receptor" "GPCR" "P23944" "Adra1d" "ADA1D_RAT" 9 "Ki" "In vitro binding affinity using [3H]prazosin as radioligand against adrenoceptor alpha 1d expressed in LTK cell" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL611" "Rattus norvegicus" +"terazosin" 3584 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.72 "Ki" "Compound was evaluated for its ability to displace [125I]HEAT binding from rat Alpha-1B adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL611" "Rattus norvegicus" +"tetryzoline" 3591 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 7.52 "IC50" "Binding affinity against Alpha-2 adrenergic receptor is the ability to inhibit the specific [3H]clonidine binding (0.4 nM) to rat isolated brain membranes by 50% was reported; 3.0*10e-8" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1266" "Rattus norvegicus" +"tetryzoline" 3591 "Adrenergic receptor alpha" "GPCR" "P15823|P19328|P22086|P22909|P23944|P43140" "Adra1a|Adra1b|Adra1d|Adra2a|Adra2b|Adra2c" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT|ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 7.96 "Ki" "Displacement of [3H]clonidine from alpha-adrenergic receptor in rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1266" "Rattus norvegicus" +"tetryzoline" 3591 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 5.8 "IC50" "Binding affinity against alpha-1 adrenergic receptor is the ability to inhibit the specific [3H]prazosin binding (0.2 nM) to rat isolated brain membranes by 50% was reported; 1.6*10e-6" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1266" "Rattus norvegicus" +"tetryzoline" 3591 "Adrenergic receptor alpha" "GPCR" "P08913|P18089|P18825|P25100|P35348|P35368" "ADRA1A|ADRA1B|ADRA1D|ADRA2A|ADRA2B|ADRA2C" "ADA1A_HUMAN|ADA1B_HUMAN|ADA1D_HUMAN|ADA2A_HUMAN|ADA2B_HUMAN|ADA2C_HUMAN" "Mechanism of Action; CHEMBL2095203; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1266" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1266" "AGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"thiram" 3601 "Monoglyceride lipase" "Enzyme" "Q99685" "MGLL" "MGLL_HUMAN" 6.01 "IC50" "Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL120563" "Tchem" "Homo sapiens" +"thiram" 3601 "Fatty-acid amide hydrolase 1" "Enzyme" "O00519" "FAAH" "FAAH1_HUMAN" 4.35 "IC50" "Inhibition of human recombinant FAAH-maltose binding protein" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL120563" "Tchem" "Homo sapiens" +"thiram" 3601 "Gamma-butyrobetaine dioxygenase" "Enzyme" "O75936" "BBOX1" "BODG_HUMAN" 5.23999977111816 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL120563" "Tchem" "Homo sapiens" +"thiram" 3601 "Bifunctional protein GlmU" "Unclassified" "P9WMN3" "glmU" "GLMU_MYCTU" 4.05 "IC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL120563" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"thyropropic acid" 3604 "Proliferating cell nuclear antigen" "Unclassified" "P12004" "PCNA" "PCNA_HUMAN" 4.77 "IC50" "Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarization assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL291053" "Tchem" "Homo sapiens" +"thyropropic acid" 3604 "Thyroid hormone receptor alpha" "Nuclear hormone receptor" "P10827" "THRA" "THA_HUMAN" 10.39 "IC50" "Concentration required to inhibit 50% of I-T3 binding to hTR1 (Thyroid hormone receptor alpha) was determined" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL291053" "Tclin" "Homo sapiens" +"thyropropic acid" 3604 "Thyroid hormone receptor beta" "Nuclear hormone receptor" "P10828" "THRB" "THB_HUMAN" 10.72 "IC50" "Concentration required to inhibit 50% of I-T3 binding to hTR1 (Thyroid hormone receptor beta) was determined" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL291053" "Tclin" "Homo sapiens" +"tioxolone" 3607 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.75 "IC50" "Inhibition of human recombinant carbonic anhydrase 2 assessed as activity of carbonic anhydrase 2 esterase activity against 4-nitrophenyl acetate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL442687" "Tclin" "Homo sapiens" +"tipranavir" 3609 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"tipranavir" 3609 "Pol polyprotein" "Enzyme" "Q72874" "pol" "Q72874_9HIV1" 7.52 "IC50" "Tested for inhibition of HIV protease" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL222559" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL222559" "INHIBITOR" "Human immunodeficiency virus 1" +"tipranavir" 3609 "Cathepsin D" "Enzyme" "P07339" "CTSD" "CATD_HUMAN" 4.82 "Ki" "Compound was tested for inhibition human Cathepsin D" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL222559" "Tchem" "Homo sapiens" +"tipranavir" 3609 "Pepsin A-5" "Enzyme" "P0DJD9" "PGA5" "PEPA5_HUMAN" 5.7 "Ki" "Inhibition of human pepsin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL222559" "Tclin" "Homo sapiens" +"tipranavir" 3609 "Cathepsin E" "Enzyme" "P14091" "CTSE" "CATE_HUMAN" 5.05 "Ki" "Compound was tested for inhibition human Cathepsin E" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL222559" "Tchem" "Homo sapiens" +"tipranavir" 3609 "CAAX prenyl protease 1 homolog" "Enzyme" "Q80W54" "Zmpste24" "FACE1_MOUSE" 5.92 "IC50" "Inhibition of mouse ZMPSTE24 expressed n delta ste24 delta rce1 yeast" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL222559" "Mus musculus" +"tiratricol" 3611 "Proliferating cell nuclear antigen" "Unclassified" "P12004" "PCNA" "PCNA_HUMAN" 4.6 "IC50" "Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarization assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL41632" "Tchem" "Homo sapiens" +"tiratricol" 3611 "Thyroid hormone receptor alpha" "Nuclear hormone receptor" "P10827" "THRA" "THA_HUMAN" 9.85 "IC50" "Concentration required to inhibit 50% of I-T3 binding to hTR1 (Thyroid hormone receptor alpha) was determined" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL41632" "Tclin" "Homo sapiens" +"tiratricol" 3611 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 4.46 "IC50" "Transcriptional activity at human androgen receptor BF3 site stably transfected in eGFP-expressing human LNCAP cells after 5 days by fluorometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL41632" "Tclin" "Homo sapiens" +"tiratricol" 3611 "Thyroid hormone receptor beta" "Nuclear hormone receptor" "P10828" "THRB" "THB_HUMAN" 10.39 "IC50" "Inhibition of thyroid hormone receptor beta" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL41632" "Tclin" "Homo sapiens" +"tiratricol" 3611 "Thyroid hormone receptor beta" "Transcription factor" "P18113" "Thrb" "THB_RAT" 9.82 "IC50" "In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL41632" "Rattus norvegicus" +"toliprolol" 3616 "Beta-2 adrenergic receptor" "GPCR" "Q28044" "ADRB2" "ADRB2_BOVIN" 7.36 "Kd" "Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL67096" "Bos taurus" +"toliprolol" 3616 "Beta-1 adrenergic receptor" "GPCR" "B0FL73" "ADRB1" "B0FL73_CAVPO" 8.75 "Kd" "Beta-1 adrenergic receptor activation measured by isoprenaline-induced positive inotropic effect in guinea pig left atrium" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL67096" "Cavia porcellus" +"toliprolol" 3616 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 9.42000007629395 "Kd" "Binding affinity to beta-1 adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL67096" "Tclin" "Homo sapiens" +"toliprolol" 3616 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 8.92000007629395 "Kd" "Binding affinity to beta2 adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL67096" "Tclin" "Homo sapiens" +"tolnaftate" 3617 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.893809103 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tolnaftate" 3617 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 5.522878745 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"tolnaftate" 3617 "Lanosterol 14-alpha demethylase" "Enzyme" "Q16850" "CYP51A1" "CP51A_HUMAN" 4.3 "IC50" "Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL83668" "Tchem" "Homo sapiens" +"tramazoline" 3620 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.55999994277954 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"tramazoline" 3620 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.8600001335144 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"tramazoline" 3620 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.5 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"tramazoline" 3620 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 8.38 "Ki" "Displacement of [3H]clonidine from Alpha-2 adrenergic receptor of rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL32573" "Rattus norvegicus" +"tramazoline" 3620 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 5.96 "IC50" "50% inhibition of specific [3H]prazosin binding (0.4 nM) to Alpha-2 adrenergic receptors in rat isolated brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL32573" "Rattus norvegicus" +"triclocarban" 3630 "Bifunctional epoxide hydrolase 2" "Enzyme" "P34913" "EPHX2" "HYES_HUMAN" 7.89 "IC50" "Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1076347" "Tchem" "Homo sapiens" +"triclocarban" 3630 "Epoxide hydrolase; Epoxide hydrolase EphB" "Enzyme" "P95276" "P95276_MYCTO" 6.66 "IC50" "Inhibition of Mycobacterium tuberculosis recombinant EphB expressed in Escherichia coli BL21 using CMNPC as substrate after 30 mins by fluorescent assay relative to control" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1076347" "Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)" +"triclocarban" 3630 "Epoxide hydrolase 1" "Unclassified" "P07099" "EPHX1" "HYEP_HUMAN" 6.92 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1076347" "Homo sapiens" +"triclocarban" 3630 "Epoxide hydrolase 1" "Unclassified" "Q9D379" "Ephx1" "HYEP_MOUSE" 6.44 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1076347" "Mus musculus" +"triclosan" 3631 "Carbonyl reductase [NADPH] 1" "Enzyme" "P16152" "CBR1" "CBR1_HUMAN" 7.22 "Ki" "Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL849" "Tchem" "Homo sapiens" +"triclosan" 3631 "Enoyl-[acyl-carrier-protein] reductase [NADPH]" "Enzyme" "Q9RMI3" "fabI" "Q9RMI3_STAAU" 7.23 "IC50" "Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL849" "Staphylococcus aureus" +"triclosan" 3631 "Enoyl-[acyl-carrier-protein] reductase [NADH]" "Enzyme" "P9WGR1" "inhA" "INHA_MYCTU" 6.7 "Ki" "Inhibition of Mycobacterium tuberculosis H37RV InhA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL849" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"triclosan" 3631 "Enoyl-ACP reductase" "Unclassified" "Q9BJJ9" "FabI" "Q9BJJ9_PLAFA" 6.7 "IC50" "Inhibition of Plasmodium falciparum Enoyl-ACP reductase using crotonyl-CoA as substrate peincubated for 5 mins measured after 10 mins of substrate addition by UV-vis spectrophotometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL849" "Plasmodium falciparum" +"triclosan" 3631 "Enoyl-[acyl-carrier-protein] reductase [NADH]" "Enzyme" "Q5NGQ3" "fabI" "Q5NGQ3_FRATT" 5.89 "IC50" "Inhibition of C-terminal His6-tagged wild type Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate by UV-vis spectrophotometric analysis in presence of non pre-equilibrated NAD+" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL849" "Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)" +"triclosan" 3631 "Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI" "Enzyme" "Q6GI75" "fabI" "FABI_STAAR" 7.15 "IC50" "Inhibitory activity against Enoyl-ACP reductase FabI in Staphylococcus aureus" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL849" "Staphylococcus aureus (strain MRSA252)" +"triclosan" 3631 "Enoyl-acyl-carrier protein reductase" "Enzyme" "Q965D5" "fabI" "Q965D5_PLAFA" 10.28 "Ki" "Inhibition of Plasmodium falciparum ENR in presence of ECG by dilution assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL849" "Plasmodium falciparum" +"triclosan" 3631 "Enoyl-[acyl-carrier-protein] reductase [NADH] FabI" "Enzyme" "P54616" "fabI" "FABI_BACSU" 6.3 "IC50" "Inhibition of Bacillus anthracis Enoyl ACP reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL849" "Bacillus subtilis (strain 168)" +"triclosan" 3631 "Enoyl-[acyl-carrier-protein] reductase [NADH] FabI" "Enzyme" "P0AEK4" "fabI" "FABI_ECOLI" 6.37 "IC50" "Antibacterial activity against Escherichia coli FabI" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL849" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL849" "INHIBITOR" "Escherichia coli (strain K12)" +"triclosan" 3631 "Enoyl-acyl carrier reductase; Enoyl-acyl carrier reductase ENR" "Enzyme" "Q6UCJ9" "ENR" "Q6UCJ9_TOXGO" 7.82 "IC50" "Inhibition of Toxoplasma gondii enoyl reductase assessed as conversion of trans-2-acyl-ACP to acyl-ACP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL849" "Toxoplasma gondii" +"uridine triphosphate" 3639 "P2Y purinoceptor 2" "GPCR" "P41231" "P2RY2" "P2RY2_HUMAN" 8.1 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1734" "AGONIST" "Tclin" "Homo sapiens" +"uridine triphosphate" 3639 "P2Y purinoceptor 4" "GPCR" "P51582" "P2RY4" "P2RY4_HUMAN" 6.3 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1734" "AGONIST" "Tchem" "Homo sapiens" +"uridine triphosphate" 3639 "P2Y purinoceptor 6" "GPCR" "Q15077" "P2RY6" "P2RY6_HUMAN" 5.2 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1734" "AGONIST" "Tchem" "Homo sapiens" +"uridine triphosphate" 3639 "P2Y purinoceptor 11" "GPCR" "Q96G91" "P2RY11" "P2Y11_HUMAN" 5.2 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1734" "AGONIST" "Tbio" "Homo sapiens" +"uridine triphosphate" 3639 "P2X purinoceptor 3" "Ion channel" "P56373" "P2RX3" "P2RX3_HUMAN" 5.583359493 "Ki" "PDSP" "Tchem" "Homo sapiens" +"uridine triphosphate" 3639 "P2Y purinoceptor 4" "Unclassified" "O35811" "P2ry4" "P2RY4_RAT" 5.6 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1734" "AGONIST" "Rattus norvegicus" +"vildagliptin" 3642 "Prolyl endopeptidase FAP" "Enzyme" "Q12884" "FAP" "SEPR_HUMAN" 5.43 "IC50" "Inhibition of 6xHis-tagged recombinant FAP (unknown origin) expressed in baculovirus expression system assessed as hydrolysis of Nle-Pro-aminomethylcoumarin after 20 mins by fluorometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL142703" "Tchem" "Homo sapiens" +"vildagliptin" 3642 "Prolyl endopeptidase FAP" "Enzyme" "P97321" "Fap" "SEPR_MOUSE" 4.28 "IC50" "Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mins prior to substrate addition by fluorescence technique" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL142703" "Mus musculus" +"vildagliptin" 3642 "Dipeptidyl peptidase 4" "Enzyme" "P27487" "DPP4" "DPP4_HUMAN" 8.52 "Ki" "Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis" "CHEMBL" "=" 1 "DRUG LABEL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL142703" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/000771/WC500020327.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"vildagliptin" 3642 "Dipeptidyl peptidase 8" "Enzyme" "Q6V1X1" "DPP8" "DPP8_HUMAN" 6.09 "Ki" "Inhibition of DPP8" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL142703" "Tchem" "Homo sapiens" +"vildagliptin" 3642 "Dipeptidyl peptidase 9" "Enzyme" "Q86TI2" "DPP9" "DPP9_HUMAN" 7.17 "Ki" "Inhibition of DPP9" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL142703" "Tchem" "Homo sapiens" +"vincamine" 3643 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.7 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=349" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"vincamine" 3643 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.1 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=349" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"vincamine" 3643 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 4.8 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=349" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"vincamine" 3643 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 4.2 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=349" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"vinflunine" 3644 "Tubulin beta" "Tumour-associated antigen" "P04350|P07437|P68371|Q13509|Q13885|Q3ZCM7|Q9BUF5|Q9BVA1|Q9H4B7" "TUBB|TUBB1|TUBB2A|TUBB2B|TUBB3|TUBB4A|TUBB4B|TUBB6|TUBB8" "TBB1_HUMAN|TBB2A_HUMAN|TBB2B_HUMAN|TBB3_HUMAN|TBB4A_HUMAN|TBB4B_HUMAN|TBB5_HUMAN|TBB6_HUMAN|TBB8_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/19010832" "http://www.ncbi.nlm.nih.gov/pubmed/19010832" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"vorozole" 3651 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 8.86 "IC50" "Inhibition of human placental microsome CYP19" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL224060" "http://www.ncbi.nlm.nih.gov/pubmed/7726994" "INHIBITOR" "Tclin" "Homo sapiens" +"xanomeline" 3652 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.40000009536743 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"xanomeline" 3652 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 5.80000019073486 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"xanomeline" 3652 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"xanomeline" 3652 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 8.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=57" "AGONIST" "Tclin" "Homo sapiens" +"xanomeline" 3652 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=57" "ANTAGONIST" "Tclin" "Homo sapiens" +"xanomeline" 3652 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=57" "ANTAGONIST" "Tclin" "Homo sapiens" +"xanomeline" 3652 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=57" "AGONIST" "Tclin" "Homo sapiens" +"xanomeline" 3652 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.2 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=57" "AGONIST" "Tclin" "Homo sapiens" +"xanomeline" 3652 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 6.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=57" "AGONIST" "Tclin" "Homo sapiens" +"xanomeline" 3652 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=57" "ANTAGONIST" "Tclin" "Homo sapiens" +"xanomeline" 3652 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 6.5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=57" "AGONIST" "Tclin" "Homo sapiens" +"xanomeline" 3652 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=57" "AGONIST" "Tchem" "Homo sapiens" +"xanomeline" 3652 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 5.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=57" "AGONIST" "Tchem" "Homo sapiens" +"xanomeline" 3652 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 7.8 "IC50" "In vitro Muscarinic acetylcholine receptor M2 binding was evaluated in rat brain membranes by using [3H]- Oxo-M" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21536" "Rattus norvegicus" +"xanomeline" 3652 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.89 "Ki" "Displacement of [3H]-4-DAMP from human muscarinic M3 receptor expressed in BHK-21 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21536" "Tclin" "Homo sapiens" +"xanomeline" 3652 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.14 "Ki" "Displacement of [3H]-4-DAMP from human muscarinic M4 receptor expressed in BHK-21 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21536" "Tclin" "Homo sapiens" +"xanomeline" 3652 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.1 "Ki" "Displacement of [3H]-4-DAMP from human muscarinic M5 receptor expressed in BHK-21 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21536" "Tclin" "Homo sapiens" +"xanomeline" 3652 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 8.7 "IC50" "Binding affinity for muscarinic acetylcholine receptor M1 using [3H]oxotremorine-M (Oxo-M) radioligand in rat hippocampus membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21536" "Rattus norvegicus" +"xanomeline" 3652 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.92 "Ki" "Displacement of [3H]-AFDX-384 from human muscarinic M2 receptor expressed in CHO-K1 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21536" "Tclin" "Homo sapiens" +"xanomeline" 3652 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm2|Chrm3|Chrm4|Chrm5" "ACM1_RAT|ACM2_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT" 8.01 "IC50" "Binding affinity against muscarinic receptor in rat brain membranes using oxotremorine-M as ligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21536" "Rattus norvegicus" +"xanomeline" 3652 "Muscarinic acetylcholine receptor M1" "GPCR" "P12657" "Chrm1" "ACM1_MOUSE" 5.24 "EC50" "Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21536" "Mus musculus" +"xanomeline" 3652 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.38 "Ki" "Affinity towards human M1 receptor expressed in CHO cells using [3H]QNB as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21536" "Tclin" "Homo sapiens" +"xylometazoline" 3658 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.8899998664856 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"xylometazoline" 3658 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.98000001907349 "Ki" "PDSP" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/20030735" "AGONIST" "Tclin" "Homo sapiens" +"xylometazoline" 3658 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.82000017166138 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"xylometazoline" 3658 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 7.64 "IC50" "Binding affinity against Alpha-2 adrenergic receptor is the ability to inhibit the specific [3H]clonidine binding (0.4 nM) to rat isolated brain membranes by 50% was reported; 2.3*10e-8" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL312448" "Rattus norvegicus" +"xylometazoline" 3658 "Adrenergic receptor alpha" "GPCR" "P15823|P19328|P22086|P22909|P23944|P43140" "Adra1a|Adra1b|Adra1d|Adra2a|Adra2b|Adra2c" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT|ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 8.32 "Ki" "Displacement of [3H]clonidine from alpha-adrenergic receptor in rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL312448" "Rattus norvegicus" +"xylometazoline" 3658 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.89 "Ki" "Binding affinity towards human 5-hydroxytryptamine 1B receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL312448" "Tclin" "Homo sapiens" +"xylometazoline" 3658 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 9.15 "Ki" "Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]5-HT trifluoroacetate as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL312448" "Tclin" "Homo sapiens" +"xylometazoline" 3658 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 6.24 "IC50" "Binding affinity against alpha-1 adrenergic receptor is the ability to inhibit the specific [3H]prazosin binding (0.2 nM) to rat isolated brain membranes by 50% was reported; 5.8*10e-7" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL312448" "Rattus norvegicus" +"xylometazoline" 3658 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.04 "Ki" "Binding affinity towards human Alpha-1 adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL312448" "Tclin" "Homo sapiens" +"yohimbine" 3659 "5-hydroxytryptamine receptor 5A" "Unclassified" "P30966" "Htr5a" "5HT5A_MOUSE" 6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=102" "ANTAGONIST" "Mus musculus" +"yohimbine" 3659 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=102" "ANTAGONIST" "Tclin" "Homo sapiens" +"yohimbine" 3659 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 7.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=102" "ANTAGONIST" "Tclin" "Homo sapiens" +"yohimbine" 3659 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=102" "ANTAGONIST" "Tclin" "Homo sapiens" +"yohimbine" 3659 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 5.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=102" "ANTAGONIST" "Tchem" "Homo sapiens" +"yohimbine" 3659 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=102" "ANTAGONIST" "Tclin" "Homo sapiens" +"yohimbine" 3659 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 5.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=102" "ANTAGONIST" "Tchem" "Homo sapiens" +"yohimbine" 3659 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 5.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=102" "ANTAGONIST" "Tclin" "Homo sapiens" +"yohimbine" 3659 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.163043263 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"yohimbine" 3659 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.105683937 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"yohimbine" 3659 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.692140419 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"yohimbine" 3659 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.181774106 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"yohimbine" 3659 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 7.02 "IC50" "Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15245" "Tchem" "Homo sapiens" +"yohimbine" 3659 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.48 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15245" "Tclin|Tclin|Tclin" "Homo sapiens" +"yohimbine" 3659 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 5.61 "Ki" "Tested for binding affinity against dopamine receptor D3 expressed in Sf9 cells." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15245" "Rattus norvegicus" +"yohimbine" 3659 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 9.38 "Ki" "Binding affinity against human Alpha-2A adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand" "CHEMBL" "=" 1 "IUPHAR" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15245" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=102" "ANTAGONIST" "Tclin" "Homo sapiens" +"yohimbine" 3659 "DNA topoisomerase 1" "Enzyme" "P11387" "TOP1" "TOP1_HUMAN" 4.52 "IC50" "Inhibition of human recombinant DNA topoisomerase1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15245" "Tclin" "Homo sapiens" +"yohimbine" 3659 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd2|Drd3|Drd4|Drd5" "DRD1_RAT|DRD2_RAT|DRD3_RAT|DRD4_RAT|DRD5_RAT" 5.7 "Ki" "In vitro binding affinity to Dopamine receptors of rat striatal membranes by [3H]spiroperidol displacement." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15245" "Rattus norvegicus" +"yohimbine" 3659 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 9.22 "Ki" "Compound was evaluated for inhibition of binding of [3H]-yohimbine to Alpha-2 adrenergic receptor in alpha-2 C4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15245" "Rattus norvegicus" +"yohimbine" 3659 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 8.44 "Ki" "Compound was evaluated for inhibition of binding of [3H]yohimbine to Alpha-2 adrenergic receptor in bovine pineal" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15245" "Bos taurus" +"yohimbine" 3659 "Alpha-2A adrenergic receptor" "GPCR" "Q28838" "ADRA2A" "ADA2A_BOVIN" 7.31 "Ki" "Binding activity against alpha-2 adrenergic receptor from calf cerebral cortex, using [3H]clonidine as the radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15245" "Bos taurus" +"yohimbine" 3659 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.8 "Ki" "Binding affinity against Alpha-1D adrenergic receptor, from human clones." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15245" "Tclin" "Homo sapiens" +"yohimbine" 3659 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 6.4 "Kd" "Inhibition of specific [3H]prazosin binding (0.2 nM) to rat brain membranes alpha-1 adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15245" "Tclin" "Homo sapiens" +"yohimbine" 3659 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 8.96 "Ki" "Binding affinity against Alpha-1B adrenergic receptor from hamster clones." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15245" "Tclin" "Homo sapiens" +"yohimbine" 3659 "Dual specificity phosphatase Cdc25A" "Enzyme" "P30304" "CDC25A" "MPIP1_HUMAN" 4.65 "IC50" "Inhibition of His-tagged Cdc25A expressed in the Escherichia coli BL21(DE3) using p-nitrophenyl phosphate as substrate for 80 mins by spectrophotometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15245" "Tchem" "Homo sapiens" +"yohimbine" 3659 "Alpha-2B adrenergic receptor" "GPCR" "P19328" "Adra2b" "ADA2B_RAT" 8.7 "Ki" "Inhibition of [3H]- Yohimbine binding against rat kidney cortex Alpha-2B adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15245" "Rattus norvegicus" +"yohimbine" 3659 "Alpha-1D adrenergic receptor" "GPCR" "P23944" "Adra1d" "ADA1D_RAT" 7.28 "Ki" "Binding affinity against Alpha-1D adrenergic receptor, from rat clones." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15245" "Rattus norvegicus" +"yohimbine" 3659 "Alpha-2A adrenergic receptor" "GPCR" "P18871" "ADRA2A" "ADA2A_PIG" 8.36 "Ki" "Compound was evaluated for inhibition of binding of [3H]yohimbine to Alpha-2 adrenergic receptor in porcine alpha2-clone" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15245" "Sus scrofa" +"yohimbine" 3659 "Alpha-2 adrenergic receptor" "GPCR" "P30545|Q01337|Q01338" "Adra2a|Adra2b|Adra2c" "ADA2A_MOUSE|ADA2B_MOUSE|ADA2C_MOUSE" 9.22 "Ki" "Compound was evaluated for inhibition of binding of [3H]yohimbine to Alpha-2 adrenergic receptor in NG-108 cell" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15245" "Mus musculus" +"yohimbine" 3659 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "P22002" "Cacna1c" "CAC1C_RAT" 7.35 "Ki" "Inhibition of [3H]nitrendipine binding to membrane homogenates of rat cardiac muscle." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15245" "Rattus norvegicus" +"yohimbine" 3659 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 8.7 "Ki" "Binding affinity against human alpha 2b-adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand" "CHEMBL" "=" 1 "IUPHAR" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15245" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=102" "ANTAGONIST" "Tclin" "Homo sapiens" +"yohimbine" 3659 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 9.3 "Ki" "Displacement of [3H]RX821002 from human recombinant alpha2C adrenoceptor expressed in CHO cells" "CHEMBL" "=" 1 "IUPHAR" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15245" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=102" "ANTAGONIST" "Tclin" "Homo sapiens" +"yohimbine" 3659 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 5.95 "IC50" "In vitro inhibition of specific binding of [3H]-YM 09151-2 to Dopamine receptor D2 site in rat striatal tissue." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15245" "Rattus norvegicus" +"yohimbine" 3659 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 5.79 "Ki" "Binding affinity for 5-HT 2A in rat stomach fundus" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15245" "Rattus norvegicus" +"yohimbine" 3659 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.603975103 "Ki" "PDSP" "Tclin" "Homo sapiens" +"yohimbine" 3659 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=102" "ANTAGONIST" "Tclin" "Homo sapiens" +"yohimbine" 3659 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.9 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15245" "Rattus norvegicus" +"yohimbine" 3659 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 5.91 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15245" "Rattus norvegicus" +"yohimbine" 3659 "5-hydroxytryptamine receptor 1B" "Unclassified" "P28334" "Htr1b" "5HT1B_MOUSE" 8.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=102" "ANTAGONIST" "Mus musculus" +"yohimbine" 3659 "5-hydroxytryptamine receptor 1F" "Unclassified" "P30940" "Htr1f" "5HT1F_RAT" 6.2 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=102" "ANTAGONIST" "Rattus norvegicus" +"yohimbine" 3659 "5-hydroxytryptamine receptor 2B" "GPCR" "P30994" "Htr2b" "5HT2B_RAT" 7.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=102" "ANTAGONIST" "Rattus norvegicus" +"azacyclonol" 3680 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.85 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL127508" "Tclin|Tclin|Tclin" "Homo sapiens" +"azacyclonol" 3680 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.18 "Ki" "Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO cell by Betaplate scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL127508" "Tclin" "Homo sapiens" +"benzylsulfamide" 3686 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 7.67 "Ki" "Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104196" "Tclin" "Homo sapiens" +"benzylsulfamide" 3686 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 6.93 "Ki" "Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104196" "Tclin" "Homo sapiens" +"bropirimine" 3689 "Xanthine dehydrogenase/oxidase" "Enzyme" "P47989" "XDH" "XDH_HUMAN" 6 "IC50" "Inhibition of C-terminally FLAG-tagged human xanthine oxidase (amino acid 1 to 1333) expressed in baculovirus system after 15 mins by spectrophotometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL37387" "Tclin" "Homo sapiens" +"chlorthenoxazine" 3707 "Poly [ADP-ribose] polymerase 1" "Enzyme" "P09874" "PARP1" "PARP1_HUMAN" 5.07 "IC50" "The compound was tested for poly(ADP-ribose)-polymerase (PARP) inhibition" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL124815" "Tclin" "Homo sapiens" +"ciramadol" 3713 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/2572952" "http://www.ncbi.nlm.nih.gov/pubmed/2572952" "MODULATOR" "Tclin" "Homo sapiens" +"clobenztropine" 3715 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 7.52 "Ki" "Compound was evaluated for its ability to displace [3H]WIN-35428 binding in rat caudate-putamen" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2146132" "Rattus norvegicus" +"diperodon" 3734 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.89 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL338667" "Tclin|Tclin|Tclin" "Homo sapiens" +"meprylcaine" 3770 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.12 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL127810" "Tclin|Tclin|Tclin" "Homo sapiens" +"myrtecaine" 3787 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.31554065 "Ki" "DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"parethoxycaine" 3805 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.62 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL421669" "Tclin|Tclin|Tclin" "Homo sapiens" +"tasosartan" 3839 "Type-1 angiotensin II receptor" "GPCR" "P30556" "AGTR1" "AGTR1_HUMAN" 7.49 "IC50" "Compound was tested for inhibition against Angiotensin II receptor, type 1" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL432162" "http://www.ncbi.nlm.nih.gov/pubmed/10487332" "ANTAGONIST" "Tclin" "Homo sapiens" +"tasosartan" 3839 "Angiotensin II receptor (AT-1) type-1" "GPCR" "P25095|P29089" "Agtr1|Agtr1b" "AGTRA_RAT|AGTRB_RAT" 8.92 "IC50" "Compound was evaluated for the in vitro inhibition of specific binding of [125I]-A II to Angiotensin II receptor, type 1 from rat adrenal membranes." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL432162" "Rattus norvegicus" +"velnacrine" 3848 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 6.79 "IC50" "Inhibition of acetylcholinesterase (AChE) of human red blood cell (type XIII) by modified radiometric AChE assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL23455" "Tclin" "Homo sapiens" +"velnacrine" 3848 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 7.22 "IC50" "Inhibition of acetylcholinesterase (AChE) in electric eel (type V-S) by modified radiometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL23455" "Electrophorus electricus" +"velnacrine" 3848 "Acetylcholinesterase" "Enzyme" "P37136" "Ache" "ACES_RAT" 6.44 "IC50" "Inhibition of Acetylcholinesterase in rat red blood cell" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL23455" "Rattus norvegicus" +"velnacrine" 3848 "Acetylcholinesterase" "Enzyme" "P21836" "Ache" "ACES_MOUSE" 6 "IC50" "Inhibition of Acetylcholinesterase in mouse red blood cell" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL23455" "Mus musculus" +"velnacrine" 3848 "Butyrylcholinesterase" "Enzyme" "Q9N1N9" "BCHE" "Q9N1N9_HORSE" 7.27 "IC50" "Inhibition of (BChE) Butyrylcholinesterase of horse serum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL23455" "Equus caballus" +"dexibuprofen" 3851 "Aldo-keto reductase family 1 member C3" "Enzyme" "P42330" "AKR1C3" "AK1C3_HUMAN" 4.49 "IC50" "Inhibition of human recombinant N-terminal His6-tagged AKR1C3 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175" "Tchem" "Homo sapiens" +"dexibuprofen" 3851 "Aldo-keto reductase family 1 member C2" "Enzyme" "P52895" "AKR1C2" "AK1C2_HUMAN" 4.37 "IC50" "Inhibition of human recombinant N-terminal His6-tagged AKR1C2 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175" "Tchem" "Homo sapiens" +"dexibuprofen" 3851 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 5.82 "IC50" "Inhibition of sheep COX2 by spectrophotometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175" "Ovis aries" +"dexibuprofen" 3851 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 7.01 "IC50" "Inhibition of COX1 in human HEL 92.1.7 cells assessed as thromboxane B2 production incubated for 30 mins before arachidonic acid addition measured after 15 mins by ELISA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175" "Tclin" "Homo sapiens" +"dexibuprofen" 3851 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.14 "IC50" "Inhibition of COX2 in LPS-stimulated and PMA-treated human U937 cells assessed as PGE2 production after 15 mins by ELISA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175" "Tclin" "Homo sapiens" +"dexibuprofen" 3851 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 5.83 "IC50" "Inhibition of ovine COX1 by EIA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175" "Ovis aries" +"docosanoic acid" 3855 "Peroxisome proliferator-activated receptor delta" "Nuclear hormone receptor" "Q03181" "PPARD" "PPARD_HUMAN" 4.52 "IC50" "Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scintillation proximity assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173474" "Tchem" "Homo sapiens" +"docosanoic acid" 3855 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 4.52 "IC50" "Displacement of [3H]BRL49653 from Homo sapiens (human) PPARgamma receptor by scintillation proximity assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173474" "Tclin" "Homo sapiens" +"docosanoic acid" 3855 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 4.52 "IC50" "Displacement of [3H]GW2331 from Homo sapiens (human) PPARalpha receptor by scintillation proximity assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173474" "Tclin" "Homo sapiens" +"alitretinoin" 3862 "Retinoic acid receptor gamma" "Nuclear hormone receptor" "P13631" "RARG" "RARG_HUMAN" 7.13 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL705" "AGONIST" "Tclin" "Homo sapiens" +"alitretinoin" 3862 "Retinoic acid receptor beta" "Nuclear hormone receptor" "P10826" "RARB" "RARB_HUMAN" 7.3 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL705" "AGONIST" "Tclin" "Homo sapiens" +"alitretinoin" 3862 "Retinoic acid receptor RXR-gamma" "Nuclear hormone receptor" "P48443" "RXRG" "RXRG_HUMAN" 6.66 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL705" "AGONIST" "Tclin" "Homo sapiens" +"alitretinoin" 3862 "Retinoic acid receptor RXR-beta" "Nuclear hormone receptor" "P28702" "RXRB" "RXRB_HUMAN" 6.7 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL705" "AGONIST" "Tclin" "Homo sapiens" +"alitretinoin" 3862 "Retinoic acid receptor RXR-alpha" "Nuclear hormone receptor" "P19793" "RXRA" "RXRA_HUMAN" 6.5 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL705" "AGONIST" "Tclin" "Homo sapiens" +"alitretinoin" 3862 "Retinoic acid receptor alpha" "Nuclear hormone receptor" "P10276" "RARA" "RARA_HUMAN" 6.52 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL705" "AGONIST" "Tclin" "Homo sapiens" +"alitretinoin" 3862 "Nuclear receptor ROR-gamma" "Nuclear hormone receptor" "P51449" "RORC" "RORG_HUMAN" 4.85 "EC50" "Inverse agonist activity at human RoRc-LBD fusion protein with GST expressed in BL-21 (BL3) cells assessed as SRC1 coactivator peptide recruitment" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL705" "Tchem" "Homo sapiens" +"alitretinoin" 3862 "Retinoic acid receptor alpha" "Transcription factor" "P11416" "Rara" "RARA_MOUSE" 8.15 "Kd" "Dissociation constant for binding to Retinoic acid receptor alpha" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL705" "Mus musculus" +"alitretinoin" 3862 "Retinoic acid receptor RXR-gamma" "Transcription factor" "P28705" "Rxrg" "RXRG_MOUSE" 8.4 "Kd" "Dissociation constant for binding to Retinoid X receptor gamma" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL705" "Mus musculus" +"alitretinoin" 3862 "Retinoic acid receptor RXR-beta" "Transcription factor" "P28704" "Rxrb" "RXRB_MOUSE" 7.92 "Kd" "Dissociation constant for binding to Retinoid X receptor beta" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL705" "Mus musculus" +"alitretinoin" 3862 "Retinoic acid receptor gamma" "Transcription factor" "P18911" "Rarg" "RARG_MOUSE" 7.77 "Kd" "Dissociation constant for binding to Retinoic acid receptor gamma" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL705" "Mus musculus" +"alitretinoin" 3862 "Retinoic acid receptor RXR-alpha" "Transcription factor" "P28700" "Rxra" "RXRA_MOUSE" 7.49 "Kd" "Dissociation constant for binding to Retinoid X receptor alpha" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL705" "Mus musculus" +"alitretinoin" 3862 "Retinoic acid receptor RXR-alpha" "Unclassified" "Q05343" "Rxra" "RXRA_RAT" 6.96 "EC50" "Agonist activity at RXR-alpha in rat R3KE cells infected with oncogene KLF4-ER assessed as inhibition of KLF4-mediated oncogenic transformation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL705" "Rattus norvegicus" +"alitretinoin" 3862 "Retinoic acid receptor beta" "Transcription factor" "P22605" "Rarb" "RARB_MOUSE" 8.15 "Kd" "Dissociation constant for binding to Retinoic acid receptor beta" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL705" "Mus musculus" +"artemisinin" 3871 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 5.698970004 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"benzamycin" 3875 "Motilin receptor" "GPCR" "O43193" "MLNR" "MTLR_HUMAN" 7.36 "IC50" "Compound was tested for in vitro motilin receptor binding affinity" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL532" "Tchem" "Homo sapiens" +"benzamycin" 3875 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 7.41 "IC50" "Inhibition of human ERG expressed in HEK cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL532" "Tclin" "Homo sapiens" +"benidipine" 3880 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 6.84314823150635 "IC50" "HEK-293 cells stably expressing hCav3.2 T-type Ca2+ channels" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/21466810" "BLOCKER" "Tclin" "Homo sapiens" +"benidipine" 3880 "Voltage-gated L-type calcium channel" "Ion channel" "Q01668|Q13936" "CACNA1C|CACNA1D" "CAC1C_HUMAN|CAC1D_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/17276408" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"benzydamine" 3881 "Soluble guanylate cyclase" "Enzyme" "O75343|P33402|Q02108|Q02153" "GUCY1A2|GUCY1A3|GUCY1B2|GUCY1B3" "GCYA2_HUMAN|GCYA3_HUMAN|GCYB1_HUMAN|GCYB2_HUMAN" 5.99 "EC50" "The cGMP produced by compound was expressed as a ratio between the percentage of the DEA/NO response for the compound" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12610" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"biriperone" 3883 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.96 "Ki" "Ability to compete with [3H]YM-09151-2 binding to the human dopamine receptor D3 transfected in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL136711" "Tclin" "Homo sapiens" +"biriperone" 3883 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 7.62 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL136711" "Rattus norvegicus" +"biriperone" 3883 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 6.37 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL136711" "Rattus norvegicus" +"biriperone" 3883 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 7.88 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL136711" "Rattus norvegicus" +"clobetasone butyrate" 3911 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01273" "http://www.kegg.jp/entry/D01273" "AGONIST" "Tclin" "Homo sapiens" +"clorotepine" 3912 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 8.66487693786621 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"clorotepine" 3912 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.37236404418945 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"clorotepine" 3912 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 9.39793968200684 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"clorotepine" 3912 "Alpha-1B adrenergic receptor" "GPCR" "P18841" "ADRA1B" "ADA1B_MESAU" 9.25 "Ki" "Displacement of [3H]prozosin from hamster cloned alpha-1b receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL64249" "Mesocricetus auratus" +"clorotepine" 3912 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 9.74 "IC50" "Ability to inhibit binding of [3H]PRAZ to alpha-1 adrenergic receptor in rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL64249" "Rattus norvegicus" +"clorotepine" 3912 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 8.62 "Ki" "Half-maximal inhibition of [3H]-7-OH-DPAT binding to Dopamine receptor D3 in rat tissue homogenate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL64249" "Rattus norvegicus" +"clorotepine" 3912 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2a|Htr2b|Htr2c" "5HT2A_RAT|5HT2B_RAT|5HT2C_RAT" 9.24 "IC50" "Ability to inhibit binding of [3H]KET to 5-hydroxytryptamine 2 receptor in rat cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL64249" "Rattus norvegicus" +"clorotepine" 3912 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd2|Drd3|Drd4|Drd5" "DRD1_RAT|DRD2_RAT|DRD3_RAT|DRD4_RAT|DRD5_RAT" 8.52 "IC50" "Ability to displace [3H]haloperidol from rat striatal membranes, in order to measure its intrinsic affinity for the dopamine (DA) receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL64249" "Rattus norvegicus" +"clorotepine" 3912 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.17 "Ki" "Displacement of [3H]prozosin from human cloned dopamine D2 receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL64249" "Tclin" "Homo sapiens" +"clorotepine" 3912 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 9.18 "Ki" "Displacement of [3H]prozosin from bovine cloned Alpha-1A receptor expressed in BHK cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL64249" "Bos taurus" +"clorotepine" 3912 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 9.24 "Ki" "Displacement of [3H]prozosin from human cloned 5HT2C receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL64249" "Tclin" "Homo sapiens" +"clorotepine" 3912 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 9.72 "Ki" "Displacement of [3H]prozosin from human cloned histamine H1 receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL64249" "Tclin" "Homo sapiens" +"clorotepine" 3912 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 8.64 "Ki" "Half-maximal inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 in rat striatal homogenate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL64249" "Rattus norvegicus" +"clorotepine" 3912 "Alpha-1D adrenergic receptor" "GPCR" "P23944" "Adra1d" "ADA1D_RAT" 9.11 "Ki" "Displacement of [3H]prozosin from rat cloned alpha1d receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL64249" "Rattus norvegicus" +"clorotepine" 3912 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 9.3 "Ki" "Half-maximal inhibition of [3H]spiperone binding to Dopamine receptor D2 in rat striatal homogenate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL64249" "Rattus norvegicus" +"clorotepine" 3912 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 9.64 "Ki" "Half-maximal inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2A receptor in rat cerebral cortex homogenate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL64249" "Rattus norvegicus" +"clorotepine" 3912 "Trace amine-associated receptor 1" "GPCR" "Q96RJ0" "TAAR1" "TAAR1_HUMAN" 6.307153081 "Ki" "PDSP" "Tclin" "Homo sapiens" +"dexamethasone phosphate" 3920 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 9.3 "IC50" "Agonist activity at glucocorticoid receptor in HFF assessed as inhibition of IL-1-induced IL-6 production after 24 hrs" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL384467" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL384467" "AGONIST" "Tclin" "Homo sapiens" +"dexamethasone phosphate" 3920 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 4.79 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL384467" "Rattus norvegicus" +"dexamethasone phosphate" 3920 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 9.44 "Ki" "Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL384467" "Tclin" "Homo sapiens" +"dexamethasone phosphate" 3920 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 4.66 "Ki" "Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP high binding affinity site expressed in Escherichia coli BL21 by competitive fluorescence displacement assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL384467" "Rattus norvegicus" +"dexamethasone phosphate" 3920 "Glucocorticoid receptor" "Transcription factor" "P06536" "Nr3c1" "GCR_RAT" 7.66 "IC50" "Displacement of [3H]dexamethasone from Sprague-Dawley rat GR by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL384467" "Rattus norvegicus" +"dexamethasone phosphate" 3920 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 5.52 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL384467" "Bos taurus" +"dexamethasone phosphate" 3920 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 6.25 "Ki" "Displacement of [3H]-methyltrienolone from human progesterone receptor expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL384467" "Tclin" "Homo sapiens" +"dexamethasone phosphate" 3920 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 5.85 "Ki" "Displacement of [3H]-methyltrienolone from human androgen receptor expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL384467" "Tclin" "Homo sapiens" +"androstanolone" 3927 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 6.787812396 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"androstanolone" 3927 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 6.66 "Ki" "Competitive inhibition of binding to human placental Cytochrome P450 19A1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL27769" "Tclin" "Homo sapiens" +"androstanolone" 3927 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 9.74 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL27769" "Tchem" "Homo sapiens" +"androstanolone" 3927 "Androgen receptor" "Transcription factor" "P19091" "Ar" "ANDR_MOUSE" 9 "IC50" "Displacement of [3H] ]5alpha-DHT from mouse androgen receptor expressed in monkey COS7 cells after 2 hrs by scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL27769" "Mus musculus" +"androstanolone" 3927 "Glucocorticoid receptor" "Transcription factor" "P06536" "Nr3c1" "GCR_RAT" 4.7 "IC50" "Displacement of [3H]dexamethasone from Sprague-Dawley rat GR by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL27769" "Rattus norvegicus" +"androstanolone" 3927 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 9.57 "Ki" "Binding affinity to rat androgen receptor by competitive inhibition assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL27769" "Rattus norvegicus" +"androstanolone" 3927 "Mineralocorticoid receptor" "Transcription factor" "P22199" "Nr3c2" "MCR_RAT" 5.68 "IC50" "Displacement of [3H]aldosterone from Sprague-Dawley rat MR by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL27769" "Rattus norvegicus" +"androstanolone" 3927 "Progesterone receptor" "Transcription factor" "P06186" "PGR" "PRGR_RABIT" 6.36 "IC50" "Displacement of [3H]progesterone from rabbit PR by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL27769" "Oryctolagus cuniculus" +"androstanolone" 3927 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 9.7 "Ki" "Displacement of [3H]DHT from human androgen receptor expressed in MDA-MB-453 cells by whole cell receptor binding assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL27769" "Tclin" "Homo sapiens" +"androstanolone" 3927 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 5.92 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL27769" "Tbio" "Homo sapiens" +"dolasetron" 3931 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.2255 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"dolasetron" 3931 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 7.69831895828247 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/1397053" "http://www.ncbi.nlm.nih.gov/pubmed/1397053" "ANTAGONIST" "Tclin" "Homo sapiens" +"etoposide phosphate" 3944 "DNA topoisomerase 2-alpha" "Enzyme" "P11388" "TOP2A" "TOP2A_HUMAN" "Mechanism of Action; CHEMBL1806; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200645" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200645" "INHIBITOR" "Tclin" "Homo sapiens" +"guanabenz" 3952 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.823908741 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL420" "AGONIST" "Tclin" "Homo sapiens" +"guanabenz" 3952 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.927750102 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"guanabenz" 3952 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.950781977 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"guanabenz" 3952 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.207608311 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"guanabenz" 3952 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.970616222 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"guanabenz" 3952 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.167491087 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL420" "AGONIST" "Tclin" "Homo sapiens" +"guanabenz" 3952 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.793174124 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL420" "AGONIST" "Tclin" "Homo sapiens" +"guanabenz" 3952 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.801342913 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"guanabenz" 3952 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 5.747875447 "IC50" "DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"guanabenz" 3952 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.122053048 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"guanabenz" 3952 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 8.77 "IC50" "50% inhibition of specific [3H]clonidine binding (0.4 nM) to Alpha-2 adrenergic receptors in rat isolated brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL420" "Rattus norvegicus" +"guanabenz" 3952 "Nischarin" "Membrane receptor" "Q9Y2I1" "NISCH" "NISCH_HUMAN" 7.46 "Ki" "Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL420" "Tclin" "Homo sapiens" +"guanabenz" 3952 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.68 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL420" "Rattus norvegicus" +"guanabenz" 3952 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 6.41 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL420" "Rattus norvegicus" +"hydrocortisone butyrate" 3959 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action; CHEMBL2034; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1683" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1683" "AGONIST" "Tclin" "Homo sapiens" +"ilaprazole" 3961 "Potassium-transporting ATPase" "Transporter" "P20648|P51164" "ATP4A|ATP4B" "ATP4A_HUMAN|ATP4B_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/11304936" "http://www.ncbi.nlm.nih.gov/pubmed/11304936" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"ivermectin" 3972 "SARS-CoV-2" "Virus" 5.69 "IC50" "Activity determined against Vero/hSLAM cell" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/32251768" "INHIBITOR" +"ivermectin" 3972 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.646391479 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ivermectin" 3972 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.659575716 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ivermectin" 3972 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.407279327 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ivermectin" 3972 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.124765054 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ivermectin" 3972 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.924197646 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ivermectin" 3972 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.891096872 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ivermectin" 3972 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.586331494 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ivermectin" 3972 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.244353781 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ivermectin" 3972 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.451033544 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"ivermectin" 3972 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 6.538501473 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"ivermectin" 3972 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 7 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"ivermectin" 3972 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P36544" "CHRNA7" "ACHA7_HUMAN" 5.1 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2373" "ALLOSTERIC MODULATOR" "Tchem" "Homo sapiens" +"ivermectin" 3972 "Glycine Receptor" "Ion channel" "O75311|P23415|P23416|P48167" "GLRA1|GLRA2|GLRA3|GLRB" "GLRA1_HUMAN|GLRA2_HUMAN|GLRA3_HUMAN|GLRB_HUMAN" 6.40000009536743 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2373" "AGONIST" "Tchem|Tchem|Tclin|Tclin" "Homo sapiens" +"ivermectin" 3972 "Bile acid receptor" "Nuclear hormone receptor" "Q96RI1" "NR1H4" "NR1H4_HUMAN" 6.59 "IC50" "Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200633" "Tclin" "Homo sapiens" +"ivermectin" 3972 "Glutamate-gated chloride channel" "Ion channel" "P91730" "GLUCB_HAECO" "Mechanism of Action; CHEMBL2363050; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200633" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200633" "MODULATOR" "Haemonchus contortus" +"ivermectin" 3972 "Glutamate-gated chloride channel" "Ion channel" "Q25634" "GluClX" "Q25634_ONCVO" "Mechanism of Action; CHEMBL2363051; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200633" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200633" "MODULATOR" "Onchocerca volvulus" +"ivermectin" 3972 "Sodium/potassium-transporting ATPase subunit alpha-1" "Unclassified" "P06685" "Atp1a1" "AT1A1_RAT" 5.08 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200633" "Rattus norvegicus" +"ivermectin" 3972 "Sarcoplasmic/endoplasmic reticulum calcium ATPase 2" "Unclassified" "P11507" "Atp2a2" "AT2A2_RAT" 5.17 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200633" "Rattus norvegicus" +"ivermectin" 3972 "Sarcoplasmic/endoplasmic reticulum calcium ATPase 1" "Unclassified" "Q64578" "Atp2a1" "AT2A1_RAT" 4.77 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200633" "Rattus norvegicus" +"ivermectin" 3972 "P2X purinoceptor 4" "Unclassified" "P51577" "P2rx4" "P2RX4_RAT" 6.6 "EC50" "IUPHAR" "~" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2373" "ALLOSTERIC MODULATOR" "Rattus norvegicus" +"kinetin" 3976 "Endochitinase" "Enzyme" "P29029" "CTS1" "CHIT_YEAST" 5.49 "Ki" "Inhibition of Saccharomyces cerevisiae CTS1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL228792" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"kojic acid" 3977 "D-amino-acid oxidase" "Enzyme" "P14920" "DAO" "OXDA_HUMAN" 5.7 "IC50" "Inhibition of human recombinant DAAO expressed in HEK293 cell lysate assessed as D-Serine conversion to H2O2 after 20 mins by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL287556" "Tchem" "Homo sapiens" +"kojic acid" 3977 "D-amino-acid oxidase" "Unclassified" "P00371" "DAO" "OXDA_PIG" 4.68 "Ki" "Competitive inhibition of pig kidney DAAO using D-Alanine as substrate by Michaelis-Menten plot analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL287556" "Sus scrofa" +"kojic acid" 3977 "Tyrosinase" "Unclassified" "P11344" "Tyr" "TYRO_MOUSE" 4.21 "IC50" "Inhibition of catecholase activity of tyrosinase in mouse B16 cells assessed as dopachrome formation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL287556" "Mus musculus" +"kojic acid" 3977 "Polyphenol oxidase 2" "Enzyme" "O42713" "PPO2" "PPO2_AGABI" 4.65 "Ki" "Inhibition of mashroom tyrosinase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL287556" "Agaricus bisporus" +"kojic acid" 3977 "Tyrosinase" "Enzyme" "P14679" "TYR" "TYRO_HUMAN" 5.13 "IC50" "Inhibition of Tyrosinase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL287556" "Tclin" "Homo sapiens" +"meldonium" 3995 "Gamma-butyrobetaine dioxygenase" "Enzyme" "O75936" "BBOX1" "BODG_HUMAN" 4.8 "Ki" "Inhibition of BBOX (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104708" "Tchem" "Homo sapiens" +"niperotidine" 4002 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "CAROPPO, R, EFFECT OF NIPEROTIDINE ON HYDROGEN-ION SECRETION AND ELECTRICAL PARAMETERS OF ISOLATED ASTRIC-MUCOSA, Curr. Ther. Res.-Clin. Exp., 1990, 48, 1, 20-29" "CAROPPO, R, EFFECT OF NIPEROTIDINE ON HYDROGEN-ION SECRETION AND ELECTRICAL PARAMETERS OF ISOLATED ASTRIC-MUCOSA, Curr. Ther. Res.-Clin. Exp., 1990, 48, 1, 20-29" "ANTAGONIST" "Tclin" "Homo sapiens" +"mozavaptan" 4004 "Vasopressin V1b receptor" "GPCR" "P47901" "AVPR1B" "V1BR_HUMAN" 4.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2197" "ANTAGONIST" "Tclin" "Homo sapiens" +"mozavaptan" 4004 "Vasopressin V2 receptor" "GPCR" "Q00788" "Avpr2" "V2R_RAT" 7.92 "IC50" "Displacement of [3H]-AVP from its AVP-V2 receptor binding site in rat kidney" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL106229" "Rattus norvegicus" +"mozavaptan" 4004 "Oxytocin receptor" "GPCR" "P30559" "OXTR" "OXYR_HUMAN" 6.18 "Ki" "Binding affinity to oxytocin receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL106229" "Tclin" "Homo sapiens" +"mozavaptan" 4004 "Vasopressin V2 receptor" "GPCR" "P30518" "AVPR2" "V2R_HUMAN" 8.03 "Ki" "Concentration which inhibit [3H]AVP binding to human Vasopressin V2 receptor coded HeLa cells by 50%" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL106229" "http://www.ncbi.nlm.nih.gov/pubmed/1387020" "ANTAGONIST" "Tclin" "Homo sapiens" +"mozavaptan" 4004 "Vasopressin V1a receptor" "GPCR" "P37288" "AVPR1A" "V1AR_HUMAN" 6.71 "Ki" "Binding affinity to vasopressin V1a receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL106229" "Tclin" "Homo sapiens" +"mozavaptan" 4004 "Vasopressin V1a receptor" "GPCR" "P30560" "Avpr1a" "V1AR_RAT" 5.85 "IC50" "Displacement of [3H]AVP from AVP-V1a receptor binding site in rat liver" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL106229" "Rattus norvegicus" +"mozavaptan" 4004 "Vasopressin V1 receptor" "GPCR" "P30560|P48974" "Avpr1a|Avpr1b" "V1AR_RAT|V1BR_RAT" 5.3 "IC50" "Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL106229" "Rattus norvegicus" +"oxitriptan" 4006 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 8.67000007629395 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL350221" "Tclin" "Homo sapiens" +"oxitriptan" 4006 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 9.03999996185303 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL350221" "Tclin" "Homo sapiens" +"oxitriptan" 4006 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.89 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL350221" "Tclin" "Homo sapiens" +"spaglumic acid" 4050 "Metabotropic glutamate receptor 3" "GPCR" "Q14832" "GRM3" "GRM3_HUMAN" 4.7 "Ki" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" +"baicalin" 4055 "GABA-A receptor; anion channel" "Ion channel" "O00591|O14764|P14867|P18505|P18507|P28472|P31644|P34903|P47869|P47870|P48169|P78334|Q16445|Q8N1C3|Q99928|Q9UN88" "GABRA1|GABRA2|GABRA3|GABRA4|GABRA5|GABRA6|GABRB1|GABRB2|GABRB3|GABRD|GABRE|GABRG1|GABRG2|GABRG3|GABRP|GABRQ" "GBRA1_HUMAN|GBRA2_HUMAN|GBRA3_HUMAN|GBRA4_HUMAN|GBRA5_HUMAN|GBRA6_HUMAN|GBRB1_HUMAN|GBRB2_HUMAN|GBRB3_HUMAN|GBRD_HUMAN|GBRE_HUMAN|GBRG1_HUMAN|GBRG2_HUMAN|GBRG3_HUMAN|GBRP_HUMAN|GBRT_HUMAN" 4.11 "Ki" "Binding affinity towards benzodiazepine site in GABAA receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL485818" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"baicalin" 4055 "Prolyl endopeptidase" "Enzyme" "P48147" "PREP" "PPCE_HUMAN" 4.92 "IC50" "Inhibition of human brain prolyl oligopeptidase expressed in Escherichia coli" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL485818" "Tchem" "Homo sapiens" +"baicalin" 4055 "Cyclin-dependent kinase 1" "Kinase" "P06493" "CDK1" "CDK1_HUMAN" 4.84 "IC50" "Inhibition of Cdk1/cyclin B" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL485818" "Tchem" "Homo sapiens" +"timolol" 4061 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.809668302 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"timolol" 4061 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 6.469800302 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"timolol" 4061 "Beta-2 adrenergic receptor" "GPCR" "Q8K4Z4" "Adrb2" "ADRB2_CAVPO" 9.78 "Kd" "In vitro inhibitory activity against beta-2 adrenoceptor was measured by the inhibition of isoproterenol-induced relaxation of PGF2-alpha contracted guinea pig trachea" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL499" "Cavia porcellus" +"timolol" 4061 "Beta-1 adrenergic receptor" "GPCR" "B0FL73" "ADRB1" "B0FL73_CAVPO" 9.44 "Kd" "In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea pig atrial preparations" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL499" "Cavia porcellus" +"timolol" 4061 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 9.7 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL499" "ANTAGONIST" "Tclin" "Homo sapiens" +"timolol" 4061 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 9 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL499" "ANTAGONIST" "Tclin" "Homo sapiens" +"timolol" 4061 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.21 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL499" "Rattus norvegicus" +"tirilazad" 4063 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 4.8074883 "Ki" "DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tirilazad" 4063 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.242603971 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tirilazad" 4063 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 4.928965325 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tirilazad" 4063 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.424812155 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tirilazad" 4063 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 4.857485395 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tirilazad" 4063 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 5.940058112 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tirilazad" 4063 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 4.690433704 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tirilazad" 4063 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 4.801727902 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tirilazad" 4063 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.952335805 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tirilazad" 4063 "Mitogen-activated protein kinase 3" "Kinase" "P27361" "MAPK3" "MK03_HUMAN" 4.788826043 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"tirilazad" 4063 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 5.130416292 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"ascorbic acid" 4072 "Solute carrier family 23 member 1" "Unclassified" "Q9UHI7" "SLC23A1" "S23A1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"ascorbic acid" 4072 "Solute carrier family 23 member 2" "Transporter" "Q9UGH3" "SLC23A2" "S23A2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"ascorbic acid" 4072 "Procollagen-lysine,2-oxoglutarate 5-dioxygenase 1" "Enzyme" "Q02809" "PLOD1" "PLOD1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"ascorbic acid" 4072 "Prolyl 4-hydroxylase subunit alpha-1" "Enzyme" "P13674" "P4HA1" "P4HA1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"ascorbic acid" 4072 "Tyrosinase" "Enzyme" "P14679" "TYR" "TYRO_HUMAN" 4.48999977111816 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL196" "Tclin" "Homo sapiens" +"ascorbic acid" 4072 "Pancreatic alpha-amylase" "Unclassified" "P00689" "Amy2" "AMYP_RAT" 4.58 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL196" "Rattus norvegicus" +"minodronic acid" 4074 "Geranylgeranyl pyrophosphate synthase" "Enzyme" "Q12051" "BTS1" "GGPPS_YEAST" 6.89 "Ki" "Binding affinity to Saccharomyces cerevisiae GGPPS" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL319144" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"minodronic acid" 4074 "Farnesyl pyrophosphate synthase" "Enzyme" "P14324" "FDPS" "FPPS_HUMAN" 8.52 "IC50" "Inhibition of human FPPS after 10 mins using [14C]IPP as substrate by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL319144" "Tclin" "Homo sapiens" +"minodronic acid" 4074 "Geranylgeranyl pyrophosphate synthase" "Enzyme" "O95749" "GGPS1" "GGPPS_HUMAN" 5.74 "Ki" "Binding affinity to human GGPPS" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL319144" "Tchem" "Homo sapiens" +"minodronic acid" 4074 "Farnesyl diphosphate synthase" "Enzyme" "P22939" "ispA" "ISPA_ECOLI" 5.96 "IC50" "Inhibition of Escherichia coli FPPS" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL319144" "Escherichia coli (strain K12)" +"levamlodipine" 4099 "Voltage-gated L-type calcium channel" "Ion channel" "Q01668|Q13936" "CACNA1C|CACNA1D" "CAC1C_HUMAN|CAC1D_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/17213004" "http://www.ncbi.nlm.nih.gov/pubmed/17213004" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"sucralfate" 4106 "Pepsin A-5" "Enzyme" "P0DJD9" "PGA5" "PEPA5_HUMAN" "Mechanism of Action; CHEMBL3295; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2367706" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2367706" "INHIBITOR" "Tclin" "Homo sapiens" +"zinostatin" 4108 "DNA" "DNA" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/7527033" "OTHER" +"dronabinol" 4109 "Transient receptor potential cation channel subfamily A member 1" "Ion channel" "O75762" "TRPA1" "TRPA1_HUMAN" 4.9 "EC50" "IUPHAR" "=" "ACTIVATOR" "Tclin" "Homo sapiens" +"dronabinol" 4109 "G-protein coupled receptor 55" "GPCR" "Q9Y2T6" "GPR55" "GPR55_HUMAN" 4.85 "IC50" "Antagonist activity at human GPR55 transfected in CHO cells assessed as inhibition of LPI-induced beta-arrestin recruitment incubated 60 mins prior to LPI addition by beta-arrestin translocation assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL465" "Tclin" "Homo sapiens" +"dronabinol" 4109 "Cannabinoid receptor 2" "GPCR" "P34972" "CNR2" "CNR2_HUMAN" 8.48 "Ki" "Binding affinity to human CB2 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL465" "Tchem" "Homo sapiens" +"dronabinol" 4109 "Cannabinoid receptor" "GPCR" "P21554|P34972" "CNR1|CNR2" "CNR1_HUMAN|CNR2_HUMAN" 7.39 "Ki" "Binding affinity was determined in vitro against cannabinoid receptor by ability to displace [3H]CP-55940" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL465" "Tchem|Tclin" "Homo sapiens" +"dronabinol" 4109 "N-arachidonyl glycine receptor" "GPCR" "Q14330" "GPR18" "GPR18_HUMAN" 6.02 "EC50" "Agonist activity at human GPR18 expressed in HEK203 cells by MAP kinase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL465" "Tbio" "Homo sapiens" +"dronabinol" 4109 "Cannabinoid receptor 1" "GPCR" "P21554" "CNR1" "CNR1_HUMAN" 8.54 "Ki" "Displacement of [3H]CP-55940 from human CB1 receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL465" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL465" "AGONIST" "Tclin" "Homo sapiens" +"dronabinol" 4109 "Cannabinoid receptor 1" "GPCR" "P47746" "Cnr1" "CNR1_MOUSE" 7.4 "Ki" "Binding affinity to mouse CB1 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL465" "Mus musculus" +"dronabinol" 4109 "Cannabinoid receptor 1" "GPCR" "P20272" "Cnr1" "CNR1_RAT" 7.43 "Ki" "Binding affinity for cannabinoid receptor 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL465" "Rattus norvegicus" +"dronabinol" 4109 "Cannabinoid receptor 2" "GPCR" "P47936" "Cnr2" "CNR2_MOUSE" 8.04 "Ki" "Binding affinity to mouse CB2 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL465" "Mus musculus" +"dronabinol" 4109 "Cannabinoid receptor" "GPCR" "P20272|Q9QZN9" "Cnr1|Cnr2" "CNR1_RAT|CNR2_RAT" 7.34 "Ki" "Compound was evaluated for the competitive inhibition of [3H]3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-ol to cannabinoid receptor from synaptosomal membranes of rat whole brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL465" "Rattus norvegicus" +"dronabinol" 4109 "Glycine receptor subunit alpha-2" "Ion channel" "P23416" "GLRA2" "GLRA2_HUMAN" 6 "EC50" "IUPHAR" "~" "ALLOSTERIC MODULATOR" "Tchem" "Homo sapiens" +"dronabinol" 4109 "Glycine receptor subunit alpha-3" "Ion channel" "O75311" "GLRA3" "GLRA3_HUMAN" 5.3 "EC50" "IUPHAR" "~" "ALLOSTERIC MODULATOR" "Tchem" "Homo sapiens" +"dronabinol" 4109 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 5.8899998664856 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL465" "Tclin" "Homo sapiens" +"dronabinol" 4109 "Transient receptor potential cation channel subfamily V member 2" "Unclassified" "Q9WUD2" "Trpv2" "TRPV2_RAT" 4.85 "EC50" "IUPHAR" "=" "ACTIVATOR" "Rattus norvegicus" +"tolvaptan" 4110 "Vasopressin V2 receptor" "GPCR" "P30518" "AVPR2" "V2R_HUMAN" 9 "Ki" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/022275s014lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"tolvaptan" 4110 "Vasopressin V1a receptor" "GPCR" "P37288" "AVPR1A" "V1AR_HUMAN" 7.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2226" "ANTAGONIST" "Tclin" "Homo sapiens" +"tolvaptan" 4110 "Vasopressin V1a receptor" "GPCR" "P30560" "Avpr1a" "V1AR_RAT" 6.5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2226" "ANTAGONIST" "Rattus norvegicus" +"tolvaptan" 4110 "Vasopressin V2 receptor" "GPCR" "Q00788" "Avpr2" "V2R_RAT" 8.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2226" "ANTAGONIST" "Rattus norvegicus" +"besifloxacin" 4111 "Topoisomerase IV" "Enzyme" "P0AFI2|P20083" "parC|parE" "PARC_ECOLI|PARE_ECOLI" "Mechanism of Action; CHEMBL2363076; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201760" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201760" "INHIBITOR" "Escherichia coli (strain K12)" +"besifloxacin" 4111 "DNA gyrase" "Enzyme" "P0AES4|P0AES6" "gyrA|gyrB" "GYRA_ECOLI|GYRB_ECOLI" "Mechanism of Action; CHEMBL2311224; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201760" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201760" "INHIBITOR" "Escherichia coli (strain K12)" +"dronedarone" 4112 "Potassium voltage-gated channel subfamily A member 5" "Ion channel" "P22460" "KCNA5" "KCNA5_HUMAN" 5.63 "IC50" "Inhibition of human Kv1.5 channel expressed in HEK293 cells by whole cell patch clamp assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL184412" "Tclin" "Homo sapiens" +"dronedarone" 4112 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.5 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL184412" "Tclin" "Homo sapiens" +"dronedarone" 4112 "Potassium voltage-gated channel subfamily KQT member 2" "Ion channel" "O43526" "KCNQ2" "KCNQ2_HUMAN" 8 "IC50" "WOMBAT-PK" "=" "BLOCKER" "Tclin" "Homo sapiens" +"dronedarone" 4112 "Voltage-dependent calcium channel gamma-1 subunit" "Ion channel" "Q06432" "CACNG1" "CCG1_HUMAN" 6.69897 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"dronedarone" 4112 "THAP domain-containing protein 1" "Unclassified" "Q9NVV9" "THAP1" "THAP1_HUMAN" 4.2291 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" +"dronedarone" 4112 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1" "Ion channel" "O60741" "HCN1" "HCN1_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/23647933" "http://www.ncbi.nlm.nih.gov/pubmed/23647933" "BLOCKER" "Tclin" "Homo sapiens" +"dronedarone" 4112 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2" "Ion channel" "Q9UL51" "HCN2" "HCN2_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/23647933" "http://www.ncbi.nlm.nih.gov/pubmed/23647933" "BLOCKER" "Tclin" "Homo sapiens" +"dronedarone" 4112 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 3" "Ion channel" "Q9P1Z3" "HCN3" "HCN3_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/23647933" "http://www.ncbi.nlm.nih.gov/pubmed/23647933" "BLOCKER" "Tclin" "Homo sapiens" +"dronedarone" 4112 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4" "Ion channel" "Q9Y3Q4" "HCN4" "HCN4_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/23647933" "http://www.ncbi.nlm.nih.gov/pubmed/23647933" "BLOCKER" "Tclin" "Homo sapiens" +"dronedarone" 4112 "Thyroid hormone receptor alpha" "Nuclear hormone receptor" "P10827" "THRA" "THA_HUMAN" 4.2291 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"prasugrel" 4113 "P2Y purinoceptor 12" "GPCR" "Q9H244" "P2RY12" "P2Y12_HUMAN" "UNKNOWN" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201772" "ANTAGONIST" "Tclin" "Homo sapiens" +"saxagliptin" 4114 "Dipeptidyl peptidase 4" "Enzyme" "P27487" "DPP4" "DPP4_HUMAN" 9.22 "Ki" "Inhibition of human DPP4 expressed in Caco-2 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL385517" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL385517" "INHIBITOR" "Tclin" "Homo sapiens" +"saxagliptin" 4114 "Dipeptidyl peptidase 8" "Enzyme" "Q6V1X1" "DPP8" "DPP8_HUMAN" 6.89 "Ki" "Inhibition of DPP8" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL385517" "Tchem" "Homo sapiens" +"saxagliptin" 4114 "Dipeptidyl peptidase 9" "Enzyme" "Q86TI2" "DPP9" "DPP9_HUMAN" 7.15 "Ki" "Inhibition of DPP9" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL385517" "Tchem" "Homo sapiens" +"saxagliptin" 4114 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"saxagliptin" 4114 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"asenapine" 4115 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 8.408935393 "Ki" "PDSP" "Tclin" "Homo sapiens" +"asenapine" 4115 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 8.187086643 "Ki" "PDSP" "Tclin" "Homo sapiens" +"asenapine" 4115 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.61 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201756" "ANTAGONIST" "Tclin" "Homo sapiens" +"asenapine" 4115 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.75 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201756" "ANTAGONIST" "Tclin" "Homo sapiens" +"asenapine" 4115 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 8.6 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"asenapine" 4115 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.71 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"asenapine" 4115 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 8.4 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"asenapine" 4115 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 8.21 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"asenapine" 4115 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 9 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"asenapine" 4115 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.06 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"asenapine" 4115 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 8.73 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"asenapine" 4115 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.92 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"asenapine" 4115 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 9.47 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"asenapine" 4115 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 9.22 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" +"asenapine" 4115 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 9.93 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"asenapine" 4115 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 9.8 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"asenapine" 4115 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.97 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"asenapine" 4115 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 8.7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"asenapine" 4115 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.886056648 "Ki" "PDSP" "Tclin" "Homo sapiens" +"asenapine" 4115 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 7.643974143 "Ki" "PDSP" "Tchem" "Homo sapiens" +"asenapine" 4115 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.565431096 "Ki" "PDSP" "Tclin" "Homo sapiens" +"asenapine" 4115 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 6.349109922 "Ki" "PDSP" "Tclin" "Homo sapiens" +"asenapine" 4115 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.106793247 "Ki" "PDSP" "Tclin" "Homo sapiens" +"asenapine" 4115 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.038578906 "Ki" "PDSP" "Tclin" "Homo sapiens" +"asenapine" 4115 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.503623946 "Ki" "PDSP" "Tclin" "Homo sapiens" +"asenapine" 4115 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.490528648 "Ki" "PDSP" "Tclin" "Homo sapiens" +"asenapine" 4115 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.301029996 "Ki" "PDSP" "Tclin" "Homo sapiens" +"asenapine" 4115 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.301029996 "Ki" "PDSP" "Tclin" "Homo sapiens" +"asenapine" 4115 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=22" "AGONIST" "Tchem" "Homo sapiens" +"asenapine" 4115 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 8.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=22" "AGONIST" "Tclin" "Homo sapiens" +"pralatrexate" 4117 "Dihydrofolate reductase" "Enzyme" "P00374" "DHFR" "DYR_HUMAN" 7.35 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6840" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201746" "INHIBITOR" "Tclin" "Homo sapiens" +"pazopanib" 4118 "Mitogen-activated protein kinase 10" "Kinase" "P53779" "MAPK10" "MK10_HUMAN" 5.72 "Kd" "Binding constant for JNK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 6.42 "Kd" "Binding constant for ABL1(H396P)-non phosphorylated kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tclin" "Homo sapiens" +"pazopanib" 4118 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 6.13 "Kd" "Binding constant for FLT3(K663Q) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tclin" "Homo sapiens" +"pazopanib" 4118 "Phosphatidylinositol 4-kinase beta" "Kinase" "Q9UBF8" "PI4KB" "PI4KB_HUMAN" 6.02 "Kd" "Binding constant for PIK4CB kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Vascular endothelial growth factor receptor 1" "Kinase" "P17948" "FLT1" "VGFR1_HUMAN" 7.85 "Kd" "Binding constant for FLT1 kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "INHIBITOR" "Tclin" "Homo sapiens" +"pazopanib" 4118 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 5.55 "Kd" "Binding constant for SRC kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tclin" "Homo sapiens" +"pazopanib" 4118 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 7.85 "Kd" "Binding constant for VEGFR2 kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "INHIBITOR" "Tclin" "Homo sapiens" +"pazopanib" 4118 "Fibroblast growth factor receptor 3" "Kinase" "P22607" "FGFR3" "FGFR3_HUMAN" 6.21 "Kd" "Binding constant for FGFR3(G697C) kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "INHIBITOR" "Tclin" "Homo sapiens" +"pazopanib" 4118 "Calcium/calmodulin-dependent protein kinase type 1" "Kinase" "Q14012" "CAMK1" "KCC1A_HUMAN" 5.68 "Kd" "Binding constant for full-length CAMK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Fibroblast growth factor receptor 4" "Kinase" "P22455" "FGFR4" "FGFR4_HUMAN" 5.55 "Kd" "Binding constant for FGFR4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tclin" "Homo sapiens" +"pazopanib" 4118 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 8.31 "Kd" "Binding constant for PDGFRA kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "INHIBITOR" "Tclin" "Homo sapiens" +"pazopanib" 4118 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 5.7 "Kd" "Binding constant for MET kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tclin" "Homo sapiens" +"pazopanib" 4118 "Receptor-interacting serine/threonine-protein kinase 2" "Kinase" "O43353" "RIPK2" "RIPK2_HUMAN" 6.24 "Kd" "Binding constant for RIPK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 5.77 "Kd" "Binding constant for JAK2(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tclin" "Homo sapiens" +"pazopanib" 4118 "MAP/microtubule affinity-regulating kinase 3" "Kinase" "P27448" "MARK3" "MARK3_HUMAN" 5.4 "Kd" "Binding constant for full-length MARK3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Cyclin-G-associated kinase" "Kinase" "O14976" "GAK" "GAK_HUMAN" 6.7 "Kd" "Binding constant for GAK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Aurora kinase A" "Kinase" "O14965" "AURKA" "AURKA_HUMAN" 5.15 "Kd" "Binding constant for AURKA kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Dual specificity mitogen-activated protein kinase kinase 5" "Kinase" "Q13163" "MAP2K5" "MP2K5_HUMAN" 6.32 "Kd" "Binding constant for MEK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Tyrosine-protein kinase SYK" "Kinase" "P43405" "SYK" "KSYK_HUMAN" 5.33 "Kd" "Binding constant for SYK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tclin" "Homo sapiens" +"pazopanib" 4118 "RAF proto-oncogene serine/threonine-protein kinase" "Kinase" "P04049" "RAF1" "RAF1_HUMAN" 6.05 "Kd" "Binding constant for RAF1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tclin" "Homo sapiens" +"pazopanib" 4118 "Interferon-induced, double-stranded RNA-activated protein kinase" "Kinase" "P19525" "EIF2AK2" "E2AK2_HUMAN" 5.72 "Kd" "Binding constant for PRKR kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tbio" "Homo sapiens" +"pazopanib" 4118 "Cyclin-dependent kinase 11B" "Kinase" "P21127" "CDK11B" "CD11B_HUMAN" 5.68 "Kd" "Binding constant for CDC2L1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tbio" "Homo sapiens" +"pazopanib" 4118 "Mitogen-activated protein kinase kinase kinase kinase 1" "Kinase" "Q92918" "MAP4K1" "M4K1_HUMAN" 6.12 "Kd" "Binding constant for MAP4K1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Serine/threonine-protein kinase B-raf" "Kinase" "P15056" "BRAF" "BRAF_HUMAN" 6.37 "Kd" "Binding constant for BRAF(V600E) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tclin" "Homo sapiens" +"pazopanib" 4118 "Tyrosine-protein kinase Fgr" "Kinase" "P09769" "FGR" "FGR_HUMAN" 5.8 "Kd" "Binding constant for FGR kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Tyrosine-protein kinase FRK" "Kinase" "P42685" "FRK" "FRK_HUMAN" 6.12 "Kd" "Binding constant for FRK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Dual specificity protein kinase TTK" "Kinase" "P33981" "TTK" "TTK_HUMAN" 6.82 "Kd" "Binding constant for TTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 7.08 "Kd" "Binding constant for LOK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Tyrosine-protein kinase Fer" "Kinase" "P16591" "FER" "FER_HUMAN" 5.57 "Kd" "Binding constant for FER kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tclin" "Homo sapiens" +"pazopanib" 4118 "Serine/threonine-protein kinase 16" "Kinase" "O75716" "STK16" "STK16_HUMAN" 6.44 "Kd" "Binding constant for STK16 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Serine/threonine-protein kinase PLK4" "Kinase" "O00444" "PLK4" "PLK4_HUMAN" 6.54 "Kd" "Binding constant for PLK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "AP2-associated protein kinase 1" "Kinase" "Q2M2I8" "AAK1" "AAK1_HUMAN" 5.54 "Kd" "Binding constant for AAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 5.16 "Kd" "Binding constant for JAK3(Kin.Dom.2/JH1 - catalytic) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tclin" "Homo sapiens" +"pazopanib" 4118 "Tyrosine-protein kinase Yes" "Kinase" "P07947" "YES1" "YES_HUMAN" 5.3 "Kd" "Binding constant for YES kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tclin" "Homo sapiens" +"pazopanib" 4118 "Serine/threonine-protein kinase TAO1" "Kinase" "Q7L7X3" "TAOK1" "TAOK1_HUMAN" 6.62 "Kd" "Binding constant for TAOK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tbio" "Homo sapiens" +"pazopanib" 4118 "Tyrosine-protein kinase HCK" "Kinase" "P08631" "HCK" "HCK_HUMAN" 5.24 "Kd" "Binding constant for HCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tclin" "Homo sapiens" +"pazopanib" 4118 "Aurora kinase C" "Kinase" "Q9UQB9" "AURKC" "AURKC_HUMAN" 6.12 "Kd" "Binding constant for full-length AURKC" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 8.7 "Kd" "Binding constant for PDGFRB kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "INHIBITOR" "Tclin" "Homo sapiens" +"pazopanib" 4118 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 6 "Kd" "Binding constant for FGFR1 kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "INHIBITOR" "Tclin" "Homo sapiens" +"pazopanib" 4118 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" 6.68 "Kd" "Binding constant for FGFR2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tclin" "Homo sapiens" +"pazopanib" 4118 "Mitogen-activated protein kinase kinase kinase 10" "Kinase" "Q02779" "MAP3K10" "M3K10_HUMAN" 5.68 "Kd" "Binding constant for MLK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Mitogen-activated protein kinase kinase kinase kinase 5" "Kinase" "Q9Y4K4" "MAP4K5" "M4K5_HUMAN" 5.52 "Kd" "Binding constant for MAP4K5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma" "Kinase" "Q8TBX8" "PIP4K2C" "PI42C_HUMAN" 6.55 "Kd" "Binding constant for PIP5K2C kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tbio" "Homo sapiens" +"pazopanib" 4118 "Serine/threonine-protein kinase 36" "Kinase" "Q9NRP7" "STK36" "STK36_HUMAN" 6.33 "Kd" "Binding constant for STK36 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tbio" "Homo sapiens" +"pazopanib" 4118 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 8.74 "Kd" "Binding constant for KIT(L576P) kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "INHIBITOR" "Tclin" "Homo sapiens" +"pazopanib" 4118 "BMP-2-inducible protein kinase" "Kinase" "Q9NSY1" "BMP2K" "BMP2K_HUMAN" 5.06 "Kd" "Binding constant for BIKE kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Mitogen-activated protein kinase kinase kinase 11" "Kinase" "Q16584" "MAP3K11" "M3K11_HUMAN" 6.13 "Kd" "Binding constant for MLK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "TRAF2 and NCK-interacting protein kinase" "Kinase" "Q9UKE5" "TNIK" "TNIK_HUMAN" 6.51 "Kd" "Binding constant for TNIK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "STE20-like serine/threonine-protein kinase" "Kinase" "Q9H2G2" "SLK" "SLK_HUMAN" 6.62 "Kd" "Binding constant for SLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Bone morphogenetic protein receptor type-1B" "Kinase" "O00238" "BMPR1B" "BMR1B_HUMAN" 6 "Kd" "Binding constant for BMPR1B kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tbio" "Homo sapiens" +"pazopanib" 4118 "Non-receptor tyrosine-protein kinase TYK2" "Kinase" "P29597" "TYK2" "TYK2_HUMAN" 5.47 "Kd" "Binding constant for TYK2(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tclin" "Homo sapiens" +"pazopanib" 4118 "Interleukin-1 receptor-associated kinase 1" "Kinase" "P51617" "IRAK1" "IRAK1_HUMAN" 5.23 "Kd" "Binding constant for IRAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Protein-tyrosine kinase 6" "Kinase" "Q13882" "PTK6" "PTK6_HUMAN" 5.64 "Kd" "Binding constant for PTK6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Calcium/calmodulin-dependent protein kinase type 1G" "Kinase" "Q96NX5" "CAMK1G" "KCC1G_HUMAN" 5.43 "Kd" "Binding constant for CAMK1G kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Serine/threonine-protein kinase TAO2" "Kinase" "Q9UL54" "TAOK2" "TAOK2_HUMAN" 5.74 "Kd" "Binding constant for TAOK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tbio" "Homo sapiens" +"pazopanib" 4118 "Serine/threonine-protein kinase Nek2" "Kinase" "P51955" "NEK2" "NEK2_HUMAN" 6.01 "Kd" "Binding constant for NEK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 6.05 "Kd" "Binding constant for LYN kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tclin" "Homo sapiens" +"pazopanib" 4118 "LIM domain kinase 1" "Kinase" "P53667" "LIMK1" "LIMK1_HUMAN" 6.14 "Kd" "Binding constant for full-length LIMK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Mitogen-activated protein kinase kinase kinase kinase 3" "Kinase" "Q8IVH8" "MAP4K3" "M4K3_HUMAN" 5.8 "Kd" "Binding constant for MAP4K3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Cyclin-dependent kinase 16" "Kinase" "Q00536" "CDK16" "CDK16_HUMAN" 5.92 "Kd" "Binding constant for PCTK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Serine/threonine-protein kinase Nek5" "Kinase" "Q6P3R8" "NEK5" "NEK5_HUMAN" 5.14 "Kd" "Binding constant for NEK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tdark" "Homo sapiens" +"pazopanib" 4118 "Interleukin-1 receptor-associated kinase 3" "Kinase" "Q9Y616" "IRAK3" "IRAK3_HUMAN" 6.1 "Kd" "Binding constant for IRAK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Mitogen-activated protein kinase kinase kinase 2" "Kinase" "Q9Y2U5" "MAP3K2" "M3K2_HUMAN" 6.54 "Kd" "Binding constant for MAP3K2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Abelson tyrosine-protein kinase 2" "Kinase" "P42684" "ABL2" "ABL2_HUMAN" 5.52 "Kd" "Binding constant for ABL2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Activin receptor type-2B" "Kinase" "Q13705" "ACVR2B" "AVR2B_HUMAN" 5.62 "Kd" "Binding constant for ACVR2B kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Tyrosine-protein kinase Blk" "Kinase" "P51451" "BLK" "BLK_HUMAN" 5.59 "Kd" "Binding constant for BLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 5.48 "Kd" "Binding constant for TIE2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tclin" "Homo sapiens" +"pazopanib" 4118 "Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma" "Kinase" "O60331" "PIP5K1C" "PI51C_HUMAN" 5.72 "Kd" "Binding constant for PIP5K1C kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tbio" "Homo sapiens" +"pazopanib" 4118 "Proto-oncogene tyrosine-protein kinase ROS" "Kinase" "P08922" "ROS1" "ROS1_HUMAN" 6.04 "Kd" "Binding constant for ROS1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tclin" "Homo sapiens" +"pazopanib" 4118 "Calcium-dependent protein kinase 1" "Kinase" "P62344" "CPK1" "CDPK1_PLAF7" 6.43 "Kd" "Binding constant for PFCDPK1(P.falciparum) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Plasmodium falciparum" +"pazopanib" 4118 "Ephrin type-B receptor 6" "Kinase" "O15197" "EPHB6" "EPHB6_HUMAN" 7.09 "Kd" "Binding constant for EPHB6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Mitogen-activated protein kinase 8" "Kinase" "P45983" "MAPK8" "MK08_HUMAN" 5.7 "Kd" "Binding constant for JNK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Serine/threonine-protein kinase SIK2" "Kinase" "Q9H0K1" "SIK2" "SIK2_HUMAN" 5.14 "Kd" "Binding constant for full-length SNF1LK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Serine/threonine-protein kinase TAO3" "Kinase" "Q9H2K8" "TAOK3" "TAOK3_HUMAN" 7.35 "Kd" "Binding constant for TAOK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tbio" "Homo sapiens" +"pazopanib" 4118 "Tyrosine-protein kinase Srms" "Kinase" "Q9H3Y6" "SRMS" "SRMS_HUMAN" 5.6 "Kd" "Binding constant for SRMS kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Mitogen-activated protein kinase kinase kinase 1" "Kinase" "Q13233" "MAP3K1" "M3K1_HUMAN" 5.54 "Kd" "Binding constant for MAP3K1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tbio" "Homo sapiens" +"pazopanib" 4118 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.57 "Kd" "Binding constant for FYN kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tclin" "Homo sapiens" +"pazopanib" 4118 "Macrophage colony-stimulating factor 1 receptor" "Kinase" "P07333" "CSF1R" "CSF1R_HUMAN" 8.1 "Kd" "Binding constant for CSF1R kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "INHIBITOR" "Tclin" "Homo sapiens" +"pazopanib" 4118 "Vascular endothelial growth factor receptor 3" "Kinase" "P35916" "FLT4" "VGFR3_HUMAN" 7.57 "Kd" "Binding constant for FLT4 kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "INHIBITOR" "Tclin" "Homo sapiens" +"pazopanib" 4118 "Discoidin domain-containing receptor 2" "Kinase" "Q16832" "DDR2" "DDR2_HUMAN" 7.01 "Kd" "Binding constant for DDR2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Tyrosine-protein kinase receptor Tie-1" "Kinase" "P35590" "TIE1" "TIE1_HUMAN" 6.15 "Kd" "Binding constant for TIE1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "TGF-beta receptor type-2" "Kinase" "P37173" "TGFBR2" "TGFR2_HUMAN" 5.52 "Kd" "Binding constant for TGFBR2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 6.57 "Kd" "Binding constant for RET(M918T) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tclin" "Homo sapiens" +"pazopanib" 4118 "Epithelial discoidin domain-containing receptor 1" "Kinase" "Q08345" "DDR1" "DDR1_HUMAN" 7.24 "Kd" "Binding constant for DDR1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Mitogen-activated protein kinase kinase kinase kinase 4" "Kinase" "O95819" "MAP4K4" "M4K4_HUMAN" 5.66 "Kd" "Binding constant for MAP4K4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Tyrosine-protein kinase Fes/Fps" "Kinase" "P07332" "FES" "FES_HUMAN" 5.85 "Kd" "Binding constant for FES kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tclin" "Homo sapiens" +"pazopanib" 4118 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 5.92 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "INHIBITOR" "Tclin" "Homo sapiens" +"pazopanib" 4118 "Myosin light chain kinase 2, skeletal/cardiac muscle" "Kinase" "Q9H1R3" "MYLK2" "MYLK2_HUMAN" 5.7 "Kd" "Binding constant for MYLK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tbio" "Homo sapiens" +"pazopanib" 4118 "Mitogen-activated protein kinase kinase kinase 9" "Kinase" "P80192" "MAP3K9" "M3K9_HUMAN" 6.54 "Kd" "Binding constant for MLK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Leukocyte tyrosine kinase receptor" "Kinase" "P29376" "LTK" "LTK_HUMAN" 5.17 "Kd" "Binding constant for LTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tclin" "Homo sapiens" +"pazopanib" 4118 "Mitogen-activated protein kinase kinase kinase 19" "Kinase" "Q56UN5" "MAP3K19" "M3K19_HUMAN" 6.03 "Kd" "Binding constant for YSK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Dual specificity mitogen-activated protein kinase kinase 4" "Kinase" "P45985" "MAP2K4" "MP2K4_HUMAN" 6.23 "Kd" "Binding constant for MEK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Tyrosine-protein kinase TXK" "Kinase" "P42681" "TXK" "TXK_HUMAN" 5.59 "Kd" "Binding constant for TXK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Dual specificity mitogen-activated protein kinase kinase 6" "Kinase" "P52564" "MAP2K6" "MP2K6_HUMAN" 5.39 "Kd" "Binding constant for MEK6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "LIM domain kinase 2" "Kinase" "P53671" "LIMK2" "LIMK2_HUMAN" 6.41 "Kd" "Binding constant for full-length LIMK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "ALK tyrosine kinase receptor" "Kinase" "Q9UM73" "ALK" "ALK_HUMAN" 5.66 "Kd" "Binding constant for ALK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tclin" "Homo sapiens" +"pazopanib" 4118 "Receptor-interacting serine/threonine-protein kinase 1" "Kinase" "Q13546" "RIPK1" "RIPK1_HUMAN" 6.59 "Kd" "Binding constant for RIPK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Cyclin-dependent kinase 11A" "Kinase" "Q9UQ88" "CDK11A" "CD11A_HUMAN" 5.89 "Kd" "Binding constant for CDC2L2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tbio" "Homo sapiens" +"pazopanib" 4118 "Serine/threonine-protein kinase RIO2" "Kinase" "Q9BVS4" "RIOK2" "RIOK2_HUMAN" 6.21 "Kd" "Binding constant for RIOK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tbio" "Homo sapiens" +"pazopanib" 4118 "Serine/threonine-protein kinase NLK" "Kinase" "Q9UBE8" "NLK" "NLK_HUMAN" 5.36 "Kd" "Binding constant for full-length NLK" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Mitogen-activated protein kinase kinase kinase kinase 2" "Kinase" "Q12851" "MAP4K2" "M4K2_HUMAN" 5.57 "Kd" "Binding constant for MAP4K2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Serine/threonine-protein kinase SIK1" "Kinase" "P57059" "SIK1" "SIK1_HUMAN" 5.66 "Kd" "Binding constant for SNF1LK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Tyrosine-protein kinase Mer" "Kinase" "Q12866" "MERTK" "MERTK_HUMAN" 5.48 "Kd" "Binding constant for MERTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Non-receptor tyrosine-protein kinase TNK1" "Kinase" "Q13470" "TNK1" "TNK1_HUMAN" 6.01 "Kd" "Binding constant for full-length TNK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "Tchem" "Homo sapiens" +"pazopanib" 4118 "Tyrosine-protein kinase ITK/TSK" "Kinase" "Q08881" "ITK" "ITK_HUMAN" "Mechanism of Action; CHEMBL2959; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477772" "INHIBITOR" "Tclin" "Homo sapiens" +"romidepsin" 4119 "Histone deacetylase" "Enzyme" "O15379|P56524|Q13547|Q8WUI4|Q92769|Q969S8|Q96DB2|Q9BY41|Q9UBN7|Q9UKV0|Q9UQL6" "HDAC1|HDAC10|HDAC11|HDAC2|HDAC3|HDAC4|HDAC5|HDAC6|HDAC7|HDAC8|HDAC9" "HDA10_HUMAN|HDA11_HUMAN|HDAC1_HUMAN|HDAC2_HUMAN|HDAC3_HUMAN|HDAC4_HUMAN|HDAC5_HUMAN|HDAC6_HUMAN|HDAC7_HUMAN|HDAC8_HUMAN|HDAC9_HUMAN" 5.96 "Ki" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7006" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/022393s013lbl.pdf" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"romidepsin" 4119 "Histone deacetylase 4" "Enzyme" "P56524" "HDAC4" "HDAC4_HUMAN" 6.2924 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"romidepsin" 4119 "Histone deacetylase 7" "Enzyme" "Q8WUI4" "HDAC7" "HDAC7_HUMAN" 5.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7006" "INHIBITOR" "Tclin" "Homo sapiens" +"romidepsin" 4119 "Histone deacetylase 6" "Enzyme" "Q9UBN7" "HDAC6" "HDAC6_HUMAN" 6.5227 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"romidepsin" 4119 "Histone deacetylase 3" "Enzyme" "O15379" "HDAC3" "HDAC3_HUMAN" 7.6038 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"romidepsin" 4119 "Histone deacetylase 1" "Enzyme" "Q13547" "HDAC1" "HDAC1_HUMAN" 7 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"romidepsin" 4119 "Histone deacetylase 2" "Enzyme" "Q92769" "HDAC2" "HDAC2_HUMAN" 7.3279 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"romidepsin" 4119 "Histone deacetylase 9" "Enzyme" "Q9UKV0" "HDAC9" "HDAC9_HUMAN" 5.96 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7006" "INHIBITOR" "Tclin" "Homo sapiens" +"romidepsin" 4119 "Histone deacetylase 5" "Enzyme" "Q9UQL6" "HDAC5" "HDAC5_HUMAN" 6.26 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7006" "INHIBITOR" "Tclin" "Homo sapiens" +"romidepsin" 4119 "Histone deacetylase 8" "Enzyme" "Q9BY41" "HDAC8" "HDAC8_HUMAN" 9.82 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7006" "INHIBITOR" "Tclin" "Homo sapiens" +"romidepsin" 4119 "Histone deacetylase 6" "Unclassified" "Q9Z2V5" "Hdac6" "HDAC6_MOUSE" 6.41 "IC50" "Inhibition of mouse HDAC6 using Ac-KGLGK(Ac)-MCA as substrate after 30 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL343448" "Mus musculus" +"romidepsin" 4119 "Histone deacetylase 3/NCoR1" "Transcription factor" "O15379|O75376" "HDAC3|NCOR1" "HDAC3_HUMAN|NCOR1_HUMAN" 9.81999969482422 "Ki" "Inhibition of GST-tagged recombinant human HDAC3/NcoR1 enzyme using flurogenic Ac-LeuGlyLys (Ac)-AMC as substrate after 15 to 30 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL343448" "Tchem|Tclin" "Homo sapiens" +"romidepsin" 4119 "Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)" "Transcription factor" "O15379|Q9Y618" "HDAC3|NCOR2" "HDAC3_HUMAN|NCOR2_HUMAN" 7.73999977111816 "IC50" "Inhibition of recombinant human HDAC3/NCOR2 using Boc-L-Lys(epsilon-trifluoroacetyl)-AMC as substrate by two-step fluorogenic assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL343448" "Tchem|Tclin" "Homo sapiens" +"dexfosfoserine" 4120 "Metabotropic glutamate receptor 8" "GPCR" "O00222" "GRM8" "GRM8_HUMAN" 7.2 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1411" "AGONIST" "Tchem" "Homo sapiens" +"dexfosfoserine" 4120 "Metabotropic glutamate receptor 6" "GPCR" "O15303" "GRM6" "GRM6_HUMAN" 6.4 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1411" "AGONIST" "Tbio" "Homo sapiens" +"dexfosfoserine" 4120 "Metabotropic glutamate receptor 7" "GPCR" "Q14831" "GRM7" "GRM7_HUMAN" 4.5 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1411" "AGONIST" "Tbio" "Homo sapiens" +"dexfosfoserine" 4120 "Metabotropic glutamate receptor 4" "GPCR" "P31423" "Grm4" "GRM4_RAT" 5.4 "EC50" "Concentration for half maximal activation of metabotropic glutamate mGluR4a in rat" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL284377" "Rattus norvegicus" +"dexfosfoserine" 4120 "Metabotropic glutamate receptor 4" "GPCR" "Q14833" "GRM4" "GRM4_HUMAN" 6 "EC50" "Agonistic activity at Metabotropic glutamate receptor 4 expressed in mammalian cells by GTPgammaS binding assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL284377" "Tchem" "Homo sapiens" +"dexfosfoserine" 4120 "Metabotropic glutamate receptor 6" "GPCR" "P35349" "Grm6" "GRM6_RAT" 5.57 "EC50" "Concentration for half maximal activation of metabotropic glutamate mGluR6 in rat" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL284377" "Rattus norvegicus" +"auranofin" 4122 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.480172006 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"auranofin" 4122 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.440093375 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"auranofin" 4122 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.649751982 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"auranofin" 4122 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 6.222573178 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"auranofin" 4122 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 6.020451625 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"auranofin" 4122 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 6.404503778 "Ki" "DRUGMATRIX: Dopamine D4.2 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"auranofin" 4122 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.92190585 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"auranofin" 4122 "Thioredoxin reductase 1, cytoplasmic" "Enzyme" "Q16881" "TXNRD1" "TRXR1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"auranofin" 4122 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"auranofin" 4122 "Transient receptor potential cation channel subfamily A member 1" "Ion channel" "O75762" "TRPA1" "TRPA1_HUMAN" 6 "EC50" "Calcium imaging" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6306" "ACTIVATOR" "Tclin" "Homo sapiens" +"lubiprostone" 4123 "Chloride channel protein 2" "Ion channel" "P51788" "CLCN2" "CLCN2_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB01046" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201134" "OPENER" "Tclin" "Homo sapiens" +"vorinostat" 4124 "Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)" "Transcription factor" "O15379|Q9Y618" "HDAC3|NCOR2" "HDAC3_HUMAN|NCOR2_HUMAN" 8.7 "Ki" "Displacement of fluorescent 5-(3-(3-(4-((4-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)phenylamino)methyl)-1H-1,2,3-triazol-1-yl)propyl)thioureido)-2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid from human HDAC3/NcoR2 by fluorescence polarization assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL98" "Tchem|Tclin" "Homo sapiens" +"vorinostat" 4124 "Histone deacetylase-like amidohydrolase" "Enzyme" "Q70I53" "hdaH" "HDAH_ALCSD" 6.52 "Kd" "Inhibition of Bordetella FB188 HDAH using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL98" "Alcaligenes sp. (strain DSM 11172)" +"vorinostat" 4124 "Histone deacetylase 10" "Enzyme" "Q969S8" "HDAC10" "HDA10_HUMAN" 7.3 "Ki" "Inhibition of HDAC10" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL98" "Tclin" "Homo sapiens" +"vorinostat" 4124 "Histone deacetylase" "Enzyme" "Q9ZTP8" "hd1b" "Q9ZTP8_MAIZE" 7.55 "IC50" "Inhibition of maize HD1B" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL98" "Zea mays" +"vorinostat" 4124 "Histone deacetylase 11" "Enzyme" "Q96DB2" "HDAC11" "HDA11_HUMAN" 7.89 "Ki" "Inhibition of recombinant human HDAC11 enzyme using Ac-LeuGlyLys(Ac)-AMC as substrate after 15 to 30 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL98" "Tclin" "Homo sapiens" +"vorinostat" 4124 "Histone deacetylase" "Enzyme" "O15379|P56524|Q13547|Q8WUI4|Q92769|Q969S8|Q96DB2|Q9BY41|Q9UBN7|Q9UKV0|Q9UQL6" "HDAC1|HDAC10|HDAC11|HDAC2|HDAC3|HDAC4|HDAC5|HDAC6|HDAC7|HDAC8|HDAC9" "HDA10_HUMAN|HDA11_HUMAN|HDAC1_HUMAN|HDAC2_HUMAN|HDAC3_HUMAN|HDAC4_HUMAN|HDAC5_HUMAN|HDAC6_HUMAN|HDAC7_HUMAN|HDAC8_HUMAN|HDAC9_HUMAN" 8 "IC50" "Inhibitory activity against Histone deacetylase (HDAC) in K 562 erythroleukemia cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL98" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"vorinostat" 4124 "Histone deacetylase 8" "Enzyme" "Q9BY41" "HDAC8" "HDAC8_HUMAN" 6.76 "Ki" "Competitive inhibition of HDAC8 using KI-104 as substrate by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL98" "Tclin" "Homo sapiens" +"vorinostat" 4124 "Histone deacetylase 1/3/5/8" "Enzyme" "O15379|Q13547|Q9BY41|Q9UQL6" "HDAC1|HDAC3|HDAC5|HDAC8" "HDAC1_HUMAN|HDAC3_HUMAN|HDAC5_HUMAN|HDAC8_HUMAN" 6.96 "IC50" "Inhibition of HDAC1/3/5/8 in human HeLa cell extract using Boc-Lys-(acetyl)-AMC as substrate incubated for 5 mins prior to substrate addition measured after 30 mins by fluorometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL98" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"vorinostat" 4124 "Histone deacetylase 3/NCoR1" "Transcription factor" "O15379|O75376" "HDAC3|NCOR1" "HDAC3_HUMAN|NCOR1_HUMAN" 7.92 "Ki" "Inhibition of GST-tagged recombinant human HDAC3/NcoR1 enzyme using flurogenic Ac-LeuGlyLys (Ac)-AMC as substrate after 15 to 30 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL98" "Tchem|Tclin" "Homo sapiens" +"vorinostat" 4124 "Lysine-specific demethylase 4E" "Enzyme" "B2RXH2" "KDM4E" "KDM4E_HUMAN" 4.85 "IC50" "Inhibition of JMJD2E pre-incubated for 30 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL98" "Tchem" "Homo sapiens" +"vorinostat" 4124 "Histone deacetylase" "Enzyme" "Q7K6A1" "PfHDAC1" "Q7K6A1_PLAF7" 7 "IC50" "Inhibition of Plasmodium falciparum 3D7 histone deacetylase infected in human erythrocytes assessed as alteration of histone H3 acetylation after 3.5 hrs by SDS-PAGE" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL98" "Plasmodium falciparum" +"vorinostat" 4124 "Histone deacetylase 9" "Enzyme" "Q9UKV0" "HDAC9" "HDAC9_HUMAN" 7.31 "Ki" "Competitive inhibition of HDAC9 using KI-104 as substrate by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL98" "Tclin" "Homo sapiens" +"vorinostat" 4124 "Histone deacetylase 6" "Enzyme" "Q9UBN7" "HDAC6" "HDAC6_HUMAN" 9 "Ki" "Displacement of fluorescent 5-(3-(3-(4-((4-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)phenylamino)methyl)-1H-1,2,3-triazol-1-yl)propyl)thioureido)-2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid from human HDAC6 by fluorescence polarization assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL98" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL98" "INHIBITOR" "Tclin" "Homo sapiens" +"vorinostat" 4124 "Histone deacetylase 1" "Enzyme" "Q13547" "HDAC1" "HDAC1_HUMAN" 8.89 "Ki" "Inhibition of human HDAC1" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL98" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL98" "INHIBITOR" "Tclin" "Homo sapiens" +"vorinostat" 4124 "Histone deacetylase 4" "Enzyme" "P56524" "HDAC4" "HDAC4_HUMAN" 7.8 "Ki" "Inhibition of HDAC4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL98" "Tclin" "Homo sapiens" +"vorinostat" 4124 "Histone deacetylase 3" "Enzyme" "O15379" "HDAC3" "HDAC3_HUMAN" 8.3 "Ki" "Inhibition of human HDAC3" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL98" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL98" "INHIBITOR" "Tclin" "Homo sapiens" +"vorinostat" 4124 "Histone deacetylase 1" "Enzyme" "O09106" "Hdac1" "HDAC1_MOUSE" 6.95 "IC50" "In vitro for anti-HDAC1 (Histone deacetylase 1) activity in mouse A20 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL98" "Mus musculus" +"vorinostat" 4124 "Histone deacetylase 2" "Enzyme" "Q92769" "HDAC2" "HDAC2_HUMAN" 8.8 "Ki" "Inhibition of human HDAC2" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL98" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL98" "INHIBITOR" "Tclin" "Homo sapiens" +"vorinostat" 4124 "Histone deacetylase" "Enzyme" "Q9XYC7" "HDAC1" "Q9XYC7_PLAFA" 7.23 "IC50" "Inhibition of Plasmodium falciparum HDAC1 expressed in Drosophila melanogaster S2 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL98" "Plasmodium falciparum" +"vorinostat" 4124 "Histone deacetylase 5" "Enzyme" "Q9UQL6" "HDAC5" "HDAC5_HUMAN" 7.48 "Ki" "Inhibition of HDAC5" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL98" "Tclin" "Homo sapiens" +"vorinostat" 4124 "Histone deacetylase (HDAC1 and HDAC2)" "Enzyme" "Q13547|Q92769" "HDAC1|HDAC2" "HDAC1_HUMAN|HDAC2_HUMAN" 8 "IC50" "Inhibition of human histone deacetylase (mixture of HDAC1 and HDAC2) prepared from K562 erythroleukemia cells." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL98" "Tclin|Tclin" "Homo sapiens" +"vorinostat" 4124 "HD2 type histone deacetylase HDA106; Histone deacetylase 2b; Uncharacterized protein" "Enzyme" "Q94F81" "hda106" "Q94F81_MAIZE" 7.3 "IC50" "In vitro for anti-HD2 (Histone deacetylase 2) activity in maize" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL98" "Zea mays" +"vorinostat" 4124 "Histone deacetylase" "Enzyme" "B1WBY8|Q4QQW4|Q5RJZ2|Q6P6W3|Q99P96|Q99P97|Q99P99" "Hdac1|Hdac2|Hdac3|Hdac4|Hdac5|Hdac6|Hdac7" "B1WBY8_RAT|HDAC1_RAT|HDAC3_RAT|HDAC4_RAT|HDAC7_RAT|Q5RJZ2_RAT|Q99P97_RAT" 6.78 "IC50" "Inhibitory concentration against rat liver Histone deacetylase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL98" "Rattus norvegicus" +"vorinostat" 4124 "Histone deacetylase 7" "Enzyme" "Q8WUI4" "HDAC7" "HDAC7_HUMAN" 6.89 "Ki" "Competitive inhibition of HDAC7 using KI-104 as substrate by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL98" "Tclin" "Homo sapiens" +"proline" 4125 "Glutamate receptor ionotropic, NMDA 1" "Ion channel" "P35439" "Grin1" "NMDZ1_RAT" 4.76 "IC50" "Inhibitory concentration required to inhibit [3H]strychnine binding to N-methyl-D-aspartate glutamate receptor 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54922" "Rattus norvegicus" +"proline" 4125 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 4.07000017166138 "Ki" "Inhibition of ACE (unknown origin) assessed as 3-Hydroxybutyril-glycil-glycil-glycine conversion to 3-hydroxybutyric acid after 60 mins by WST assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54922" "Tclin" "Homo sapiens" +"serine" 4127 "Gamma-glutamyltranspeptidase 1" "Unclassified" "P07314" "Ggt1" "GGT1_RAT" 4.3 "Ki" "Inhibition of Rattus norvegicus Wistar (rat) rat Gamma-glutamyltranspeptidase using L-gamma-glutamyl-p-nitroanilide as substrate incubated for 15 min prior to substrate addition by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11298" "Rattus norvegicus" +"serine" 4127 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 7.82 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11298" "Electrophorus electricus" +"serine" 4127 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 7.8 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11298" "Equus caballus" +"carboplatin" 4133 "DNA" "DNA" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2010/020452s005lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2010/020452s005lbl.pdf" "CROSS-LINKING AGENT" +"pyridoxal" 4134 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 4.52 "Ki" "Tested for its ability to inhibit rabbit liver aldehyde oxidase catalyzed oxidation of N-methyl-nicotinamide (NMN)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL102970" "Tbio" "Homo sapiens" +"lisdexamfetamine" 4135 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" "DRUGBANK" 1 "CHEMBL" "http://www.drugbank.ca/drugs/DB01255" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201178" "RELEASING AGENT" "Tclin" "Homo sapiens" +"lisdexamfetamine" 4135 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" "Mechanism of Action; CHEMBL222; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201178" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201178" "RELEASING AGENT" "Tclin" "Homo sapiens" +"lisdexamfetamine" 4135 "Synaptic vesicular amine transporter" "Transporter" "Q05940" "SLC18A2" "VMAT2_HUMAN" "Mechanism of Action; CHEMBL1893; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201178" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201178" "INHIBITOR" "Tclin" "Homo sapiens" +"paliperidone" 4137 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 5.06058073043823 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"paliperidone" 4137 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.617262840271 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"paliperidone" 4137 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 6.5561113357544 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"paliperidone" 4137 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P43115" "PTGER3" "PE2R3_HUMAN" 5 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"paliperidone" 4137 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.20859003067017 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"paliperidone" 4137 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.04575729370117 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"paliperidone" 4137 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 9.1549015045166 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"paliperidone" 4137 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.25103759765625 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"paliperidone" 4137 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 8.56863594055176 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"paliperidone" 4137 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.42980766296387 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"paliperidone" 4137 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 5.99139976501465 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"paliperidone" 4137 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.31875896453857 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"paliperidone" 4137 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.95860767364502 "Ki" "PDSP" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021999s029lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"paliperidone" 4137 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.63827228546143 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"paliperidone" 4137 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 7.72124624252319 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"paliperidone" 4137 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.91649723052979 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"paliperidone" 4137 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 7.53760194778442 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"paliperidone" 4137 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.26520013809204 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" +"paliperidone" 4137 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.38684558868408 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"paliperidone" 4137 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 8.19520282745361 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"paliperidone" 4137 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.63549852371216 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"paliperidone" 4137 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.4700288772583 "Ki" "PDSP" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021999s029lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"paliperidone" 4137 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.92539024353027 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"paliperidone" 4137 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.21767902374268 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" +"paliperidone" 4137 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.5528 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"paliperidone" 4137 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.301029996 "Ki" "PDSP" "Tclin" "Homo sapiens" +"paliperidone" 4137 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.301029996 "Ki" "PDSP" "Tclin" "Homo sapiens" +"paliperidone" 4137 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.89 "IC50" "Inhibition of human ERG channel" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1621" "Tclin" "Homo sapiens" +"gentian violet" 4138 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 6.059981845 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"gentian violet" 4138 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.809388202 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"gentian violet" 4138 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.97510404 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"gentian violet" 4138 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 5.723768042 "Ki" "DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"gentian violet" 4138 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.696803943 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"gentian violet" 4138 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.439650931 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"gentian violet" 4138 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.124360063 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"gentian violet" 4138 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.241088108 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"gentian violet" 4138 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.549750892 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"gentian violet" 4138 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.944621669 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"gentian violet" 4138 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.578396073 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"gentian violet" 4138 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.294136288 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"gentian violet" 4138 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.037157319 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"gentian violet" 4138 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.853871964 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"gentian violet" 4138 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.415668776 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"gentian violet" 4138 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.562249437 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"gentian violet" 4138 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.490394295 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"gentian violet" 4138 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.083862017 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"gentian violet" 4138 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.628009089 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"gentian violet" 4138 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.01188716 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"gentian violet" 4138 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 6.210419288 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"gentian violet" 4138 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 5.233066906 "IC50" "DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"gentian violet" 4138 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 6.325138859 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"gentian violet" 4138 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.667965723 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"gentian violet" 4138 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 6.251811973 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"gentian violet" 4138 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.430275051 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"gentian violet" 4138 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 5.701146924 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"udenafil" 4141 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"udenafil" 4141 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "O76074" "PDE5A" "PDE5A_HUMAN" 8.08354568481445 "IC50" "PDE5 activity in human platelets" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/12510841" "http://www.ncbi.nlm.nih.gov/pubmed/12510841" "INHIBITOR" "Tclin" "Homo sapiens" +"sulfadiazine silver" 4142 "Aurora kinase A" "Kinase" "O14965" "AURKA" "AURKA_HUMAN" 4.68 "IC50" "Inhibition of aurora kinase A" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL439" "Tchem" "Homo sapiens" +"sulfadiazine silver" 4142 "Dihydropteroate synthase" "Enzyme" "P0AC13" "folP" "DHPS_ECOLI" "Mechanism of Action; CHEMBL2364668; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL439" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL439" "INHIBITOR" "Escherichia coli (strain K12)" +"darunavir" 4143 "Gag-Pol polyprotein" "Polyprotein" "P03367" "gag-pol" "POL_HV1BR" 9.6576 "Ki" "WOMBAT-PK" "=" "Human immunodeficiency virus type 1 group M subtype B (isolate BRU/LAI)" +"darunavir" 4143 "Pol polyprotein" "Enzyme" "Q72874" "pol" "Q72874_9HIV1" 10.85 "Ki" "Inhibition of HIV1 protease" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1323" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1323" "INHIBITOR" "Human immunodeficiency virus 1" +"darunavir" 4143 "Protease" "Enzyme" "Q9YQ12" "protease" "Q9YQ12_9HIV1" 10.21 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1323" "Human immunodeficiency virus 1" +"testosterone propionate" 4146 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 9.6 "Ki" "Displacement of [3H]DHT from human androgen receptor in MDA453 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1170" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1170" "AGONIST" "Tclin" "Homo sapiens" +"testosterone propionate" 4146 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.72 "IC50" "Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1170" "Rattus norvegicus" +"testosterone propionate" 4146 "Steroid 17-alpha-hydroxylase/17,20 lyase" "Enzyme" "P05093" "CYP17A1" "CP17A_HUMAN" 7.25 "IC50" "In vitro cytochrome P450 17A1 inhibition was assayed using the rapid acetic acid releasing assay (AARA), utilizing intact P450c17-expressing Escherichia coli or P450c17-LNCaP cells as the enzyme source." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1170" "Tclin" "Homo sapiens" +"doripenem" 4149 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL491571" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL491571" "INHIBITOR" "Escherichia coli (strain K12)" +"rimonabant" 4150 "Cannabinoid receptor 1" "GPCR" "P21554" "CNR1" "CNR1_HUMAN" 9.72 "Ki" "Antagonist activity against human CB1 receptor expressed in CHO-K1 cells by [35S]GTPgamma binding assay" "CHEMBL" "=" 1 "DRUG LABEL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL111" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/000666/WC500021287.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"rimonabant" 4150 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 4.6 "IC50" "Inhibition of human recombinant AChE expressed in HEK293 cells by photometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL111" "Tclin" "Homo sapiens" +"rimonabant" 4150 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.55 "IC50" "Inhibition of human ERG expressed in HEK293 cells assessed as inhibition of potassium channel current after 5 mins by patch clamp assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL111" "Tclin" "Homo sapiens" +"rimonabant" 4150 "Cannabinoid receptor 2" "GPCR" "P47936" "Cnr2" "CNR2_MOUSE" 6.43 "Ki" "Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen membrane by liquid scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL111" "Mus musculus" +"rimonabant" 4150 "G-protein coupled receptor 55" "GPCR" "Q9Y2T6" "GPR55" "GPR55_HUMAN" 5.7 "EC50" "Agonist activity at GPR55 (unknown origin) expressed in CHO cells assessed as inhibition of LPI-induced beta-arrestin translocation after 90 mins by luminescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL111" "Tclin" "Homo sapiens" +"rimonabant" 4150 "Cannabinoid receptor 2" "GPCR" "P34972" "CNR2" "CNR2_HUMAN" 8.96 "Ki" "Displacement of [3H]-CP-55940 from human CB2 receptor expressed in HEK293T cell membranes by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL111" "Tchem" "Homo sapiens" +"rimonabant" 4150 "N-arachidonyl glycine receptor" "GPCR" "Q14330" "GPR18" "GPR18_HUMAN" 5 "IC50" "Antagonist activity at human GPR18 transfected in CHO cells assessed as delta9-THC-induced beta-arrestin recruitment incubated 60 mins prior to delta9-THC addition by beta-arrestin translocation assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL111" "Tbio" "Homo sapiens" +"rimonabant" 4150 "Cannabinoid receptor 1" "GPCR" "P47746" "Cnr1" "CNR1_MOUSE" 8.82 "Ki" "Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain membrane without cerebellum by liquid scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL111" "Mus musculus" +"rimonabant" 4150 "Cannabinoid receptor 1" "GPCR" "P20272" "Cnr1" "CNR1_RAT" 9.51 "Ki" "Antagonist activity at rat CB1 receptor in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL111" "Rattus norvegicus" +"silodosin" 4151 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=493" "ANTAGONIST" "Tclin" "Homo sapiens" +"silodosin" 4151 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=493" "ANTAGONIST" "Tclin" "Homo sapiens" +"silodosin" 4151 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"silodosin" 4151 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 10.44 "Ki" "Binding constant measured against Alpha-1A adrenergic receptor in human prostate; +++:highly active" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24778" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24778" "ANTAGONIST" "Tclin" "Homo sapiens" +"permethrin" 4152 "Sodium channel protein" "Ion channel" "Q2VKV7" "vssc" "Q2VKV7_SARSC" "Mechanism of Action; CHEMBL2362985; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1525" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1525" "BLOCKER" "Sarcoptes scabiei type hominis" +"cabazitaxel" 4153 "Tubulin beta" "Tumour-associated antigen" "P04350|P07437|P68371|Q13509|Q13885|Q3ZCM7|Q9BUF5|Q9BVA1|Q9H4B7" "TUBB|TUBB1|TUBB2A|TUBB2B|TUBB3|TUBB4A|TUBB4B|TUBB6|TUBB8" "TBB1_HUMAN|TBB2A_HUMAN|TBB2B_HUMAN|TBB3_HUMAN|TBB4A_HUMAN|TBB4B_HUMAN|TBB5_HUMAN|TBB6_HUMAN|TBB8_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/23337758" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"edaravone" 4156 "reactive chemical species" "Reactive chemical species" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/19466525" "http://www.ncbi.nlm.nih.gov/pubmed/19466525" "OTHER" +"lercanidipine" 4157 "Voltage-gated L-type calcium channel" "Ion channel" "Q01668|Q13936" "CACNA1C|CACNA1D" "CAC1C_HUMAN|CAC1D_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/8821512" "http://www.ncbi.nlm.nih.gov/pubmed/8821512" "BLOCKER" "Tclin|Tclin" "Homo sapiens" +"temsirolimus" 4161 "Peptidyl-prolyl cis-trans isomerase FKBP3" "Enzyme" "Q00688" "FKBP3" "FKBP3_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"temsirolimus" 4161 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"temsirolimus" 4161 "Serine/threonine-protein kinase mTOR" "Kinase" "P42345" "MTOR" "MTOR_HUMAN" 5.75 "IC50" "Inhibition of FKBP12-independent human recombinant mTOR expressed in HEK293 cells using His6-S6K1 as a substrate by DELFIA assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201182" "Tclin" "Homo sapiens" +"temsirolimus" 4161 "Peptidyl-prolyl cis-trans isomerase FKBP1A" "Enzyme" "P62942" "FKBP1A" "FKB1A_HUMAN" "Mechanism of Action; CHEMBL1902; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201182" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201182" "INHIBITOR" "Tclin" "Homo sapiens" +"dexlansoprazole" 4162 "Potassium-transporting ATPase" "Transporter" "P20648|P51164" "ATP4A|ATP4B" "ATP4A_HUMAN|ATP4B_HUMAN" "Mechanism of Action; CHEMBL2095173; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201863" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201863" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"fampridine" 4163 "Voltage-gated potassium channel" "Ion channel" "O43525|O43526|O95259|P16389|P17658|P22001|P22459|P22460|P48547|P51787|P56696|Q03721|Q09470|Q12809|Q14003|Q14721|Q16322|Q6PIU1|Q8NCM2|Q8TAE7|Q8TDN1|Q8TDN2|Q92953|Q96KK3|Q96L42|Q96PR1|Q96RP8|Q9BQ31|Q9H252|Q9H3M0|Q9NR82|Q9NS40|Q9NSA2|Q9NZV8|Q9UIX4|Q9UJ96|Q9UK17|Q9ULD8|Q9ULS6|Q9UQ05" "KCNA1|KCNA10|KCNA2|KCNA3|KCNA4|KCNA5|KCNA6|KCNA7|KCNB1|KCNB2|KCNC1|KCNC2|KCNC3|KCNC4|KCND1|KCND2|KCND3|KCNF1|KCNG1|KCNG2|KCNG3|KCNG4|KCNH1|KCNH2|KCNH3|KCNH4|KCNH5|KCNH6|KCNH7|KCNH8|KCNQ1|KCNQ2|KCNQ3|KCNQ4|KCNQ5|KCNS1|KCNS2|KCNS3|KCNV1|KCNV2" "KCA10_HUMAN|KCNA1_HUMAN|KCNA2_HUMAN|KCNA3_HUMAN|KCNA4_HUMAN|KCNA5_HUMAN|KCNA6_HUMAN|KCNA7_HUMAN|KCNB1_HUMAN|KCNB2_HUMAN|KCNC1_HUMAN|KCNC2_HUMAN|KCNC3_HUMAN|KCNC4_HUMAN|KCND1_HUMAN|KCND2_HUMAN|KCND3_HUMAN|KCNF1_HUMAN|KCNG1_HUMAN|KCNG2_HUMAN|KCNG3_HUMAN|KCNG4_HUMAN|KCNH1_HUMAN|KCNH2_HUMAN|KCNH3_HUMAN|KCNH4_HUMAN|KCNH5_HUMAN|KCNH6_HUMAN|KCNH7_HUMAN|KCNH8_HUMAN|KCNQ1_HUMAN|KCNQ2_HUMAN|KCNQ3_HUMAN|KCNQ4_HUMAN|KCNQ5_HUMAN|KCNS1_HUMAN|KCNS2_HUMAN|KCNS3_HUMAN|KCNV1_HUMAN|KCNV2_HUMAN" "Mechanism of Action; CHEMBL2362996; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL284348" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL284348" "BLOCKER" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"fampridine" 4163 "Potassium voltage-gated channel subfamily C member 1" "Unclassified" "P15388" "Kcnc1" "KCNC1_MOUSE" 4.5 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2416" "BLOCKER" "Mus musculus" +"fampridine" 4163 "Potassium voltage-gated channel subfamily C member 2" "Unclassified" "P22462" "Kcnc2" "KCNC2_RAT" 4.6 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2416" "BLOCKER" "Rattus norvegicus" +"liraglutide" 4164 "Glucagon-like peptide 1 receptor" "GPCR" "P43220" "GLP1R" "GLP1R_HUMAN" 10.2 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201866" "AGONIST" "Tclin" "Homo sapiens" +"alcaftadine" 4165 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "Mechanism of Action; CHEMBL231; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201747" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201747" "ANTAGONIST" "Tclin" "Homo sapiens" +"ulipristal" 4166 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 9.7 "IC50" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7460" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7460" "ANTAGONIST" "Tclin" "Homo sapiens" +"fingolimod" 4167 "Sphingosine 1-phosphate receptor 3" "GPCR" "Q99500" "S1PR3" "S1PR3_HUMAN" 8.52 "EC50" "Agonist activity at S1P3 receptor (unknown origin)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL314854" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL314854" "AGONIST" "Tclin" "Homo sapiens" +"fingolimod" 4167 "Sphingosine 1-phosphate receptor 5" "GPCR" "Q9H228" "S1PR5" "S1PR5_HUMAN" 9.52 "EC50" "Agonist activity at S1P5 receptor (unknown origin)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL314854" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL314854" "AGONIST" "Tclin" "Homo sapiens" +"fingolimod" 4167 "Sphingosine-1-phosphate lyase 1" "Enzyme" "O95470" "SGPL1" "SGPL1_HUMAN" 4.77 "IC50" "Inhibition of human recombinant S1PL (62 to 568) expressed in Sf9 insect cells using S1P as substrate after 1 hr" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL314854" "Tchem" "Homo sapiens" +"fingolimod" 4167 "Sphingosine 1-phosphate receptor 4" "GPCR" "O95977" "S1PR4" "S1PR4_HUMAN" 9.52 "EC50" "Agonist activity at S1P4 receptor (unknown origin)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL314854" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL314854" "AGONIST" "Tclin" "Homo sapiens" +"fingolimod" 4167 "Sphingosine 1-phosphate receptor 1" "GPCR" "P21453" "S1PR1" "S1PR1_HUMAN" 9.52 "EC50" "Agonist activity at S1P1 receptor (unknown origin)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL314854" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL314854" "AGONIST" "Tclin" "Homo sapiens" +"fingolimod" 4167 "Transient receptor potential cation channel subfamily M member 7" "Unclassified" "Q923J1" "Trpm7" "TRPM7_MOUSE" 6.14 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2407" "BLOCKER" "Mus musculus" +"lurasidone" 4168 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.00261402130127 "Ki" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/200603s015lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"lurasidone" 4168 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.32790184020996 "Ki" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/200603s015lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"lurasidone" 4168 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 9.30539512634277 "Ki" "DRUG LABEL" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"lurasidone" 4168 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.96657609939575 "Ki" "antagonist with moderate affinity" "DRUG LABEL" "=" "Tclin" "Homo sapiens" +"lurasidone" 4168 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.1951789855957 "Ki" "partial agonist" "DRUG LABEL" "=" "Tclin" "Homo sapiens" +"lurasidone" 4168 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.39040565490723 "Ki" "antagonist" "DRUG LABEL" "=" "Tclin" "Homo sapiens" +"lurasidone" 4168 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 8.69 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7461" "ANTAGONIST" "Rattus norvegicus" +"lurasidone" 4168 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 8.17 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7461" "AGONIST" "Rattus norvegicus" +"lurasidone" 4168 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 8.77 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7461" "ANTAGONIST" "Rattus norvegicus" +"ceftaroline fosamil" 4169 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL501122" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL501122" "INHIBITOR" "Escherichia coli (strain K12)" +"tesamorelin" 4170 "Growth hormone-releasing hormone receptor" "GPCR" "Q02643" "GHRHR" "GHRHR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/022505s004lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/022505s004lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"eribulin" 4171 "Tubulin beta" "Tumour-associated antigen" "P04350|P07437|P68371|Q13509|Q13885|Q3ZCM7|Q9BUF5|Q9BVA1|Q9H4B7" "TUBB|TUBB1|TUBB2A|TUBB2B|TUBB3|TUBB4A|TUBB4B|TUBB6|TUBB8" "TBB1_HUMAN|TBB2A_HUMAN|TBB2B_HUMAN|TBB3_HUMAN|TBB4A_HUMAN|TBB4B_HUMAN|TBB5_HUMAN|TBB6_HUMAN|TBB8_HUMAN" 8.22999954223633 "IC50" "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6813" "http://www.ncbi.nlm.nih.gov/pubmed/19010832" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"boceprevir" 4172 "Hepatitis C virus serine protease, NS3/NS4A" "Enzyme" "A3EZI9|D2K2A8" "NS3|NS4A" "A3EZI9_9HEPC|D2K2A8_9HEPC" 8.95860767364502 "Ki" "Inhibition of HCV 1a NS3/4A protease" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218394" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218394" "INHIBITOR" "Hepatitis C virus" +"boceprevir" 4172 "Lysosomal protective protein" "Enzyme" "P10619" "CTSA" "PPGB_HUMAN" 6 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7876" "INHIBITOR" "Tchem" "Homo sapiens" +"boceprevir" 4172 "Cathepsin F" "Enzyme" "Q9UBX1" "CTSF" "CATF_HUMAN" 5.96 "IC50" "Inhibition of human Cathepsin F" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218394" "Tchem" "Homo sapiens" +"boceprevir" 4172 "Cathepsin K" "Enzyme" "P43235" "CTSK" "CATK_HUMAN" 7.4 "IC50" "Inhibition of human Cathepsin K" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218394" "Tchem" "Homo sapiens" +"boceprevir" 4172 "Cathepsin B" "Enzyme" "P07858" "CTSB" "CATB_HUMAN" 5.21 "IC50" "Inhibition of human CatB after 60 mins fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218394" "Tchem" "Homo sapiens" +"boceprevir" 4172 "Cathepsin L2" "Enzyme" "O60911" "CTSV" "CATL2_HUMAN" 7.12 "IC50" "Inhibition of human Cathepsin V" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218394" "Tchem" "Homo sapiens" +"boceprevir" 4172 "Neutrophil elastase" "Enzyme" "P08246" "ELANE" "ELNE_HUMAN" 4.77 "IC50" "Inhibition of human leukocyte elastase after 60 mins fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218394" "Tclin" "Homo sapiens" +"boceprevir" 4172 "Chymase" "Enzyme" "P23946" "CMA1" "CMA1_HUMAN" 7.49 "IC50" "Inhibition of human Chymase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218394" "Tchem" "Homo sapiens" +"boceprevir" 4172 "Cathepsin S" "Enzyme" "P25774" "CTSS" "CATS_HUMAN" 6.92 "IC50" "Inhibition of human Cathepsin S" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218394" "Tchem" "Homo sapiens" +"boceprevir" 4172 "Cathepsin L1" "Enzyme" "P07711" "CTSL" "CATL1_HUMAN" 6.12 "IC50" "Inhibition of human Cathepsin L" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218394" "Tclin" "Homo sapiens" +"boceprevir" 4172 "Nonstructural protein NS3-4A" "Unclassified" "A0A0K1CY61" "A0A0K1CY61_9HEPC" 7.85 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218394" "Hepatitis C virus" +"telaprevir" 4173 "Lysosomal protective protein" "Enzyme" "P10619" "CTSA" "PPGB_HUMAN" 7 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7871" "INHIBITOR" "Tchem" "Homo sapiens" +"telaprevir" 4173 "Plasminogen" "Enzyme" "P00747" "PLG" "PLMN_HUMAN" 5.06 "IC50" "Inhibition of human plasmin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL231813" "Tclin" "Homo sapiens" +"telaprevir" 4173 "Cathepsin K" "Enzyme" "P43235" "CTSK" "CATK_HUMAN" 6.2 "IC50" "Inhibition of human Cathepsin K" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL231813" "Tchem" "Homo sapiens" +"telaprevir" 4173 "Cathepsin B" "Enzyme" "P07858" "CTSB" "CATB_HUMAN" 6.68 "IC50" "Inhibition of cathepsin B" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL231813" "Tchem" "Homo sapiens" +"telaprevir" 4173 "Cathepsin L2" "Enzyme" "O60911" "CTSV" "CATL2_HUMAN" 5.87 "IC50" "Inhibition of human Cathepsin V" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL231813" "Tchem" "Homo sapiens" +"telaprevir" 4173 "Chymotrypsin-like elastase family member 1" "Enzyme" "Q9UNI1" "CELA1" "CELA1_HUMAN" 7.52 "IC50" "Inhibition of human Pancreatic elastase 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL231813" "Tchem" "Homo sapiens" +"telaprevir" 4173 "Neutrophil elastase" "Enzyme" "P08246" "ELANE" "ELNE_HUMAN" 6.17 "IC50" "Inhibition of human leukocyte elastase after 60 mins fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL231813" "Tclin" "Homo sapiens" +"telaprevir" 4173 "Chymase" "Enzyme" "P23946" "CMA1" "CMA1_HUMAN" 7.59 "IC50" "Inhibition of human Chymase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL231813" "Tchem" "Homo sapiens" +"telaprevir" 4173 "Cathepsin S" "Enzyme" "P25774" "CTSS" "CATS_HUMAN" 6.52 "IC50" "Inhibition of human Cathepsin S" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL231813" "Tchem" "Homo sapiens" +"telaprevir" 4173 "Cathepsin L1" "Enzyme" "P07711" "CTSL" "CATL1_HUMAN" 5.46 "IC50" "Inhibition of human Cathepsin L" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL231813" "Tclin" "Homo sapiens" +"telaprevir" 4173 "Hepatitis C virus serine protease, NS3/NS4A" "Enzyme" "A3EZI9|D2K2A8" "NS3|NS4A" "A3EZI9_9HEPC|D2K2A8_9HEPC" "Mechanism of Action; CHEMBL2095231; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL231813" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL231813" "INHIBITOR" "Hepatitis C virus" +"rilpivirine" 4174 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" "Mechanism of Action; CHEMBL247; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175691" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175691" "INHIBITOR" "Human immunodeficiency virus 1" +"rilpivirine" 4174 "Reverse transcriptase" "Enzyme" "Q9WKE8" "reverse transcriptas" "Q9WKE8_9HIV1" 7.82 "IC50" "Inhibition of wild-type HIV-1 reverse transcriptase by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL175691" "Human immunodeficiency virus 1" +"linagliptin" 4175 "Prolyl endopeptidase FAP" "Enzyme" "Q12884" "FAP" "SEPR_HUMAN" 7.05 "IC50" "Inhibition of FAPalpha" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL237500" "Tchem" "Homo sapiens" +"linagliptin" 4175 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.53 "IC50" "Displacement of [N-methyl-3H]scopolamine from human recombinant muscarinic M1 receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL237500" "Tclin" "Homo sapiens" +"linagliptin" 4175 "Prolyl endopeptidase FAP" "Enzyme" "P97321" "Fap" "SEPR_MOUSE" 6.43 "IC50" "Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addition" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL237500" "Mus musculus" +"linagliptin" 4175 "Dipeptidyl peptidase 4" "Enzyme" "P27487" "DPP4" "DPP4_HUMAN" 10 "IC50" "Inhibition of human C-terminal step-tagged DPP4 expressed using baculovirus system" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL237500" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL237500" "INHIBITOR" "Tclin" "Homo sapiens" +"linagliptin" 4175 "Dipeptidyl peptidase 9" "Enzyme" "Q86TI2" "DPP9" "DPP9_HUMAN" 4 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL237500" "Tchem" "Homo sapiens" +"abiraterone acetate" 4176 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.57 "IC50" "Inhibition of CYP3A4 expressed in baculovirus infected insect microsomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL254328" "Tclin" "Homo sapiens" +"abiraterone acetate" 4176 "Cytochrome P450 11B1, mitochondrial" "Enzyme" "P15538" "CYP11B1" "C11B1_HUMAN" 5.79 "IC50" "Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL254328" "Tclin" "Homo sapiens" +"abiraterone acetate" 4176 "Cytochrome P450 11B2, mitochondrial" "Enzyme" "P19099" "CYP11B2" "C11B2_HUMAN" 5.76 "IC50" "Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL254328" "Tchem" "Homo sapiens" +"abiraterone acetate" 4176 "Steroid 17-alpha-hydroxylase/17,20 lyase" "Enzyme" "P05093" "CYP17A1" "CP17A_HUMAN" 8.54 "IC50" "Ability to inhibit the C17,20-lyase enzyme by 50% using 17-alpha-hydroxyprogesterone as substrate." "CHEMBL" "=" 1 "IUPHAR" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL254328" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=9288" "INHIBITOR" "Tclin" "Homo sapiens" +"abiraterone acetate" 4176 "Cytochrome P450 17A1" "Enzyme" "P11715" "Cyp17a1" "CP17A_RAT" 7.9 "IC50" "Inhibition of Wistar rat testicular C17,20-lyase using [3H]17-hydroxyprogesterone as substrate preincubated for 20 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL254328" "Rattus norvegicus" +"gabapentin enacarbil" 4177 "Voltage-dependent calcium channel subunit alpha-2/delta-1" "Ion channel" "P54289" "CACNA2D1" "CA2D1_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/21651903" "http://www.ncbi.nlm.nih.gov/pubmed/21651903" "MODULATOR" "Tclin" "Homo sapiens" +"gabapentin enacarbil" 4177 "Voltage-dependent calcium channel subunit alpha-2/delta-2" "Ion channel" "Q9NY47" "CACNA2D2" "CA2D2_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/21651903" "http://www.ncbi.nlm.nih.gov/pubmed/21651903" "MODULATOR" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Dual specificity mitogen-activated protein kinase kinase 1" "Kinase" "Q02750" "MAP2K1" "MP2K1_HUMAN" 5.74 "Kd" "Binding constant for full-length MEK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 6.72 "Kd" "Binding constant for FLT3(K663Q) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 8.05 "Kd" "Binding constant for ABL1(Y253F)-phosphorylated kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 8.32 "Kd" "Binding constant for EGFR(E746-A750del) kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "INHIBITOR" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Tubulin alpha-1A chain" "Structural" "P68370" "Tuba1a" "TBA1A_RAT" 6.32 "Kd" "Binding constant for ERBB4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Rattus norvegicus" +"vandetanib" 4178 "Vascular endothelial growth factor receptor 1" "Kinase" "P17948" "FLT1" "VGFR1_HUMAN" 6.59 "Kd" "Binding constant for FLT1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "INHIBITOR" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 7.15 "Kd" "Binding constant for SRC kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "INHIBITOR" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 6.33 "Kd" "Average Binding Constant for VEGFR2; NA=Not Active at 10 uM" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "INHIBITOR" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Fibroblast growth factor receptor 3" "Kinase" "P22607" "FGFR3" "FGFR3_HUMAN" 6.62 "Kd" "Average Binding Constant for FGFR3; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Serine/threonine-protein kinase 35" "Kinase" "Q8TDR2" "STK35" "STK35_HUMAN" 7.25 "Kd" "Binding constant for STK35 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Fibroblast growth factor receptor 4" "Kinase" "P22455" "FGFR4" "FGFR4_HUMAN" 5.64 "Kd" "Binding constant for FGFR4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 6.64 "Kd" "Binding constant for PDGFRA kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 5.39 "Kd" "Binding constant for MET(Y1235D) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Casein kinase I isoform epsilon" "Kinase" "P49674" "CSNK1E" "KC1E_HUMAN" 5.82 "Kd" "Average Binding Constant for CSNK1E; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Receptor-interacting serine/threonine-protein kinase 2" "Kinase" "O43353" "RIPK2" "RIPK2_HUMAN" 8.34 "Kd" "Binding constant for RIPK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Ephrin type-B receptor 4" "Kinase" "P54760" "EPHB4" "EPHB4_HUMAN" 6.28 "Kd" "Binding constant for EPHB4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "INHIBITOR" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Ribosomal protein S6 kinase alpha-6" "Kinase" "Q9UK32" "RPS6KA6" "KS6A6_HUMAN" 6.62 "Kd" "Binding constant for RPS6KA6(Kin.Dom.2 - N-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Ribosomal protein S6 kinase alpha-1" "Kinase" "Q15418" "RPS6KA1" "KS6A1_HUMAN" 6.4 "Kd" "Binding constant for RPS6KA1(Kin.Dom.2 - C-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Cyclin-G-associated kinase" "Kinase" "O14976" "GAK" "GAK_HUMAN" 7.07 "Kd" "Binding constant for GAK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Dual specificity mitogen-activated protein kinase kinase 5" "Kinase" "Q13163" "MAP2K5" "MP2K5_HUMAN" 7.31 "Kd" "Binding constant for MEK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Mitogen-activated protein kinase kinase kinase MLT" "Kinase" "Q9NYL2" "ZAK" "MLTK_HUMAN" 5.29 "Kd" "Binding constant for ZAK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Tyrosine-protein kinase BTK" "Kinase" "Q06187" "BTK" "BTK_HUMAN" 5.77 "Kd" "Binding constant for BTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Ephrin type-A receptor 1" "Kinase" "P21709" "EPHA1" "EPHA1_HUMAN" 6.64 "Kd" "Binding constant for EPHA1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "INHIBITOR" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Mitogen-activated protein kinase kinase kinase kinase 1" "Kinase" "Q92918" "MAP4K1" "M4K1_HUMAN" 5.26 "Kd" "Binding constant for HPK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "AarF domain-containing protein kinase 4" "Kinase" "Q96D53" "COQ8B" "COQ8B_HUMAN" 5.77 "Kd" "Binding constant for full-length ADCK4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tbio" "Homo sapiens" +"vandetanib" 4178 "MAP kinase-interacting serine/threonine-protein kinase 1" "Kinase" "Q9BUB5" "MKNK1" "MKNK1_HUMAN" 6.44 "Kd" "Binding constant for full-length MKNK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Serine/threonine-protein kinase MRCK alpha" "Kinase" "Q5VT25" "CDC42BPA" "MRCKA_HUMAN" 5.59 "Kd" "Binding constant for MRCKA kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Tyrosine-protein kinase Fgr" "Kinase" "P09769" "FGR" "FGR_HUMAN" 6.57 "Kd" "Binding constant for FGR kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Tyrosine-protein kinase FRK" "Kinase" "P42685" "FRK" "FRK_HUMAN" 6.77 "Kd" "Binding constant for FRK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Ephrin type-A receptor 8" "Kinase" "P29322" "EPHA8" "EPHA8_HUMAN" 7.04 "Kd" "Binding constant for EPHA8 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "INHIBITOR" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Ephrin type-A receptor 2" "Kinase" "P29317" "EPHA2" "EPHA2_HUMAN" 5.96 "Kd" "Binding constant for EPHA2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "INHIBITOR" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Ephrin type-A receptor 3" "Kinase" "P29320" "EPHA3" "EPHA3_HUMAN" 5.74 "Kd" "Average Binding Constant for EPHA3; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "INHIBITOR" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 7.09 "Kd" "Binding constant for LOK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Serine/threonine-protein kinase PLK4" "Kinase" "O00444" "PLK4" "PLK4_HUMAN" 6.21 "Kd" "Binding constant for PLK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Tyrosine-protein kinase Yes" "Kinase" "P07947" "YES1" "YES_HUMAN" 6.92 "Kd" "Binding constant for YES kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Tyrosine-protein kinase CSK" "Kinase" "P41240" "CSK" "CSK_HUMAN" 5.6 "Kd" "Binding constant for full-length CSK" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Serine/threonine-protein kinase TNNI3K" "Kinase" "Q59H18" "TNNI3K" "TNI3K_HUMAN" 5.55 "Kd" "Binding constant for full-length TNNI3K" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.59 "Kd" "Binding constant for ERBB2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "INHIBITOR" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Tyrosine-protein kinase HCK" "Kinase" "P08631" "HCK" "HCK_HUMAN" 6.44 "Kd" "Binding constant for HCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Aurora kinase C" "Kinase" "Q9UQB9" "AURKC" "AURKC_HUMAN" 5.82 "Kd" "Binding constant for full-length AURKC" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Phosphorylase b kinase gamma catalytic chain, liver/testis isoform" "Kinase" "P15735" "PHKG2" "PHKG2_HUMAN" 5.1 "Kd" "Binding constant for PHKG2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 7.06 "Kd" "Binding constant for PDGFRB kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 6.25 "Kd" "Binding constant for FGFR1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" 5.96 "Kd" "Binding constant for FGFR2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Citron Rho-interacting kinase" "Kinase" "O14578" "CIT" "CTRO_HUMAN" 5.74 "Kd" "Binding constant for CIT kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tbio" "Homo sapiens" +"vandetanib" 4178 "Chaperone activity of bc1 complex-like, mitochondrial" "Kinase" "Q8NI60" "COQ8A" "COQ8A_HUMAN" 5.35 "Kd" "Binding constant for ADCK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tbio" "Homo sapiens" +"vandetanib" 4178 "Mitogen-activated protein kinase kinase kinase 4" "Kinase" "Q9Y6R4" "MAP3K4" "M3K4_HUMAN" 5.52 "Kd" "Binding constant for MAP3K4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tbio" "Homo sapiens" +"vandetanib" 4178 "Mitogen-activated protein kinase kinase kinase kinase 5" "Kinase" "Q9Y4K4" "MAP4K5" "M4K5_HUMAN" 6.35 "Kd" "Binding constant for MAP4K5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Misshapen-like kinase 1" "Kinase" "Q8N4C8" "MINK1" "MINK1_HUMAN" 5.47 "Kd" "Binding constant for MINK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Interleukin-1 receptor-associated kinase 4" "Kinase" "Q9NWZ3" "IRAK4" "IRAK4_HUMAN" 7.12 "Kd" "Binding constant for IRAK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 7.47 "Kd" "Binding constant for KIT(A829P) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Receptor tyrosine-protein kinase erbB-4" "Kinase" "Q15303" "ERBB4" "ERBB4_HUMAN" 6.32 "Kd" "Binding constant for ERBB4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "INHIBITOR" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Ephrin type-A receptor 6" "Kinase" "Q9UF33" "EPHA6" "EPHA6_HUMAN" 7.3 "Kd" "Binding constant for EPHA6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "INHIBITOR" "Tchem" "Homo sapiens" +"vandetanib" 4178 "TRAF2 and NCK-interacting protein kinase" "Kinase" "Q9UKE5" "TNIK" "TNIK_HUMAN" 5.64 "Kd" "Binding constant for TNIK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "STE20-like serine/threonine-protein kinase" "Kinase" "Q9H2G2" "SLK" "SLK_HUMAN" 7.02 "Kd" "Average Binding Constant for SLK; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "MAP kinase-interacting serine/threonine-protein kinase 2" "Kinase" "Q9HBH9" "MKNK2" "MKNK2_HUMAN" 5.77 "Kd" "Binding constant for MKNK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Bone morphogenetic protein receptor type-1B" "Kinase" "O00238" "BMPR1B" "BMR1B_HUMAN" 6.62 "Kd" "Binding constant for BMPR1B kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tbio" "Homo sapiens" +"vandetanib" 4178 "Macrophage-stimulating protein receptor" "Kinase" "Q04912" "MST1R" "RON_HUMAN" 5.47 "IC50" "In vitro inhibition of Met proto-oncogene tyrosine kinase (c-Met) expressed in baculovirus" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Interleukin-1 receptor-associated kinase 1" "Kinase" "P51617" "IRAK1" "IRAK1_HUMAN" 5.92 "Kd" "Binding constant for IRAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Ephrin type-A receptor 7" "Kinase" "Q15375" "EPHA7" "EPHA7_HUMAN" 5.62 "Kd" "Binding constant for EPHA7 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "INHIBITOR" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Protein-tyrosine kinase 6" "Kinase" "Q13882" "PTK6" "PTK6_HUMAN" 7.48 "Kd" "Average Binding Constant for PTK6; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "INHIBITOR" "Tchem" "Homo sapiens" +"vandetanib" 4178 "5'-AMP-activated protein kinase catalytic subunit alpha-1" "Kinase" "Q13131" "PRKAA1" "AAPK1_HUMAN" 5.52 "Kd" "Binding constant for AMPK-alpha1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 6.96 "Kd" "Binding constant for LYN kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Ephrin type-A receptor 5" "Kinase" "P54756" "EPHA5" "EPHA5_HUMAN" 6.62 "Kd" "Binding constant for EPHA5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "INHIBITOR" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Ephrin type-A receptor 4" "Kinase" "P54764" "EPHA4" "EPHA4_HUMAN" 5.8 "Kd" "Binding constant for EPHA4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "INHIBITOR" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform" "Kinase" "Q16816" "PHKG1" "PHKG1_HUMAN" 5.96 "Kd" "Binding constant for full-length PHKG1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Ephrin type-B receptor 1" "Kinase" "P54762" "EPHB1" "EPHB1_HUMAN" 6.54 "Kd" "Binding constant for EPHB1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "INHIBITOR" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Mitogen-activated protein kinase kinase kinase kinase 3" "Kinase" "Q8IVH8" "MAP4K3" "M4K3_HUMAN" 5.82 "Kd" "Binding constant for MAP4K3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Dual specificity testis-specific protein kinase 1" "Kinase" "Q15569" "TESK1" "TESK1_HUMAN" 5.43 "Kd" "Binding constant for TESK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tbio" "Homo sapiens" +"vandetanib" 4178 "Activin receptor type-1" "Kinase" "Q04771" "ACVR1" "ACVR1_HUMAN" 6.82 "Kd" "Binding constant for ACVR1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Serine/threonine-protein kinase MRCK gamma" "Kinase" "Q6DT37" "CDC42BPG" "MRCKG_HUMAN" 5.66 "Kd" "Binding constant for DMPK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tbio" "Homo sapiens" +"vandetanib" 4178 "Serine/threonine-protein kinase MRCK beta" "Kinase" "Q9Y5S2" "CDC42BPB" "MRCKB_HUMAN" 5.6 "Kd" "Binding constant for MRCKB kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tbio" "Homo sapiens" +"vandetanib" 4178 "Serine/threonine-protein kinase ULK3" "Kinase" "Q6PHR2" "ULK3" "ULK3_HUMAN" 5.19 "Kd" "Binding constant for ULK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Abelson tyrosine-protein kinase 2" "Kinase" "P42684" "ABL2" "ABL2_HUMAN" 7.16 "Kd" "Binding constant for ABL2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Tyrosine-protein kinase Blk" "Kinase" "P51451" "BLK" "BLK_HUMAN" 7.18 "Kd" "Binding constant for BLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 6 "Kd" "Binding constant for TIE2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "INHIBITOR" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Receptor tyrosine-protein kinase erbB-3" "Kinase" "P21860" "ERBB3" "ERBB3_HUMAN" 6.8 "Kd" "Binding constant for ERBB3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "INHIBITOR" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Ephrin type-B receptor 6" "Kinase" "O15197" "EPHB6" "EPHB6_HUMAN" 7.12 "Kd" "Binding constant for EPHB6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "INHIBITOR" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Serine/threonine-protein kinase SIK2" "Kinase" "Q9H0K1" "SIK2" "SIK2_HUMAN" 6.37 "Kd" "Binding constant for full-length SNF1LK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Tyrosine-protein kinase Srms" "Kinase" "Q9H3Y6" "SRMS" "SRMS_HUMAN" 5.72 "Kd" "Binding constant for SRMS kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Cyclin-dependent kinase 7" "Kinase" "P50613" "CDK7" "CDK7_HUMAN" 5.39 "Kd" "Binding constant for CDK7 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Serine/threonine-protein kinase 32A" "Kinase" "Q8WU08" "STK32A" "ST32A_HUMAN" 5.3 "Kd" "Binding constant for YANK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tdark" "Homo sapiens" +"vandetanib" 4178 "Serine/threonine-protein kinase SIK3" "Kinase" "Q9Y2K2" "SIK3" "SIK3_HUMAN" 5.41 "Kd" "Binding constant for QSK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Rho-associated protein kinase 2" "Kinase" "O75116" "ROCK2" "ROCK2_HUMAN" 5.44 "Kd" "Binding constant for ROCK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 6.44 "Kd" "Binding constant for FYN kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Macrophage colony-stimulating factor 1 receptor" "Kinase" "P07333" "CSF1R" "CSF1R_HUMAN" 5.92 "Kd" "Binding constant for CSF1R kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Vascular endothelial growth factor receptor 3" "Kinase" "P35916" "FLT4" "VGFR3_HUMAN" 6.52 "Kd" "Average Binding Constant for FLT4; NA=Not Active at 10 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "INHIBITOR" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Hormonally up-regulated neu tumor-associated kinase" "Kinase" "P57058" "HUNK" "HUNK_HUMAN" 5.39 "Kd" "Binding constant for HUNK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tbio" "Homo sapiens" +"vandetanib" 4178 "Discoidin domain-containing receptor 2" "Kinase" "Q16832" "DDR2" "DDR2_HUMAN" 6.49 "Kd" "Binding constant for DDR2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Mitogen-activated protein kinase 6" "Kinase" "Q16659" "MAPK6" "MK06_HUMAN" 5.82 "Kd" "Binding constant for ERK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tbio" "Homo sapiens" +"vandetanib" 4178 "Serine/threonine-protein kinase receptor R3" "Kinase" "P37023" "ACVRL1" "ACVL1_HUMAN" 6.33 "Kd" "Binding constant for ACVRL1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Tyrosine-protein kinase receptor Tie-1" "Kinase" "P35590" "TIE1" "TIE1_HUMAN" 5.82 "Kd" "Binding constant for TIE1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 7.85 "Kd" "Binding constant for RET(M918T) kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "INHIBITOR" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Epithelial discoidin domain-containing receptor 1" "Kinase" "Q08345" "DDR1" "DDR1_HUMAN" 7.96 "Kd" "Binding constant for DDR1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Mitogen-activated protein kinase kinase kinase kinase 4" "Kinase" "O95819" "MAP4K4" "M4K4_HUMAN" 5.85 "Kd" "Binding constant for MAP4K4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Tyrosine-protein kinase receptor TYRO3" "Kinase" "Q06418" "TYRO3" "TYRO3_HUMAN" 7.03 "Kd" "Binding constant for TYRO3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 7.77 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Leukocyte tyrosine kinase receptor" "Kinase" "P29376" "LTK" "LTK_HUMAN" 6.26 "Kd" "Binding constant for LTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Mitogen-activated protein kinase kinase kinase 19" "Kinase" "Q56UN5" "MAP3K19" "M3K19_HUMAN" 6.01 "Kd" "Binding constant for YSK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Tyrosine-protein kinase receptor UFO" "Kinase" "P30530" "AXL" "UFO_HUMAN" 6.6 "Kd" "Binding constant for AXL kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Ephrin type-B receptor 2" "Kinase" "P29323" "EPHB2" "EPHB2_HUMAN" 6.36 "Kd" "Binding constant for EPHB2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "INHIBITOR" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Dual specificity mitogen-activated protein kinase kinase 2" "Kinase" "P36507" "MAP2K2" "MP2K2_HUMAN" 5.96 "Kd" "Binding constant for full-length MEK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Tyrosine-protein kinase TXK" "Kinase" "P42681" "TXK" "TXK_HUMAN" 5.43 "Kd" "Binding constant for TXK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "ALK tyrosine kinase receptor" "Kinase" "Q9UM73" "ALK" "ALK_HUMAN" 5.68 "Kd" "Binding constant for ALK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tclin" "Homo sapiens" +"vandetanib" 4178 "Ribosomal protein S6 kinase beta-1" "Kinase" "P23443" "RPS6KB1" "KS6B1_HUMAN" 5.8 "Kd" "Binding constant for S6K1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Serine/threonine-protein kinase 33" "Kinase" "Q9BYT3" "STK33" "STK33_HUMAN" 5.85 "Kd" "Binding constant for full-length STK33" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Receptor-interacting serine/threonine-protein kinase 4" "Kinase" "P57078" "RIPK4" "RIPK4_HUMAN" 6.21 "Kd" "Binding constant for RIPK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Mitogen-activated protein kinase kinase kinase kinase 2" "Kinase" "Q12851" "MAP4K2" "M4K2_HUMAN" 5.8 "Kd" "Binding constant for MAP4K2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Serine/threonine-protein kinase SIK1" "Kinase" "P57059" "SIK1" "SIK1_HUMAN" 5.72 "Kd" "Binding constant for SNF1LK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"vandetanib" 4178 "Tyrosine-protein kinase Mer" "Kinase" "Q12866" "MERTK" "MERTK_HUMAN" 5.85 "Kd" "Binding constant for MERTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24828" "Tchem" "Homo sapiens" +"fidaxomicin" 4180 "DNA-directed RNA polymerase" "Enzyme" "Q182S6|Q18CF1|Q18CF3|Q18CI5" "rpoA|rpoB|rpoC|rpoZ" "RPOA_PEPD6|RPOB_PEPD6|RPOC_PEPD6|RPOZ_PEPD6" "Mechanism of Action; CHEMBL2363852; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL445546" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL445546" "INHIBITOR" "Peptoclostridium difficile (strain 630)" +"retigabine" 4181 "Potassium voltage-gated channel subfamily KQT member 2" "Ion channel" "O43526" "KCNQ2" "KCNQ2_HUMAN" 5.6 "EC50" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2601" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL41355" "ACTIVATOR" "Tclin" "Homo sapiens" +"retigabine" 4181 "Potassium voltage-gated channel subfamily KQT member 4" "Ion channel" "P56696" "KCNQ4" "KCNQ4_HUMAN" 5.2 "EC50" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2601" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL41355" "ACTIVATOR" "Tclin" "Homo sapiens" +"retigabine" 4181 "Potassium voltage-gated channel subfamily KQT member 5" "Ion channel" "Q9NR82" "KCNQ5" "KCNQ5_HUMAN" 5 "EC50" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2601" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL41355" "ACTIVATOR" "Tclin" "Homo sapiens" +"retigabine" 4181 "Potassium voltage-gated channel subfamily KQT member 3" "Ion channel" "O43525" "KCNQ3" "KCNQ3_HUMAN" 6.2 "EC50" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2601" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL41355" "ACTIVATOR" "Tclin" "Homo sapiens" +"retigabine" 4181 "Potassium voltage-gated channel subfamily KQT member 2" "Ion channel" "Q9Z351" "Kcnq2" "KCNQ2_MOUSE" 5.89 "EC50" "Induction of mouse KCNQ2 expressed in HEK293 cells at -40 mV holding potential by whole-cell patch clamp assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL41355" "Mus musculus" +"rivaroxaban" 4182 "Coagulation factor X" "Enzyme" "P00742" "F10" "FA10_HUMAN" 9.4 "Ki" "Inhibition of Factor 10a" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL198362" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL198362" "INHIBITOR" "Tclin" "Homo sapiens" +"rivaroxaban" 4182 "Suppressor of tumorigenicity 14 protein" "Enzyme" "Q9Y5Y6" "ST14" "ST14_HUMAN" 5.46999979019165 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL198362" "Tchem" "Homo sapiens" +"rivaroxaban" 4182 "Coagulation factor X" "Enzyme" "O19045" "F10" "FA10_RABIT" 6.29 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL198362" "Oryctolagus cuniculus" +"indacaterol" 4183 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 7.8 "Ki" "Binding affinity to human beta2-adrenoceptor by radioligand binding assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1095777" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1095777" "AGONIST" "Tclin" "Homo sapiens" +"indacaterol" 4183 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 7.04 "Ki" "Displacement of [3H]CGP12177 from human beta-1 adrenoceptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1095777" "Tclin" "Homo sapiens" +"indacaterol" 4183 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 4.6 "IC50" "Binding affinity to dopamine 2 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1095777" "Tclin" "Homo sapiens" +"indacaterol" 4183 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.98000001907349 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1095777" "Tclin" "Homo sapiens" +"indacaterol" 4183 "Beta-2 adrenergic receptor" "GPCR" "Q8K4Z4" "Adrb2" "ADRB2_CAVPO" 8.1 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1095777" "Cavia porcellus" +"ticagrelor" 4184 "P2Y purinoceptor 12" "GPCR" "Q9H244" "P2RY12" "P2Y12_HUMAN" 7.85 "Ki" "Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL398435" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL398435" "NEGATIVE ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"ticagrelor" 4184 "P2Y purinoceptor 12" "Unclassified" "Q9EPX4" "P2ry12" "P2Y12_RAT" 5.38 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL398435" "Rattus norvegicus" +"ticagrelor" 4184 "Equilibrative nucleoside transporter 1" "Transporter" "Q99808" "SLC29A1" "S29A1_HUMAN" 7.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1765" "INHIBITOR" "Tclin" "Homo sapiens" +"vemurafenib" 4185 "RAF proto-oncogene serine/threonine-protein kinase" "Kinase" "P04049" "RAF1" "RAF1_HUMAN" 7.32 "IC50" "Inhibition of C-Raf in presence of 100 uM ATP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1229517" "Tclin" "Homo sapiens" +"vemurafenib" 4185 "Serine/threonine-protein kinase B-raf" "Kinase" "P15056" "BRAF" "BRAF_HUMAN" 7.68 "IC50" "Inhibition of wild type BRAF (unknown origin)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1229517" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1229517" "INHIBITOR" "Tclin" "Homo sapiens" +"vemurafenib" 4185 "Serine/threonine-protein kinase A-Raf" "Kinase" "P10398" "ARAF" "ARAF_HUMAN" 6.02 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1229517" "Homo sapiens" +"vemurafenib" 4185 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 6.44 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1229517" "Tclin" "Homo sapiens" +"icatibant" 4186 "B1 bradykinin receptor" "GPCR" "P97583" "Bdkrb1" "BKRB1_RAT" 6.4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=667" "ANTAGONIST" "Rattus norvegicus" +"icatibant" 4186 "B1 bradykinin receptor" "GPCR" "P46663" "BDKRB1" "BKRB1_HUMAN" 7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=667" "ANTAGONIST" "Tchem" "Homo sapiens" +"icatibant" 4186 "B2 bradykinin receptor" "GPCR" "P25023" "Bdkrb2" "BKRB2_RAT" 10.11 "Ki" "Binding affinity against rat bradykinin B2 receptors expressed in CHO cells using [3H]bradykinin as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2028850" "Rattus norvegicus" +"icatibant" 4186 "B2 bradykinin receptor" "GPCR" "O70526" "BDKRB2" "BKRB2_CAVPO" 9.96 "Ki" "In vitro binding affinity against bradykinin receptor B2 from guinea pig ileum." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2028850" "Cavia porcellus" +"icatibant" 4186 "B2 bradykinin receptor" "GPCR" "P30411" "BDKRB2" "BKRB2_HUMAN" 10.22 "Ki" "Binding affinity towards human cloned Bradykinin receptor B2 expressed in CHO cells by [3H]bradykinin displacement." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2028850" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2028850" "ANTAGONIST" "Tclin" "Homo sapiens" +"icatibant" 4186 "B2 bradykinin receptor" "Unclassified" "P32299" "Bdkrb2" "BKRB2_MOUSE" 9.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=667" "ANTAGONIST" "Mus musculus" +"crizotinib" 4187 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 6.68 "Kd" "Binding constant for FLT3(D835Y) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Cyclin-dependent kinase-like 2" "Kinase" "Q92772" "CDKL2" "CDKL2_HUMAN" 5.68 "Kd" "Binding constant for CDKL2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tbio" "Homo sapiens" +"crizotinib" 4187 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 8 "Kd" "Binding constant for ABL1(T315I)-phosphorylated kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.57 "Kd" "Binding constant for EGFR(G719C) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Serine/threonine-protein kinase DCLK1" "Kinase" "O15075" "DCLK1" "DCLK1_HUMAN" 6.48 "Kd" "Binding constant for DCAMKL1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Muscle, skeletal receptor tyrosine-protein kinase" "Kinase" "O15146" "MUSK" "MUSK_HUMAN" 6.64 "Kd" "Binding constant for MUSK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Vascular endothelial growth factor receptor 1" "Kinase" "P17948" "FLT1" "VGFR1_HUMAN" 5.64 "Kd" "Binding constant for FLT1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 6.25 "Kd" "Binding constant for SRC kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Fibroblast growth factor receptor 3" "Kinase" "P22607" "FGFR3" "FGFR3_HUMAN" 5.57 "Kd" "Binding constant for FGFR3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Serine/threonine-protein kinase 35" "Kinase" "Q8TDR2" "STK35" "STK35_HUMAN" 6.21 "Kd" "Binding constant for STK35 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" 6.47 "Kd" "Binding constant for INSR kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "AGONIST" "Tclin" "Homo sapiens" +"crizotinib" 4187 "SRSF protein kinase 1" "Kinase" "Q96SB4" "SRPK1" "SRPK1_HUMAN" 5.74 "Kd" "Binding constant for SRPK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Dual specificity tyrosine-phosphorylation-regulated kinase 2" "Kinase" "Q92630" "DYRK2" "DYRK2_HUMAN" 5.4 "Kd" "Binding constant for DYRK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Serine/threonine-protein kinase RIO3" "Kinase" "O14730" "RIOK3" "RIOK3_HUMAN" 5.4 "Kd" "Binding constant for RIOK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 9.26 "Kd" "Binding constant for MET(M1250T) kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "INHIBITOR" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Dual specificity mitogen-activated protein kinase kinase 3" "Kinase" "P46734" "MAP2K3" "MP2K3_HUMAN" 5.48 "Kd" "Binding constant for MEK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Receptor-interacting serine/threonine-protein kinase 2" "Kinase" "O43353" "RIPK2" "RIPK2_HUMAN" 6.05 "Kd" "Binding constant for RIPK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Ephrin type-B receptor 4" "Kinase" "P54760" "EPHB4" "EPHB4_HUMAN" 6.24 "Kd" "Binding constant for EPHB4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 6.54 "Kd" "Binding constant for JAK2(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Serine/threonine-protein kinase NIM1" "Kinase" "Q8IY84" "NIM1K" "NIM1_HUMAN" 5.34 "Kd" "Binding constant for NIM1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tbio" "Homo sapiens" +"crizotinib" 4187 "Serine/threonine-protein kinase SBK1" "Kinase" "Q52WX2" "SBK1" "SBK1_HUMAN" 5.89 "Kd" "Binding constant for SBK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tdark" "Homo sapiens" +"crizotinib" 4187 "Mitogen-activated protein kinase kinase kinase 15" "Kinase" "Q6ZN16" "MAP3K15" "M3K15_HUMAN" 5.55 "Kd" "Binding constant for MAP3K15 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Aurora kinase A" "Kinase" "O14965" "AURKA" "AURKA_HUMAN" 6.59 "Kd" "Binding constant for AURKA kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Tyrosine-protein kinase JAK1" "Kinase" "P23458" "JAK1" "JAK1_HUMAN" 6.48 "Kd" "Binding constant for JAK1(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Tyrosine-protein kinase ITK/TSK" "Kinase" "Q08881" "ITK" "ITK_HUMAN" 5.7 "Kd" "Binding constant for ITK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Tyrosine-protein kinase SYK" "Kinase" "P43405" "SYK" "KSYK_HUMAN" 5.6 "Kd" "Binding constant for SYK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Interferon-induced, double-stranded RNA-activated protein kinase" "Kinase" "P19525" "EIF2AK2" "E2AK2_HUMAN" 5.96 "Kd" "Binding constant for PRKR kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tbio" "Homo sapiens" +"crizotinib" 4187 "Tyrosine-protein kinase BTK" "Kinase" "Q06187" "BTK" "BTK_HUMAN" 5.11 "Kd" "Binding constant for BTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Cyclin-dependent kinase 11B" "Kinase" "P21127" "CDK11B" "CD11B_HUMAN" 6.12 "Kd" "Binding constant for CDC2L1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tbio" "Homo sapiens" +"crizotinib" 4187 "Serine/threonine-protein kinase D1" "Kinase" "Q15139" "PRKD1" "KPCD1_HUMAN" 6 "Kd" "Binding constant for PRKD1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Mitogen-activated protein kinase kinase kinase 13" "Kinase" "O43283" "MAP3K13" "M3K13_HUMAN" 6.64 "Kd" "Binding constant for LZK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tbio" "Homo sapiens" +"crizotinib" 4187 "Serine/threonine-protein kinase TBK1" "Kinase" "Q9UHD2" "TBK1" "TBK1_HUMAN" 6.16 "Kd" "Binding constant for TBK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Ephrin type-A receptor 1" "Kinase" "P21709" "EPHA1" "EPHA1_HUMAN" 6.85 "Kd" "Binding constant for EPHA1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Serine/threonine-protein kinase Nek7" "Kinase" "Q8TDX7" "NEK7" "NEK7_HUMAN" 5.24 "Kd" "Binding constant for NEK7 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tbio" "Homo sapiens" +"crizotinib" 4187 "Mitogen-activated protein kinase kinase kinase kinase 1" "Kinase" "Q92918" "MAP4K1" "M4K1_HUMAN" 7.41 "Kd" "Binding constant for HPK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "AarF domain-containing protein kinase 4" "Kinase" "Q96D53" "COQ8B" "COQ8B_HUMAN" 5.96 "Kd" "Binding constant for ADCK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tbio" "Homo sapiens" +"crizotinib" 4187 "Tyrosine-protein kinase Fgr" "Kinase" "P09769" "FGR" "FGR_HUMAN" 6.17 "Kd" "Binding constant for FGR kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Serine/threonine-protein kinase D3" "Kinase" "O94806" "PRKD3" "KPCD3_HUMAN" 6.29 "Kd" "Binding constant for PRKD3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Angiopoietin-1 receptor" "Kinase" "Q02858" "Tek" "TIE2_MOUSE" 6.35 "IC50" "Inhibition of TIE2 in mouse 3T3-E cells assessed growth factor-induced autophosphorylation by sandwich ELISA method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Mus musculus" +"crizotinib" 4187 "Mitogen-activated protein kinase kinase kinase 7" "Kinase" "O43318" "MAP3K7" "M3K7_HUMAN" 5.74 "Kd" "Binding constant for TAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Tyrosine-protein kinase FRK" "Kinase" "P42685" "FRK" "FRK_HUMAN" 5.54 "Kd" "Binding constant for FRK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Ephrin type-A receptor 8" "Kinase" "P29322" "EPHA8" "EPHA8_HUMAN" 6.55 "Kd" "Binding constant for EPHA8 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Ephrin type-A receptor 2" "Kinase" "P29317" "EPHA2" "EPHA2_HUMAN" 7 "Kd" "Binding constant for EPHA2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Ephrin type-A receptor 3" "Kinase" "P29320" "EPHA3" "EPHA3_HUMAN" 6.15 "Kd" "Binding constant for EPHA3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 7.36 "Kd" "Binding constant for LOK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Tyrosine-protein kinase Fer" "Kinase" "P16591" "FER" "FER_HUMAN" 6.57 "Kd" "Binding constant for FER kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Serine/threonine-protein kinase PLK4" "Kinase" "O00444" "PLK4" "PLK4_HUMAN" 7.22 "Kd" "Binding constant for PLK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "AP2-associated protein kinase 1" "Kinase" "Q2M2I8" "AAK1" "AAK1_HUMAN" 5.64 "Kd" "Binding constant for AAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 6.7 "Kd" "Binding constant for JAK3(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Tyrosine-protein kinase Yes" "Kinase" "P07947" "YES1" "YES_HUMAN" 6.11 "Kd" "Binding constant for YES kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Tyrosine-protein kinase ABL1" "Kinase" "P00520" "Abl1" "ABL1_MOUSE" 5.94 "IC50" "Inhibition of ABL in mouse BaF3-BCL cells assessed as growth factor-induced autophosphorylation by sandwich ELISA method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Mus musculus" +"crizotinib" 4187 "Serine/threonine-protein kinase TAO1" "Kinase" "Q7L7X3" "TAOK1" "TAOK1_HUMAN" 5.92 "Kd" "Binding constant for TAOK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tbio" "Homo sapiens" +"crizotinib" 4187 "Serine/threonine-protein kinase TNNI3K" "Kinase" "Q59H18" "TNNI3K" "TNI3K_HUMAN" 6.96 "Kd" "Binding constant for TNNI3K kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Aurora kinase C" "Kinase" "Q9UQB9" "AURKC" "AURKC_HUMAN" 5.37 "Kd" "Binding constant for AURKC kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "High affinity nerve growth factor receptor" "Kinase" "P04629" "NTRK1" "NTRK1_HUMAN" 7.02 "Kd" "Binding constant for TRKA kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Rho-associated protein kinase 1" "Kinase" "Q13464" "ROCK1" "ROCK1_HUMAN" 5.43 "Kd" "Binding constant for ROCK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Ankyrin repeat and protein kinase domain-containing protein 1" "Kinase" "Q8NFD2" "ANKK1" "ANKK1_HUMAN" 6.11 "Kd" "Binding constant for ANKK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tbio" "Homo sapiens" +"crizotinib" 4187 "Homeodomain-interacting protein kinase 4" "Kinase" "Q8NE63" "HIPK4" "HIPK4_HUMAN" 5.44 "Kd" "Binding constant for HIPK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Mitogen-activated protein kinase kinase kinase kinase 5" "Kinase" "Q9Y4K4" "MAP4K5" "M4K5_HUMAN" 7.1 "Kd" "Binding constant for MAP4K5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Serine/threonine-protein kinase DCLK2" "Kinase" "Q8N568" "DCLK2" "DCLK2_HUMAN" 6.43 "Kd" "Binding constant for DCAMKL2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Misshapen-like kinase 1" "Kinase" "Q8N4C8" "MINK1" "MINK1_HUMAN" 5.36 "Kd" "Binding constant for MINK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Interleukin-1 receptor-associated kinase 4" "Kinase" "Q9NWZ3" "IRAK4" "IRAK4_HUMAN" 5.44 "Kd" "Binding constant for IRAK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Insulin receptor-related protein" "Kinase" "P14616" "INSRR" "INSRR_HUMAN" 6.22 "Kd" "Binding constant for INSRR kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 6.1 "Kd" "Binding constant for KIT(V559D,T670I) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "BMP-2-inducible protein kinase" "Kinase" "Q9NSY1" "BMP2K" "BMP2K_HUMAN" 6.13 "Kd" "Binding constant for BIKE kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Insulin-like growth factor 1 receptor" "Kinase" "P08069" "IGF1R" "IGF1R_HUMAN" 6.11 "Kd" "Binding constant for IGF1R kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Ephrin type-A receptor 6" "Kinase" "Q9UF33" "EPHA6" "EPHA6_HUMAN" 7.19 "Kd" "Binding constant for EPHA6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Calcium/calmodulin-dependent protein kinase kinase 2" "Kinase" "Q96RR4" "CAMKK2" "KKCC2_HUMAN" 5.82 "Kd" "Binding constant for CAMKK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Aurora kinase B" "Kinase" "Q96GD4" "AURKB" "AURKB_HUMAN" 7.12 "Kd" "Binding constant for AURKB kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "STE20-like serine/threonine-protein kinase" "Kinase" "Q9H2G2" "SLK" "SLK_HUMAN" 7.74 "Kd" "Binding constant for SLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Bone morphogenetic protein receptor type-1B" "Kinase" "O00238" "BMPR1B" "BMR1B_HUMAN" 6.64 "Kd" "Binding constant for BMPR1B kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tbio" "Homo sapiens" +"crizotinib" 4187 "Macrophage-stimulating protein receptor" "Kinase" "Q04912" "MST1R" "RON_HUMAN" 7.6 "Kd" "Binding constant for MST1R kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Non-receptor tyrosine-protein kinase TYK2" "Kinase" "P29597" "TYK2" "TYK2_HUMAN" 6.68 "Kd" "Binding constant for TYK2(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Interleukin-1 receptor-associated kinase 1" "Kinase" "P51617" "IRAK1" "IRAK1_HUMAN" 7.31 "Kd" "Binding constant for IRAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Serine/threonine-protein kinase 4" "Kinase" "Q13043" "STK4" "STK4_HUMAN" 6.24 "Kd" "Binding constant for MST1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Ephrin type-A receptor 7" "Kinase" "Q15375" "EPHA7" "EPHA7_HUMAN" 6.33 "Kd" "Binding constant for EPHA7 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Serine/threonine-protein kinase 3" "Kinase" "Q13188" "STK3" "STK3_HUMAN" 6 "Kd" "Binding constant for MST2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Inhibitor of nuclear factor kappa-B kinase subunit beta" "Kinase" "O14920" "IKBKB" "IKKB_HUMAN" 5.26 "Kd" "Binding constant for IKK-beta kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Serine/threonine-protein kinase Nek9" "Kinase" "Q8TD19" "NEK9" "NEK9_HUMAN" 6.1 "Kd" "Binding constant for NEK9 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tbio" "Homo sapiens" +"crizotinib" 4187 "Serine/threonine-protein kinase TAO2" "Kinase" "Q9UL54" "TAOK2" "TAOK2_HUMAN" 6.05 "Kd" "Binding constant for TAOK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tbio" "Homo sapiens" +"crizotinib" 4187 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 6.03 "Kd" "Binding constant for LYN kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "5'-AMP-activated protein kinase catalytic subunit alpha-1" "Kinase" "Q13131" "PRKAA1" "AAPK1_HUMAN" 5.62 "Kd" "Binding constant for AMPK-alpha1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Cytoplasmic tyrosine-protein kinase BMX" "Kinase" "P51813" "BMX" "BMX_HUMAN" 5.44 "Kd" "Binding constant for BMX kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Ephrin type-A receptor 5" "Kinase" "P54756" "EPHA5" "EPHA5_HUMAN" 6 "Kd" "Binding constant for EPHA5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "LIM domain kinase 1" "Kinase" "P53667" "LIMK1" "LIMK1_HUMAN" 6.08 "Kd" "Binding constant for LIMK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)" "Kinase" "P06748|Q9UM73" "ALK|NPM1" "ALK_HUMAN|NPM_HUMAN" 7.29 "IC50" "Inhibition of NPM/ALK (unknown origin) transfected in mouse BAF3 cells assessed as cell growth inhibition after 72 hrs by [3H]-thymidine incorporation assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tbio|Tclin" "Homo sapiens" +"crizotinib" 4187 "Serine/threonine-protein kinase ULK2" "Kinase" "Q8IYT8" "ULK2" "ULK2_HUMAN" 5.8 "Kd" "Binding constant for ULK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Ephrin type-A receptor 4" "Kinase" "P54764" "EPHA4" "EPHA4_HUMAN" 6.44 "Kd" "Binding constant for EPHA4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Ephrin type-B receptor 1" "Kinase" "P54762" "EPHB1" "EPHB1_HUMAN" 6.92 "Kd" "Binding constant for EPHB1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Activated CDC42 kinase 1" "Kinase" "Q07912" "TNK2" "ACK1_HUMAN" 6.12 "Kd" "Binding constant for TNK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Mitogen-activated protein kinase kinase kinase kinase 3" "Kinase" "Q8IVH8" "MAP4K3" "M4K3_HUMAN" 7.12 "Kd" "Binding constant for MAP4K3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Dual specificity testis-specific protein kinase 1" "Kinase" "Q15569" "TESK1" "TESK1_HUMAN" 6.42 "Kd" "Binding constant for TESK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tbio" "Homo sapiens" +"crizotinib" 4187 "Focal adhesion kinase 1" "Kinase" "Q05397" "PTK2" "FAK1_HUMAN" 6.51 "Kd" "Binding constant for FAK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "NT-3 growth factor receptor" "Kinase" "Q16288" "NTRK3" "NTRK3_HUMAN" 7.09 "Kd" "Binding constant for TRKC kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Tyrosine-protein kinase ZAP-70" "Kinase" "P43403" "ZAP70" "ZAP70_HUMAN" 5.38 "Kd" "Binding constant for ZAP70 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Activin receptor type-1" "Kinase" "Q04771" "ACVR1" "ACVR1_HUMAN" 6.36 "Kd" "Binding constant for ACVR1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Interleukin-1 receptor-associated kinase 3" "Kinase" "Q9Y616" "IRAK3" "IRAK3_HUMAN" 7.51 "Kd" "Binding constant for IRAK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "G protein-coupled receptor kinase 4" "Kinase" "P32298" "GRK4" "GRK4_HUMAN" 5.38 "Kd" "Binding constant for GRK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Mitogen-activated protein kinase kinase kinase 2" "Kinase" "Q9Y2U5" "MAP3K2" "M3K2_HUMAN" 7.14 "Kd" "Binding constant for MAP3K2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Serine/threonine-protein kinase ULK3" "Kinase" "Q6PHR2" "ULK3" "ULK3_HUMAN" 5.17 "Kd" "Binding constant for ULK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Abelson tyrosine-protein kinase 2" "Kinase" "P42684" "ABL2" "ABL2_HUMAN" 6.34 "Kd" "Binding constant for ABL2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Serine/threonine-protein kinase 26" "Kinase" "Q9P289" "STK26" "STK26_HUMAN" 5.55 "Kd" "Binding constant for MST4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tbio" "Homo sapiens" +"crizotinib" 4187 "Protein-tyrosine kinase 2-beta" "Kinase" "Q14289" "PTK2B" "FAK2_HUMAN" 6.72 "Kd" "Binding constant for PYK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Tyrosine-protein kinase Blk" "Kinase" "P51451" "BLK" "BLK_HUMAN" 6.96 "Kd" "Binding constant for BLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 6.57 "Kd" "Binding constant for TIE2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Inhibitor of nuclear factor kappa-B kinase subunit epsilon" "Kinase" "Q14164" "IKBKE" "IKKE_HUMAN" 6.15 "Kd" "Binding constant for IKK-epsilon kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Peripheral plasma membrane protein CASK" "Kinase" "O14936" "CASK" "CSKP_HUMAN" 6.85 "Kd" "Binding constant for CASK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tbio" "Homo sapiens" +"crizotinib" 4187 "Dual serine/threonine and tyrosine protein kinase" "Kinase" "Q6XUX3" "DSTYK" "DUSTY_HUMAN" 6.35 "Kd" "Binding constant for RIPK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tbio" "Homo sapiens" +"crizotinib" 4187 "Proto-oncogene tyrosine-protein kinase ROS" "Kinase" "P08922" "ROS1" "ROS1_HUMAN" 8.39 "Kd" "Binding constant for ROS1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Ephrin type-B receptor 6" "Kinase" "O15197" "EPHB6" "EPHB6_HUMAN" 8.22 "Kd" "Binding constant for EPHB6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Serine/threonine-protein kinase SIK2" "Kinase" "Q9H0K1" "SIK2" "SIK2_HUMAN" 6.7 "Kd" "Binding constant for SIK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Serine/threonine-protein kinase TAO3" "Kinase" "Q9H2K8" "TAOK3" "TAOK3_HUMAN" 6.31 "Kd" "Binding constant for TAOK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tbio" "Homo sapiens" +"crizotinib" 4187 "Mitogen-activated protein kinase kinase kinase 1" "Kinase" "Q13233" "MAP3K1" "M3K1_HUMAN" 5.96 "Kd" "Binding constant for MAP3K1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tbio" "Homo sapiens" +"crizotinib" 4187 "Cyclin-dependent kinase 7" "Kinase" "P50613" "CDK7" "CDK7_HUMAN" 6.48 "Kd" "Binding constant for CDK7 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Rho-associated protein kinase 2" "Kinase" "O75116" "ROCK2" "ROCK2_HUMAN" 5.48 "Kd" "Binding constant for ROCK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.89 "Kd" "Binding constant for FYN kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Macrophage colony-stimulating factor 1 receptor" "Kinase" "P07333" "CSF1R" "CSF1R_HUMAN" 6.68 "Kd" "Binding constant for CSF1R kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Uncharacterized serine/threonine-protein kinase SBK3" "Kinase" "P0C264" "SBK3" "SBK3_HUMAN" 6.62 "Kd" "Binding constant for SgK110 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tdark" "Homo sapiens" +"crizotinib" 4187 "Macrophage-stimulating protein receptor" "Kinase" "Q62190" "Mst1r" "RON_MOUSE" 7.1 "IC50" "Inhibition of RON in mouse 3T3 cells assessed as growth factor-induced autophosphorylation by sandwich ELISA method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Mus musculus" +"crizotinib" 4187 "Activin receptor type-1B" "Kinase" "P36896" "ACVR1B" "ACV1B_HUMAN" 6.07 "Kd" "Binding constant for ACVR1B kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Tyrosine-protein kinase receptor Tie-1" "Kinase" "P35590" "TIE1" "TIE1_HUMAN" 6.96 "Kd" "Binding constant for TIE1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "TGF-beta receptor type-1" "Kinase" "P36897" "TGFBR1" "TGFR1_HUMAN" 6 "Kd" "Binding constant for TGFBR1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 5.89 "Kd" "Binding constant for RET(M918T) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Myotonin-protein kinase" "Kinase" "Q09013" "DMPK" "DMPK_HUMAN" 5.85 "Kd" "Binding constant for DMPK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Epithelial discoidin domain-containing receptor 1" "Kinase" "Q08345" "DDR1" "DDR1_HUMAN" 6.29 "Kd" "Binding constant for DDR1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Tyrosine-protein kinase receptor TYRO3" "Kinase" "Q06418" "TYRO3" "TYRO3_HUMAN" 6.1 "Kd" "Binding constant for TYRO3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Tyrosine-protein kinase Fes/Fps" "Kinase" "P07332" "FES" "FES_HUMAN" 6.35 "Kd" "Binding constant for FES kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 7.52 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Leukocyte tyrosine kinase receptor" "Kinase" "P29376" "LTK" "LTK_HUMAN" 7.92 "Kd" "Binding constant for LTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Mitogen-activated protein kinase kinase kinase 19" "Kinase" "Q56UN5" "MAP3K19" "M3K19_HUMAN" 6.01 "Kd" "Binding constant for YSK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Tyrosine-protein kinase receptor UFO" "Kinase" "P30530" "AXL" "UFO_HUMAN" 8.11 "Kd" "Binding constant for AXL kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "BDNF/NT-3 growth factors receptor" "Kinase" "Q16620" "NTRK2" "NTRK2_HUMAN" 7.43 "Kd" "Binding constant for TRKB kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tclin" "Homo sapiens" +"crizotinib" 4187 "NUAK family SNF1-like kinase 2" "Kinase" "Q9H093" "NUAK2" "NUAK2_HUMAN" 6.92 "Kd" "Binding constant for SNARK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "SRSF protein kinase 3" "Kinase" "Q9UPE1" "SRPK3" "SRPK3_HUMAN" 5.09 "Kd" "Binding constant for SRPK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Tyrosine-protein kinase TXK" "Kinase" "P42681" "TXK" "TXK_HUMAN" 6.07 "Kd" "Binding constant for TXK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "LIM domain kinase 2" "Kinase" "P53671" "LIMK2" "LIMK2_HUMAN" 6.16 "Kd" "Binding constant for LIMK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "ALK tyrosine kinase receptor" "Kinase" "Q9UM73" "ALK" "ALK_HUMAN" 9.13 "Ki" "Inhibition of wild type human recombinant ALK kinase domain (amino acids 1093 to 1141) expressed in baculovirus system using 5'FAM-KKSRGDYMTMQIG-CONH2 as substrate incubated for 15 mins prior to ATP addition measured after 1 hr by microfluidic mobility shift assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "INHIBITOR" "Tclin" "Homo sapiens" +"crizotinib" 4187 "Mitogen-activated protein kinase kinase kinase 12" "Kinase" "Q12852" "MAP3K12" "M3K12_HUMAN" 6.77 "Kd" "Binding constant for DLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Receptor-interacting serine/threonine-protein kinase 1" "Kinase" "Q13546" "RIPK1" "RIPK1_HUMAN" 5.8 "Kd" "Binding constant for RIPK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Phosphatidylinositol 4-phosphate 5-kinase type-1 alpha" "Kinase" "Q99755" "PIP5K1A" "PI51A_HUMAN" 5.49 "Kd" "Binding constant for PIP5K1A kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tbio" "Homo sapiens" +"crizotinib" 4187 "Mitogen-activated protein kinase kinase kinase 3" "Kinase" "Q99759" "MAP3K3" "M3K3_HUMAN" 6.96 "Kd" "Binding constant for MAP3K3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Cyclin-dependent kinase 11A" "Kinase" "Q9UQ88" "CDK11A" "CD11A_HUMAN" 6.38 "Kd" "Binding constant for CDC2L2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tbio" "Homo sapiens" +"crizotinib" 4187 "Serine/threonine-protein kinase RIO1" "Kinase" "Q9BRS2" "RIOK1" "RIOK1_HUMAN" 5.21 "Kd" "Binding constant for RIOK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Ribosomal protein S6 kinase beta-1" "Kinase" "P23443" "RPS6KB1" "KS6B1_HUMAN" 6.19 "Kd" "Binding constant for S6K1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Serine/threonine-protein kinase ULK1" "Kinase" "O75385" "ULK1" "ULK1_HUMAN" 6 "Kd" "Binding constant for ULK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Receptor-interacting serine/threonine-protein kinase 4" "Kinase" "P57078" "RIPK4" "RIPK4_HUMAN" 5.68 "Kd" "Binding constant for RIPK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Mitogen-activated protein kinase kinase kinase kinase 2" "Kinase" "Q12851" "MAP4K2" "M4K2_HUMAN" 7.1 "Kd" "Binding constant for MAP4K2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Tyrosine-protein kinase Mer" "Kinase" "Q12866" "MERTK" "MERTK_HUMAN" 8.44 "Kd" "Binding constant for MERTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"crizotinib" 4187 "Mitogen-activated protein kinase 7" "Kinase" "Q13164" "MAPK7" "MK07_HUMAN" 6.29 "Kd" "Binding constant for ERK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tbio" "Homo sapiens" +"crizotinib" 4187 "Non-receptor tyrosine-protein kinase TNK1" "Kinase" "Q13470" "TNK1" "TNK1_HUMAN" 6.49 "Kd" "Binding constant for TNK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL601719" "Tchem" "Homo sapiens" +"deferiprone" 4188 "iron" "Inorganic material" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/021825s003lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/021825s003lbl.pdf" "CHELATING AGENT" +"hydroxyprogesterone caproate" 4189 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 7.66354036331177 "IC50" "human recombinant PR-B isoform in Sf9 cells" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/18060946" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/021945s005lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"hydroxyprogesterone caproate" 4189 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 7.638272164 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"hydroxyprogesterone caproate" 4189 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.260744197 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"hydroxyprogesterone caproate" 4189 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.572838597 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"hydroxyprogesterone caproate" 4189 "Mitogen-activated protein kinase 3" "Kinase" "P27361" "MAPK3" "MK03_HUMAN" 5.500725418 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"hydroxyprogesterone caproate" 4189 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 6.307153081 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"hydroxyprogesterone caproate" 4189 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 8.809668302 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"hydroxyprogesterone caproate" 4189 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 7 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1062" "Tchem" "Homo sapiens" +"hydroxyprogesterone caproate" 4189 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 7.74 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1062" "Tbio" "Homo sapiens" +"ruxolitinib" 4190 "Dual specificity mitogen-activated protein kinase kinase 1" "Kinase" "Q02750" "MAP2K1" "MP2K1_HUMAN" 5.72 "Kd" "Binding constant for MEK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tclin" "Homo sapiens" +"ruxolitinib" 4190 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 5.96 "Kd" "Binding constant for ABL1(H396P)-non phosphorylated kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tclin" "Homo sapiens" +"ruxolitinib" 4190 "Phosphatidylinositol 4-kinase beta" "Kinase" "Q9UBF8" "PI4KB" "PI4KB_HUMAN" 5.47 "Kd" "Binding constant for PIK4CB kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase DCLK1" "Kinase" "O15075" "DCLK1" "DCLK1_HUMAN" 7.17 "Kd" "Binding constant for DCAMKL1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Calcium/calmodulin-dependent protein kinase type 1" "Kinase" "Q14012" "CAMK1" "KCC1A_HUMAN" 6.33 "Kd" "Binding constant for CAMK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "SRSF protein kinase 1" "Kinase" "Q96SB4" "SRPK1" "SRPK1_HUMAN" 5.68 "Kd" "Binding constant for SRPK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Dual specificity tyrosine-phosphorylation-regulated kinase 2" "Kinase" "Q92630" "DYRK2" "DYRK2_HUMAN" 5.43 "Kd" "Binding constant for DYRK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase RIO3" "Kinase" "O14730" "RIOK3" "RIOK3_HUMAN" 5.7 "Kd" "Binding constant for RIOK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase Nek3" "Kinase" "P51956" "NEK3" "NEK3_HUMAN" 5.96 "Kd" "Binding constant for NEK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tbio" "Homo sapiens" +"ruxolitinib" 4190 "Dual specificity mitogen-activated protein kinase kinase 3" "Kinase" "P46734" "MAP2K3" "MP2K3_HUMAN" 6.33 "Kd" "Binding constant for MEK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Calcium/calmodulin-dependent protein kinase type II subunit beta" "Kinase" "Q13554" "CAMK2B" "KCC2B_HUMAN" 6.51 "Kd" "Binding constant for CAMK2B kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 10.44 "Kd" "Binding constant for JAK2(JH1domain-catalytic) kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "INHIBITOR" "Tclin" "Homo sapiens" +"ruxolitinib" 4190 "Ribosomal protein S6 kinase alpha-6" "Kinase" "Q9UK32" "RPS6KA6" "KS6A6_HUMAN" 6.82 "Kd" "Binding constant for RSK4(Kin.Dom.2-C-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Ribosomal protein S6 kinase alpha-1" "Kinase" "Q15418" "RPS6KA1" "KS6A1_HUMAN" 6.92 "Kd" "Binding constant for RSK1(Kin.Dom.2-C-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Cyclin-G-associated kinase" "Kinase" "O14976" "GAK" "GAK_HUMAN" 7 "Kd" "Binding constant for GAK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase SBK1" "Kinase" "Q52WX2" "SBK1" "SBK1_HUMAN" 5.89 "Kd" "Binding constant for SBK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tdark" "Homo sapiens" +"ruxolitinib" 4190 "Mitogen-activated protein kinase kinase kinase 15" "Kinase" "Q6ZN16" "MAP3K15" "M3K15_HUMAN" 5.96 "Kd" "Binding constant for MAP3K15 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Microtubule-associated serine/threonine-protein kinase 1" "Kinase" "Q9Y2H9" "MAST1" "MAST1_HUMAN" 6.28 "Kd" "Binding constant for MAST1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "JAK2/TYK2" "Kinase" "O60674|P29597" "JAK2|TYK2" "JAK2_HUMAN|TYK2_HUMAN" 6.09 "IC50" "Inhibition of JAK2/TYK2 in human whole blood assessed as inhibition of IL-23-induced STAT-3 phosphorylation preincubated for 45 mins followed by IL-23 addition measured after 15 mins by FACS analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tclin|Tclin" "Homo sapiens" +"ruxolitinib" 4190 "JAK1/JAK2/TYK2" "Kinase" "O60674|P23458|P29597" "JAK1|JAK2|TYK2" "JAK1_HUMAN|JAK2_HUMAN|TYK2_HUMAN" 6.53 "IC50" "Inhibition of JAK1/JAK2/TYK2 in human whole blood assessed as inhibition of IL-6-induced STAT-1 phosphorylation preincubated for 45 mins followed by IL-6 addition measured after 15 mins by FACS analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tclin|Tclin|Tclin" "Homo sapiens" +"ruxolitinib" 4190 "JAK1/TYK2" "Kinase" "P23458|P29597" "JAK1|TYK2" "JAK1_HUMAN|TYK2_HUMAN" 6.71 "IC50" "Inhibition of JAK1/TYK2 in human whole blood assessed as inhibition of IFN-alpha-induced STAT-3 phosphorylation preincubated for 45 mins followed by IFN-alpha addition measured after 15 mins by FACS analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tclin|Tclin" "Homo sapiens" +"ruxolitinib" 4190 "Tyrosine-protein kinase JAK1" "Kinase" "P23458" "JAK1" "JAK1_HUMAN" 10.05 "Ki" "Inhibition of purified JAK1 incubated for 30 mins" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "INHIBITOR" "Tclin" "Homo sapiens" +"ruxolitinib" 4190 "Homeodomain-interacting protein kinase 3" "Kinase" "Q9H422" "HIPK3" "HIPK3_HUMAN" 5.92 "Kd" "Binding constant for HIPK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tbio" "Homo sapiens" +"ruxolitinib" 4190 "Homeodomain-interacting protein kinase 2" "Kinase" "Q9H2X6" "HIPK2" "HIPK2_HUMAN" 6 "Kd" "Binding constant for HIPK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Maternal embryonic leucine zipper kinase" "Kinase" "Q14680" "MELK" "MELK_HUMAN" 5.66 "Kd" "Binding constant for MELK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase PLK1" "Kinase" "P53350" "PLK1" "PLK1_HUMAN" 6.89 "Kd" "Binding constant for PLK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase TBK1" "Kinase" "Q9UHD2" "TBK1" "TBK1_HUMAN" 5.77 "Kd" "Binding constant for TBK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase Nek7" "Kinase" "Q8TDX7" "NEK7" "NEK7_HUMAN" 5.31 "Kd" "Binding constant for NEK7 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tbio" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase/endoribonuclease IRE1" "Kinase" "O75460" "ERN1" "ERN1_HUMAN" 5.6 "Kd" "Binding constant for ERN1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase B-raf" "Kinase" "P15056" "BRAF" "BRAF_HUMAN" 5.66 "Kd" "Binding constant for BRAF kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tclin" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase OSR1" "Kinase" "O95747" "OXSR1" "OXSR1_HUMAN" 5.57 "Kd" "Binding constant for OSR1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tbio" "Homo sapiens" +"ruxolitinib" 4190 "STE20/SPS1-related proline-alanine-rich protein kinase" "Kinase" "Q9UEW8" "STK39" "STK39_HUMAN" 5.72 "Kd" "Binding constant for STK39 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tbio" "Homo sapiens" +"ruxolitinib" 4190 "Mitogen-activated protein kinase kinase kinase 7" "Kinase" "O43318" "MAP3K7" "M3K7_HUMAN" 6.14 "Kd" "Binding constant for TAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Dual specificity protein kinase CLK2" "Kinase" "P49760" "CLK2" "CLK2_HUMAN" 6.34 "Kd" "Binding constant for CLK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "G protein-coupled receptor kinase 7" "Kinase" "Q8WTQ7" "GRK7" "GRK7_HUMAN" 6.27 "Kd" "Binding constant for GRK7 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Homeodomain-interacting protein kinase 1" "Kinase" "Q86Z02" "HIPK1" "HIPK1_HUMAN" 5.92 "Kd" "Binding constant for HIPK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tbio" "Homo sapiens" +"ruxolitinib" 4190 "JAK3/JAK1" "Kinase" "P23458|P52333" "JAK1|JAK3" "JAK1_HUMAN|JAK3_HUMAN" 7.64 "IC50" "Inhibition of JAK3/1 in human T cells expressing CD3 assessed as inhibition of IL2-stimulated STAT5a phosphorylation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tclin|Tclin" "Homo sapiens" +"ruxolitinib" 4190 "Dual specificity protein kinase TTK" "Kinase" "P33981" "TTK" "TTK_HUMAN" 6.32 "Kd" "Binding constant for TTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "JAK2/JAK1" "Kinase" "O60674|P23458" "JAK1|JAK2" "JAK1_HUMAN|JAK2_HUMAN" 7.51 "IC50" "Inhibition of JAK2/1 in human T cells expressing CD3 assessed as inhibition of IFNgamma-stimulated STAT1 phosphorylation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tclin|Tclin" "Homo sapiens" +"ruxolitinib" 4190 "Ephrin type-A receptor 3" "Kinase" "P29320" "EPHA3" "EPHA3_HUMAN" 5.21 "Kd" "Binding constant for EPHA3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase 16" "Kinase" "O75716" "STK16" "STK16_HUMAN" 6.31 "Kd" "Binding constant for STK16 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase 17B" "Kinase" "O94768" "STK17B" "ST17B_HUMAN" 5.46 "Kd" "Binding constant for DRAK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Calcium/calmodulin-dependent protein kinase type II subunit gamma" "Kinase" "Q13555" "CAMK2G" "KCC2G_HUMAN" 7 "Kd" "Binding constant for CAMK2G kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase PLK4" "Kinase" "O00444" "PLK4" "PLK4_HUMAN" 6.7 "Kd" "Binding constant for PLK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "AP2-associated protein kinase 1" "Kinase" "Q2M2I8" "AAK1" "AAK1_HUMAN" 6.92 "Kd" "Binding constant for AAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase MARK2" "Kinase" "Q7KZI7" "MARK2" "MARK2_HUMAN" 6.18 "Kd" "Binding constant for MARK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Protein kinase C epsilon type" "Kinase" "Q02156" "PRKCE" "KPCE_HUMAN" 6.28 "Kd" "Binding constant for PRKCE kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 8.7 "Kd" "Binding constant for JAK3(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tclin" "Homo sapiens" +"ruxolitinib" 4190 "Ribosomal protein S6 kinase alpha-5" "Kinase" "O75582" "RPS6KA5" "KS6A5_HUMAN" 6.85 "Kd" "Binding constant for RPS6KA5(Kin.Dom.2-C-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Casein kinase II subunit alpha'" "Kinase" "P19784" "CSNK2A2" "CSK22_HUMAN" 5.48 "Kd" "Binding constant for CSNK2A2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase TAO1" "Kinase" "Q7L7X3" "TAOK1" "TAOK1_HUMAN" 5.89 "Kd" "Binding constant for TAOK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tbio" "Homo sapiens" +"ruxolitinib" 4190 "Aurora kinase C" "Kinase" "Q9UQB9" "AURKC" "AURKC_HUMAN" 5.06 "Kd" "Binding constant for AURKC kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Phosphorylase b kinase gamma catalytic chain, liver/testis isoform" "Kinase" "P15735" "PHKG2" "PHKG2_HUMAN" 6 "Kd" "Binding constant for PHKG2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "High affinity nerve growth factor receptor" "Kinase" "P04629" "NTRK1" "NTRK1_HUMAN" 5.82 "Kd" "Binding constant for TRKA kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tclin" "Homo sapiens" +"ruxolitinib" 4190 "Rho-associated protein kinase 1" "Kinase" "Q13464" "ROCK1" "ROCK1_HUMAN" 7.22 "Kd" "Binding constant for ROCK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tclin" "Homo sapiens" +"ruxolitinib" 4190 "Ankyrin repeat and protein kinase domain-containing protein 1" "Kinase" "Q8NFD2" "ANKK1" "ANKK1_HUMAN" 6.41 "Kd" "Binding constant for ANKK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tbio" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase 25" "Kinase" "O00506" "STK25" "STK25_HUMAN" 5.2 "Kd" "Binding constant for YSK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tbio" "Homo sapiens" +"ruxolitinib" 4190 "Myosin light chain kinase, smooth muscle" "Kinase" "Q15746" "MYLK" "MYLK_HUMAN" 6.44 "Kd" "Binding constant for MYLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase DCLK2" "Kinase" "Q8N568" "DCLK2" "DCLK2_HUMAN" 6.12 "Kd" "Binding constant for DCAMKL2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Leucine-rich repeat serine/threonine-protein kinase 2" "Kinase" "Q5S007" "LRRK2" "LRRK2_HUMAN" 7.05 "Kd" "Binding constant for LRRK2(G2019S) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase PAK 6" "Kinase" "Q9NQU5" "PAK6" "PAK6_HUMAN" 5.54 "Kd" "Binding constant for PAK6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 5.2 "Kd" "Binding constant for KIT(A829P) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tclin" "Homo sapiens" +"ruxolitinib" 4190 "BMP-2-inducible protein kinase" "Kinase" "Q9NSY1" "BMP2K" "BMP2K_HUMAN" 6.68 "Kd" "Binding constant for BIKE kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase PAK 7" "Kinase" "Q9P286" "PAK5" "PAK5_HUMAN" 5.89 "Kd" "Binding constant for PAK7 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase 17A" "Kinase" "Q9UEE5" "STK17A" "ST17A_HUMAN" 5.21 "Kd" "Binding constant for DRAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Ribosomal protein S6 kinase alpha-4" "Kinase" "O75676" "RPS6KA4" "KS6A4_HUMAN" 6.47 "Kd" "Binding constant for RPS6KA4(Kin.Dom.2-C-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Dual specificity protein kinase CLK4" "Kinase" "Q9HAZ1" "CLK4" "CLK4_HUMAN" 5.77 "Kd" "Binding constant for CLK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "MAP kinase-interacting serine/threonine-protein kinase 2" "Kinase" "Q9HBH9" "MKNK2" "MKNK2_HUMAN" 6.7 "Kd" "Binding constant for MKNK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Death-associated protein kinase 2" "Kinase" "Q9UIK4" "DAPK2" "DAPK2_HUMAN" 7.01 "Kd" "Binding constant for DAPK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Bone morphogenetic protein receptor type-1B" "Kinase" "O00238" "BMPR1B" "BMR1B_HUMAN" 5.74 "Kd" "Binding constant for BMPR1B kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tbio" "Homo sapiens" +"ruxolitinib" 4190 "Non-receptor tyrosine-protein kinase TYK2" "Kinase" "P29597" "TYK2" "TYK2_HUMAN" 9.3 "Ki" "Inhibition of TYK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tclin" "Homo sapiens" +"ruxolitinib" 4190 "Interleukin-1 receptor-associated kinase 1" "Kinase" "P51617" "IRAK1" "IRAK1_HUMAN" 6.54 "Kd" "Binding constant for IRAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Calcium/calmodulin-dependent protein kinase type 1D" "Kinase" "Q8IU85" "CAMK1D" "KCC1D_HUMAN" 6.92 "Kd" "Binding constant for CAMK1D kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Calcium/calmodulin-dependent protein kinase type 1G" "Kinase" "Q96NX5" "CAMK1G" "KCC1G_HUMAN" 5.66 "Kd" "Binding constant for CAMK1G kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Inhibitor of nuclear factor kappa-B kinase subunit beta" "Kinase" "O14920" "IKBKB" "IKKB_HUMAN" 5.64 "Kd" "Binding constant for IKK-beta kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase TAO2" "Kinase" "Q9UL54" "TAOK2" "TAOK2_HUMAN" 6.51 "Kd" "Binding constant for TAOK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tbio" "Homo sapiens" +"ruxolitinib" 4190 "Ribosomal protein S6 kinase alpha-2" "Kinase" "Q15349" "RPS6KA2" "KS6A2_HUMAN" 6.82 "Kd" "Binding constant for RSK3(Kin.Dom.2-C-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase ULK2" "Kinase" "Q8IYT8" "ULK2" "ULK2_HUMAN" 6.72 "Kd" "Binding constant for ULK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform" "Kinase" "Q16816" "PHKG1" "PHKG1_HUMAN" 5.24 "Kd" "Binding constant for PHKG1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Activated CDC42 kinase 1" "Kinase" "Q07912" "TNK2" "ACK1_HUMAN" 5.59 "Kd" "Binding constant for TNK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tclin" "Homo sapiens" +"ruxolitinib" 4190 "Casein kinase II subunit alpha" "Kinase" "P68400" "CSNK2A1" "CSK21_HUMAN" 5.38 "Kd" "Binding constant for CSNK2A1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "NT-3 growth factor receptor" "Kinase" "Q16288" "NTRK3" "NTRK3_HUMAN" 6.48 "Kd" "Binding constant for TRKC kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tclin" "Homo sapiens" +"ruxolitinib" 4190 "Rhodopsin kinase" "Kinase" "Q15835" "GRK1" "RK_HUMAN" 6.14 "Kd" "Binding constant for GRK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Calcium/calmodulin-dependent protein kinase type II subunit alpha" "Kinase" "Q9UQM7" "CAMK2A" "KCC2A_HUMAN" 7.34 "Kd" "Binding constant for CAMK2A kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "G protein-coupled receptor kinase 4" "Kinase" "P32298" "GRK4" "GRK4_HUMAN" 5.21 "Kd" "Binding constant for GRK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Mitogen-activated protein kinase kinase kinase 2" "Kinase" "Q9Y2U5" "MAP3K2" "M3K2_HUMAN" 7.39 "Kd" "Binding constant for MAP3K2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase ULK3" "Kinase" "Q6PHR2" "ULK3" "ULK3_HUMAN" 5.62 "Kd" "Binding constant for ULK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase 26" "Kinase" "Q9P289" "STK26" "STK26_HUMAN" 5.51 "Kd" "Binding constant for MST4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tbio" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase PLK2" "Kinase" "Q9NYY3" "PLK2" "PLK2_HUMAN" 5.82 "Kd" "Binding constant for PLK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Bone morphogenetic protein receptor type-2" "Kinase" "Q13873" "BMPR2" "BMPR2_HUMAN" 6.03 "Kd" "Binding constant for BMPR2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Inhibitor of nuclear factor kappa-B kinase subunit epsilon" "Kinase" "Q14164" "IKBKE" "IKKE_HUMAN" 5.92 "Kd" "Binding constant for IKK-epsilon kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Peripheral plasma membrane protein CASK" "Kinase" "O14936" "CASK" "CSKP_HUMAN" 5.82 "Kd" "Binding constant for CASK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tbio" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase PknB" "Kinase" "P9WI81" "pknB" "PKNB_MYCTU" 5.38 "Kd" "Binding constant for PKNB(M.tuberculosis) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"ruxolitinib" 4190 "Ephrin type-B receptor 6" "Kinase" "O15197" "EPHB6" "EPHB6_HUMAN" 5.51 "Kd" "Binding constant for EPHB6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Mitogen-activated protein kinase 8" "Kinase" "P45983" "MAPK8" "MK08_HUMAN" 5.32 "Kd" "Binding constant for JNK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase TAO3" "Kinase" "Q9H2K8" "TAOK3" "TAOK3_HUMAN" 6.23 "Kd" "Binding constant for TAOK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tbio" "Homo sapiens" +"ruxolitinib" 4190 "Casein kinase I isoform alpha" "Kinase" "P48729" "CSNK1A1" "KC1A_HUMAN" 5.74 "Kd" "Binding constant for CSNK1A1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Mitogen-activated protein kinase kinase kinase 1" "Kinase" "Q13233" "MAP3K1" "M3K1_HUMAN" 5.38 "Kd" "Binding constant for MAP3K1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tbio" "Homo sapiens" +"ruxolitinib" 4190 "Cyclin-dependent kinase 7" "Kinase" "P50613" "CDK7" "CDK7_HUMAN" 5.48 "Kd" "Binding constant for CDK7 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase SIK3" "Kinase" "Q9Y2K2" "SIK3" "SIK3_HUMAN" 5.89 "Kd" "Binding constant for QSK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Rho-associated protein kinase 2" "Kinase" "O75116" "ROCK2" "ROCK2_HUMAN" 7.28 "Kd" "Binding constant for ROCK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tclin" "Homo sapiens" +"ruxolitinib" 4190 "Death-associated protein kinase 1" "Kinase" "P53355" "DAPK1" "DAPK1_HUMAN" 7.14 "Kd" "Binding constant for DAPK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Uncharacterized serine/threonine-protein kinase SBK3" "Kinase" "P0C264" "SBK3" "SBK3_HUMAN" 5.24 "Kd" "Binding constant for SgK110 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tdark" "Homo sapiens" +"ruxolitinib" 4190 "Death-associated protein kinase 3" "Kinase" "O43293" "DAPK3" "DAPK3_HUMAN" 7.05 "Kd" "Binding constant for DAPK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase PAK 4" "Kinase" "O96013" "PAK4" "PAK4_HUMAN" 5.8 "Kd" "Binding constant for PAK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase DCLK3" "Kinase" "Q9C098" "DCLK3" "DCLK3_HUMAN" 6.59 "Kd" "Binding constant for DCAMKL3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Dual specificity tyrosine-phosphorylation-regulated kinase 1A" "Kinase" "Q13627" "DYRK1A" "DYR1A_HUMAN" 6.04 "Kd" "Binding constant for DYRK1A kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 6.72 "Kd" "Binding constant for RET(V804M) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tclin" "Homo sapiens" +"ruxolitinib" 4190 "Myotonin-protein kinase" "Kinase" "Q09013" "DMPK" "DMPK_HUMAN" 5.46 "Kd" "Binding constant for DMPK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Leukocyte tyrosine kinase receptor" "Kinase" "P29376" "LTK" "LTK_HUMAN" 6.36 "Kd" "Binding constant for LTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tclin" "Homo sapiens" +"ruxolitinib" 4190 "Mitogen-activated protein kinase kinase kinase 19" "Kinase" "Q56UN5" "MAP3K19" "M3K19_HUMAN" 6.57 "Kd" "Binding constant for YSK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase PLK3" "Kinase" "Q9H4B4" "PLK3" "PLK3_HUMAN" 6.15 "Kd" "Binding constant for PLK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "BDNF/NT-3 growth factors receptor" "Kinase" "Q16620" "NTRK2" "NTRK2_HUMAN" 6.44 "Kd" "Binding constant for TRKB kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tclin" "Homo sapiens" +"ruxolitinib" 4190 "NUAK family SNF1-like kinase 2" "Kinase" "Q9H093" "NUAK2" "NUAK2_HUMAN" 6.49 "Kd" "Binding constant for SNARK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Dual specificity mitogen-activated protein kinase kinase 2" "Kinase" "P36507" "MAP2K2" "MP2K2_HUMAN" 5.4 "Kd" "Binding constant for MEK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tclin" "Homo sapiens" +"ruxolitinib" 4190 "Dual specificity mitogen-activated protein kinase kinase 4" "Kinase" "P45985" "MAP2K4" "MP2K4_HUMAN" 5.74 "Kd" "Binding constant for MEK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "SRSF protein kinase 3" "Kinase" "Q9UPE1" "SRPK3" "SRPK3_HUMAN" 5.48 "Kd" "Binding constant for SRPK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase VRK2" "Kinase" "Q86Y07" "VRK2" "VRK2_HUMAN" 5.4 "Kd" "Binding constant for VRK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tbio" "Homo sapiens" +"ruxolitinib" 4190 "ALK tyrosine kinase receptor" "Kinase" "Q9UM73" "ALK" "ALK_HUMAN" 5.82 "Kd" "Binding constant for ALK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tclin" "Homo sapiens" +"ruxolitinib" 4190 "Mitogen-activated protein kinase kinase kinase 3" "Kinase" "Q99759" "MAP3K3" "M3K3_HUMAN" 6.82 "Kd" "Binding constant for MAP3K3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase RIO1" "Kinase" "Q9BRS2" "RIOK1" "RIOK1_HUMAN" 5.6 "Kd" "Binding constant for RIOK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase RIO2" "Kinase" "Q9BVS4" "RIOK2" "RIOK2_HUMAN" 5.92 "Kd" "Binding constant for RIOK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tbio" "Homo sapiens" +"ruxolitinib" 4190 "Serine/threonine-protein kinase ULK1" "Kinase" "O75385" "ULK1" "ULK1_HUMAN" 6.52 "Kd" "Binding constant for ULK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Calcium/calmodulin-dependent protein kinase type II subunit delta" "Kinase" "Q13557" "CAMK2D" "KCC2D_HUMAN" 7.05 "Kd" "Binding constant for CAMK2D kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "cGMP-dependent protein kinase 2" "Kinase" "Q13237" "PRKG2" "KGP2_HUMAN" 6.16 "Kd" "Binding constant for PRKG2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Receptor-interacting serine/threonine-protein kinase 4" "Kinase" "P57078" "RIPK4" "RIPK4_HUMAN" 5.68 "Kd" "Binding constant for RIPK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"ruxolitinib" 4190 "Mitogen-activated protein kinase kinase kinase kinase 2" "Kinase" "Q12851" "MAP4K2" "M4K2_HUMAN" 5.7 "Kd" "Binding constant for MAP4K2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1789941" "Tchem" "Homo sapiens" +"fesoterodine" 4191 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.2706 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201764" "ANTAGONIST" "Tclin" "Homo sapiens" +"fesoterodine" 4191 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.401 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201764" "ANTAGONIST" "Tclin" "Homo sapiens" +"fesoterodine" 4191 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.9788 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"fesoterodine" 4191 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.1871 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"fesoterodine" 4191 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.3925 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"tafamidis" 4192 "Transthyretin" "Secreted" "P02766" "TTR" "TTHY_HUMAN" 6.812 "Kd" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/002294/WC500117862.pdf" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/002294/WC500117862.pdf" "BINDING AGENT" "Tclin" "Homo sapiens" +"tafamidis" 4192 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" 5.9355 "IC50" "DRUG LABEL" "=" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/002294/WC500117862.pdf" "INHIBITOR" "Tchem" "Homo sapiens" +"tafamidis" 4192 "Solute carrier family 22 member 6" "Transporter" "Q4U2R8" "SLC22A6" "S22A6_HUMAN" 5.5376 "IC50" "DRUG LABEL" "=" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/002294/WC500117862.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"tafamidis" 4192 "Solute carrier family 22 member 8" "Transporter" "Q8TCC7" "SLC22A8" "S22A8_HUMAN" 5.6271 "IC50" "DRUG LABEL" "=" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/002294/WC500117862.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"cyanocobalamin" 4196 "Protein amnionless" "Unclassified" "Q9BXJ7" "AMN" "AMNLS_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"cyanocobalamin" 4196 "Cob(I)yrinic acid a,c-diamide adenosyltransferase, mitochondrial" "Enzyme" "Q96EY8" "MMAB" "MMAB_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"cyanocobalamin" 4196 "Methylmalonic aciduria type A protein, mitochondrial" "Enzyme" "Q8IVH4" "MMAA" "MMAA_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"cyanocobalamin" 4196 "Transcobalamin-2" "Secreted" "P20062" "TCN2" "TCO2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"cyanocobalamin" 4196 "Transcobalamin-1" "Secreted" "P20061" "TCN1" "TCO1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"cyanocobalamin" 4196 "Methionine synthase reductase" "Enzyme" "Q9UBK8" "MTRR" "MTRR_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"cyanocobalamin" 4196 "Methionine synthase" "Enzyme" "Q99707" "MTR" "METH_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"vitamin A palmitate" 4197 "Retinol-binding protein 4" "Secreted" "P02753" "RBP4" "RET4_HUMAN" 6.74 "Kd" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL986" "Tchem" "Homo sapiens" +"vitamin A palmitate" 4197 "Beta-lactoglobulin" "Unclassified" "P02754" "LGB" "LACB_BOVIN" 7.44 "Kd" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL986" "Bos taurus" +"potassium chloride" 4199 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 4.05 "Ki" "Inhibition of human carbonic anhydrase 4 by Lineweaver-Burk curves" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200731" "Tclin" "Homo sapiens" +"sodium acetate" 4203 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 4.97 "Ki" "Inhibition of human cytosolic carbonic anhydrase 1 by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1354" "Tclin" "Homo sapiens" +"sodium acetate" 4203 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 4.44 "Ki" "Inhibition of Candida albicans Nce103" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1354" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"sodium bicarbonate" 4205 "pH (H+ ion activity)" "Unclassified" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2005/077394lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2005/077394lbl.pdf" "OTHER" +"lithium carbonate" 4207 "Inositol-1(or 4)-monophosphatase 1" "Enzyme" "P29218" "IMPA1" "IMPA1_HUMAN" "Mechanism of Action; CHEMBL1786; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200826" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200826" "INHIBITOR" "Tclin" "Homo sapiens" +"lithium carbonate" 4207 "Glycogen synthase kinase-3" "Kinase" "P49840|P49841" "GSK3A|GSK3B" "GSK3A_HUMAN|GSK3B_HUMAN" "Mechanism of Action; CHEMBL2095188; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200826" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200826" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"prazosin" 4209 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.581532979 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"prazosin" 4209 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 5.157203605 "IC50" "DRUGMATRIX: Protease, Matrix Metalloprotease-9 (MMP-9) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"prazosin" 4209 "Interstitial collagenase" "Enzyme" "P03956" "MMP1" "MMP1_HUMAN" 5.394048842 "IC50" "DRUGMATRIX: Peptidase, Matrix Metalloproteinase-1 (MMP-1) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"prazosin" 4209 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.73 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"prazosin" 4209 "Alpha-1B adrenergic receptor" "GPCR" "P18841" "ADRA1B" "ADA1B_MESAU" 9.08 "Ki" "Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "Mesocricetus auratus" +"prazosin" 4209 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 5 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "Tchem" "Homo sapiens" +"prazosin" 4209 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.87 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "Tchem" "Homo sapiens" +"prazosin" 4209 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.68 "Ki" "Ability to displace [3H]rauwolscine from cloned human Alpha-2A adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "Tclin" "Homo sapiens" +"prazosin" 4209 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2a|Htr2b|Htr2c" "5HT2A_RAT|5HT2B_RAT|5HT2C_RAT" 4.38 "IC50" "Inhibition of [3H]spiperone binding to 5-hydroxytryptamine 2 receptor from rat cortical membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "Rattus norvegicus" +"prazosin" 4209 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 9.4 "Ki" "Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]prazosin from rat brain cortical membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "Rattus norvegicus" +"prazosin" 4209 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.08 "Ki" "Displacement of [3H]-YM-09151-2 (0.06 nM) from human Dopamine receptor D4 expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "Tchem" "Homo sapiens" +"prazosin" 4209 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 9.7 "Ki" "Compound was tested for binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1D adrenergic receptor" "CHEMBL" "=" 1 "IUPHAR" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=503" "INVERSE AGONIST" "Tclin" "Homo sapiens" +"prazosin" 4209 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 9.48 "Ki" "Binding affinity was determined for the alpha-1D adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "Tclin" "Homo sapiens" +"prazosin" 4209 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 10.4 "Ki" "Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells" "CHEMBL" "=" 1 "IUPHAR" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=503" "INVERSE AGONIST" "Tclin" "Homo sapiens" +"prazosin" 4209 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 9.68 "Ki" "Ability to displace [3H]prazosin from cloned human Alpha-1B adrenergic receptor" "CHEMBL" "=" 1 "IUPHAR" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=503" "INVERSE AGONIST" "Tclin" "Homo sapiens" +"prazosin" 4209 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.8 "IC50" "Inhibitory concentration against potassium channel HERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "Tclin" "Homo sapiens" +"prazosin" 4209 "Alpha-2A adrenergic receptor" "GPCR" "P22909" "Adra2a" "ADA2A_RAT" 5.78 "Ki" "The compound was tested for binding affinity against alpha-2d-adrenoceptor, from rat clones." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "Rattus norvegicus" +"prazosin" 4209 "Alpha-1D adrenergic receptor" "GPCR" "P23944" "Adra1d" "ADA1D_RAT" 9.7 "Ki" "Displacement of [3H]prazosin (0.3 nM) from rat Alpha-1D adrenergic receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "Rattus norvegicus" +"prazosin" 4209 "Alpha-2A adrenergic receptor" "GPCR" "P18871" "ADRA2A" "ADA2A_PIG" 5.39 "Ki" "Compound was evaluated for inhibition of binding of [3H]-RX 821002 to Alpha-2 adrenergic receptor in porcine alpha2-clone" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "Sus scrofa" +"prazosin" 4209 "Alpha-2 adrenergic receptor" "GPCR" "P30545|Q01337|Q01338" "Adra2a|Adra2b|Adra2c" "ADA2A_MOUSE|ADA2B_MOUSE|ADA2C_MOUSE" 7.89 "Ki" "Compound was evaluated for inhibition of binding of [3H]-MK-91 to Alpha-2 adrenergic receptor in mouse NG-108 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "Mus musculus" +"prazosin" 4209 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.89 "Ki" "Ability to displace [3H]rauwolscine from cloned human Alpha-2B adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "Tclin" "Homo sapiens" +"prazosin" 4209 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.62 "Ki" "Ability to displace [3H]rauwolscine from cloned human Alpha-2C adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "Tclin" "Homo sapiens" +"prazosin" 4209 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 4.42 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "Tchem" "Homo sapiens" +"prazosin" 4209 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.8 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "Tchem" "Homo sapiens" +"prazosin" 4209 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 5.82 "Ki" "Displacement of [3H]ketanserin (0.5 nM) from rat cerebral cortex 5-hydroxytryptamine 2A receptors" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "Rattus norvegicus" +"prazosin" 4209 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 9.07 "IC50" "Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "Tchem" "Homo sapiens" +"prazosin" 4209 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 10.99 "Kd" "Alpha-1-adrenolytic activity was assessed in vitro from the ability to inhibit clonidine binding to rat aorta preparation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "Rattus norvegicus" +"prazosin" 4209 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "Tclin|Tclin|Tclin" "Homo sapiens" +"prazosin" 4209 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 9.77 "Ki" "Binding affinity against Alpha-1A adrenergic receptor from bovine clone" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "Bos taurus" +"prazosin" 4209 "Alpha-2A adrenergic receptor" "GPCR" "Q28838" "ADRA2A" "ADA2A_BOVIN" 6.97 "Ki" "Compound was evaluated for inhibition of binding of [3H]MK-91 to Alpha-2 adrenergic receptor in bovine pineal" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "Bos taurus" +"prazosin" 4209 "Ribosyldihydronicotinamide dehydrogenase [quinone]" "Enzyme" "P16083" "NQO2" "NQO2_HUMAN" 8.11 "IC50" "Binding affinity to low affinity melatonin (MT3) site of quinone reductase 2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "Tchem" "Homo sapiens" +"prazosin" 4209 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 10.15 "Ki" "Inhibition of [3H]- prazosin binding against Alpha-1A adrenergic receptor from rat submaxillary gland" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "Rattus norvegicus" +"prazosin" 4209 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.63 "Ki" "The compound was tested for binding affinity on [3H]8-OH-DPAT as specific ligand on 5-hydroxytryptamine 1A receptor in rat hippocampus" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "Rattus norvegicus" +"prazosin" 4209 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 10 "Ki" "Displacement of [3H]prazosin from adrenergic alpha-1B receptor in rat liver membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "Rattus norvegicus" +"prazosin" 4209 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 4.96 "IC50" "Inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat striatal membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "Rattus norvegicus" +"prazosin" 4209 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 9.7 "Ki" "Compound was evaluated for binding affinity towards mu-specific opiate receptor from combinatorial peptoid library" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "Rattus norvegicus" +"prazosin" 4209 "Beta-casein" "Unclassified" "P02665" "Csn2" "CASB_RAT" 9.44 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2" "Rattus norvegicus" +"oxaliplatin" 4210 "DNA" "DNA" "Mechanism of Action" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL414804" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL414804" "OTHER" +"acetic acid" 4211 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 6.05 "Kd" "Dissociation constant for binding to SH2 domain of Fyn protein kinase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL539" "Tclin" "Homo sapiens" +"acetic acid" 4211 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 6.19 "Kd" "Dissociation constant for binding to SH2 domain of p56 lck tyrosine kinase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL539" "Tclin" "Homo sapiens" +"acetic acid" 4211 "Free fatty acid receptor 2" "GPCR" "O15552" "FFAR2" "FFAR2_HUMAN" 4.6 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1058" "AGONIST" "Homo sapiens" +"hydrocortisone acetate" 4213 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action; CHEMBL2034; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1091" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1091" "AGONIST" "Tclin" "Homo sapiens" +"hydrocortisone acetate" 4213 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 7.55 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1091" "Tbio" "Homo sapiens" +"methyldopate" 4218 "Adrenergic receptor alpha-2" "GPCR" "P08913|P18089|P18825" "ADRA2A|ADRA2B|ADRA2C" "ADA2A_HUMAN|ADA2B_HUMAN|ADA2C_HUMAN" "Mechanism of Action; CHEMBL2095158; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200432" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200432" "AGONIST" "Tclin|Tclin|Tclin" "Homo sapiens" +"sodium phosphate" 4219 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.01 "Ki" "Inhibition constant of anion against human carbonic anhydrase isozyme hCA IV" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1060" "Tclin" "Homo sapiens" +"telbivudine" 4220 "Protein P" "Polyprotein" "Q9IF40" "P" "Q9IF40_HBV" 5.88605642318726 "EC50" "first strand synthesis" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/022011s013lbl.pdf" "INHIBITOR" "Hepatitis B virus" +"mequinol" 4221 "Tyrosinase" "Enzyme" "P14679" "TYR" "TYRO_HUMAN" "Mechanism of Action; CHEMBL1973; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL544" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL544" "INHIBITOR" "Tclin" "Homo sapiens" +"vilazodone" 4223 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 9.3 "IC50" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7427" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL439849" "INHIBITOR" "Tclin" "Homo sapiens" +"vilazodone" 4223 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 9.7 "Ki" "Binding of vilazodone to human 5-HT1A receptors against [3H]8-OH-DPAT (DPAT)" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7427" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL439849" "AGONIST" "Tclin" "Homo sapiens" +"vilazodone" 4223 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.18 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7427" "AGONIST" "Tclin" "Homo sapiens" +"vilazodone" 4223 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.5 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7427" "AGONIST" "Tclin" "Homo sapiens" +"vilazodone" 4223 "5-hydroxytryptamine receptor 4" "GPCR" "Q13639" "HTR4" "5HT4R_HUMAN" 6.6 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7427" "AGONIST" "Tclin" "Homo sapiens" +"vilazodone" 4223 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.15 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7427" "AGONIST" "Tclin" "Homo sapiens" +"vilazodone" 4223 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 5.52 "IC50" "Inhibition of rat hydroxytryptamine 7 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL439849" "Rattus norvegicus" +"vilazodone" 4223 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 7.15 "IC50" "Inhibition of rat dopamine D3 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL439849" "Rattus norvegicus" +"vilazodone" 4223 "Serotonin 3 (5-HT3) receptor" "Ion channel" "P35563|Q9JJ16" "Htr3a|Htr3b" "5HT3A_RAT|5HT3B_RAT" 5.37 "IC50" "Inhibition against rat hydroxytryptamine 3 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL439849" "Rattus norvegicus" +"vilazodone" 4223 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 5.7 "IC50" "Inhibition of rat hydroxytryptamine 2C receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL439849" "Rattus norvegicus" +"vilazodone" 4223 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 5.82 "IC50" "Inhibition of rat hydroxytryptamine 2A receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL439849" "Rattus norvegicus" +"vilazodone" 4223 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 9.3 "IC50" "Inhibition of [3H]5-HT re-uptake in rat synaptosomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL439849" "Rattus norvegicus" +"vilazodone" 4223 "D(4) dopamine receptor" "GPCR" "P30729" "Drd4" "DRD4_RAT" 5.47 "IC50" "Inhibition of rat dopamine D4 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL439849" "Rattus norvegicus" +"vilazodone" 4223 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 5.52 "IC50" "Inhibition of rat hydroxytryptamine 6 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL439849" "Rattus norvegicus" +"vilazodone" 4223 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.3 "IC50" "Inhibition of rat hydroxytryptamine 1B receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL439849" "Rattus norvegicus" +"vilazodone" 4223 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 9.52 "IC50" "Inhibition of 8-OH DPAT binding to rat hydroxytryptamine 1A receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL439849" "Rattus norvegicus" +"vilazodone" 4223 "5-hydroxytryptamine receptor 1D" "GPCR" "P28565" "Htr1d" "5HT1D_RAT" 5.4 "IC50" "Inhibition of rat hydroxytryptamine 1D receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL439849" "Rattus norvegicus" +"vilazodone" 4223 "Adrenergic receptor alpha-2" "GPCR" "P08913|P18089|P18825" "ADRA2A|ADRA2B|ADRA2C" "ADA2A_HUMAN|ADA2B_HUMAN|ADA2C_HUMAN" 5.22 "IC50" "Inhibition of alpha-2-adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL439849" "Tclin|Tclin|Tclin" "Homo sapiens" +"vilazodone" 4223 "Adrenergic receptor alpha-1" "GPCR" "P25100|P35348|P35368" "ADRA1A|ADRA1B|ADRA1D" "ADA1A_HUMAN|ADA1B_HUMAN|ADA1D_HUMAN" 5.7 "IC50" "Inhibition of alpha-1-adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL439849" "Tclin|Tclin|Tclin" "Homo sapiens" +"vilazodone" 4223 "5-hydroxytryptamine receptor 4" "GPCR" "Q62758" "Htr4" "5HT4R_RAT" 6.6 "IC50" "Inhibition of rat hydroxytryptamine 4 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL439849" "Rattus norvegicus" +"vilazodone" 4223 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 6.18 "IC50" "Displacement of [3H]spiperone from dopamine D2 receptor of rat striatal membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL439849" "Rattus norvegicus" +"axitinib" 4225 "Mitogen-activated protein kinase 10" "Kinase" "P53779" "MAPK10" "MK10_HUMAN" 5.96 "Kd" "Binding constant for JNK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Dual specificity mitogen-activated protein kinase kinase 1" "Kinase" "Q02750" "MAP2K1" "MP2K1_HUMAN" 5.57 "Kd" "Binding constant for MEK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tclin" "Homo sapiens" +"axitinib" 4225 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 8.82 "Kd" "Binding constant for ABL1(T315I)-phosphorylated kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tclin" "Homo sapiens" +"axitinib" 4225 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 7.51 "Kd" "Binding constant for FLT3(K663Q) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tclin" "Homo sapiens" +"axitinib" 4225 "Cyclin-dependent kinase-like 2" "Kinase" "Q92772" "CDKL2" "CDKL2_HUMAN" 6.28 "Kd" "Binding constant for CDKL2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tbio" "Homo sapiens" +"axitinib" 4225 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.64 "Kd" "Binding constant for EGFR(G719C) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tclin" "Homo sapiens" +"axitinib" 4225 "Vascular endothelial growth factor receptor 1" "Kinase" "P17948" "FLT1" "VGFR1_HUMAN" 8.24 "Kd" "Binding constant for FLT1 kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "INHIBITOR" "Tclin" "Homo sapiens" +"axitinib" 4225 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 8.23 "Kd" "Binding constant for VEGFR2 kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "INHIBITOR" "Tclin" "Homo sapiens" +"axitinib" 4225 "Fibroblast growth factor receptor 3" "Kinase" "P22607" "FGFR3" "FGFR3_HUMAN" 6.68 "Kd" "Binding constant for FGFR3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tclin" "Homo sapiens" +"axitinib" 4225 "SRSF protein kinase 1" "Kinase" "Q96SB4" "SRPK1" "SRPK1_HUMAN" 5.74 "Kd" "Binding constant for SRPK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 9.29 "Kd" "Binding constant for PDGFRA kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tclin" "Homo sapiens" +"axitinib" 4225 "Serine/threonine-protein kinase RIO3" "Kinase" "O14730" "RIOK3" "RIOK3_HUMAN" 6 "Kd" "Binding constant for RIOK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 6.09 "Kd" "Binding constant for MET kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tclin" "Homo sapiens" +"axitinib" 4225 "Receptor-interacting serine/threonine-protein kinase 2" "Kinase" "O43353" "RIPK2" "RIPK2_HUMAN" 5 "Kd" "Binding constant for RIPK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 5.48 "Kd" "Binding constant for JAK2(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tclin" "Homo sapiens" +"axitinib" 4225 "Cyclin-G-associated kinase" "Kinase" "O14976" "GAK" "GAK_HUMAN" 5.57 "Kd" "Binding constant for GAK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Aurora kinase A" "Kinase" "O14965" "AURKA" "AURKA_HUMAN" 7.14 "Kd" "Binding constant for AURKA kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Dual specificity mitogen-activated protein kinase kinase 5" "Kinase" "Q13163" "MAP2K5" "MP2K5_HUMAN" 6.85 "Kd" "Binding constant for MEK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Tyrosine-protein kinase ITK/TSK" "Kinase" "Q08881" "ITK" "ITK_HUMAN" 5.92 "Kd" "Binding constant for ITK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tclin" "Homo sapiens" +"axitinib" 4225 "Mitogen-activated protein kinase kinase kinase MLT" "Kinase" "Q9NYL2" "ZAK" "MLTK_HUMAN" 5.59 "Kd" "Binding constant for ZAK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Interferon-induced, double-stranded RNA-activated protein kinase" "Kinase" "P19525" "EIF2AK2" "E2AK2_HUMAN" 5.13 "Kd" "Binding constant for PRKR kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tbio" "Homo sapiens" +"axitinib" 4225 "Mitogen-activated protein kinase kinase kinase kinase 1" "Kinase" "Q92918" "MAP4K1" "M4K1_HUMAN" 6.48 "Kd" "Binding constant for HPK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Tyrosine-protein kinase Fgr" "Kinase" "P09769" "FGR" "FGR_HUMAN" 5.74 "Kd" "Binding constant for FGR kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Dual specificity protein kinase TTK" "Kinase" "P33981" "TTK" "TTK_HUMAN" 5.41 "Kd" "Binding constant for TTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 5.92 "Kd" "Binding constant for LOK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Serine/threonine-protein kinase 16" "Kinase" "O75716" "STK16" "STK16_HUMAN" 6.43 "Kd" "Binding constant for STK16 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Serine/threonine-protein kinase PLK4" "Kinase" "O00444" "PLK4" "PLK4_HUMAN" 8.38 "Ki" "Inhibition of human PLK4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "AP2-associated protein kinase 1" "Kinase" "Q2M2I8" "AAK1" "AAK1_HUMAN" 5.92 "Kd" "Binding constant for AAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 5.51 "Kd" "Binding constant for JAK3(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tclin" "Homo sapiens" +"axitinib" 4225 "Casein kinase II subunit alpha'" "Kinase" "P19784" "CSNK2A2" "CSK22_HUMAN" 5.55 "Kd" "Binding constant for CSNK2A2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Tyrosine-protein kinase Yes" "Kinase" "P07947" "YES1" "YES_HUMAN" 5.57 "Kd" "Binding constant for YES kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tclin" "Homo sapiens" +"axitinib" 4225 "Serine/threonine-protein kinase N2" "Kinase" "Q16513" "PKN2" "PKN2_HUMAN" 5.57 "Kd" "Binding constant for PKN2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Tyrosine-protein kinase CSK" "Kinase" "P41240" "CSK" "CSK_HUMAN" 5.96 "Kd" "Binding constant for CSK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Aurora kinase C" "Kinase" "Q9UQB9" "AURKC" "AURKC_HUMAN" 8.89 "Kd" "Binding constant for AURKC kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "High affinity nerve growth factor receptor" "Kinase" "P04629" "NTRK1" "NTRK1_HUMAN" 5.74 "Kd" "Binding constant for TRKA kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tclin" "Homo sapiens" +"axitinib" 4225 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 9.24 "Kd" "Binding constant for PDGFRB kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tclin" "Homo sapiens" +"axitinib" 4225 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 6.42 "Kd" "Binding constant for FGFR1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tclin" "Homo sapiens" +"axitinib" 4225 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" 6.96 "Kd" "Binding constant for FGFR2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tclin" "Homo sapiens" +"axitinib" 4225 "Myosin-IIIa" "Kinase" "Q8NEV4" "MYO3A" "MYO3A_HUMAN" 5.72 "Kd" "Binding constant for MYO3A kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tbio" "Homo sapiens" +"axitinib" 4225 "Ankyrin repeat and protein kinase domain-containing protein 1" "Kinase" "Q8NFD2" "ANKK1" "ANKK1_HUMAN" 5.44 "Kd" "Binding constant for ANKK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tbio" "Homo sapiens" +"axitinib" 4225 "Mitogen-activated protein kinase kinase kinase 4" "Kinase" "Q9Y6R4" "MAP3K4" "M3K4_HUMAN" 5.25 "Kd" "Binding constant for MAP3K4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tbio" "Homo sapiens" +"axitinib" 4225 "Mitogen-activated protein kinase kinase kinase kinase 5" "Kinase" "Q9Y4K4" "MAP4K5" "M4K5_HUMAN" 6.26 "Kd" "Binding constant for MAP4K5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Misshapen-like kinase 1" "Kinase" "Q8N4C8" "MINK1" "MINK1_HUMAN" 6.25 "Kd" "Binding constant for MINK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Leucine-rich repeat serine/threonine-protein kinase 2" "Kinase" "Q5S007" "LRRK2" "LRRK2_HUMAN" 6.04 "Kd" "Binding constant for LRRK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 9.31 "Kd" "Binding constant for KIT(V559D) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tclin" "Homo sapiens" +"axitinib" 4225 "BMP-2-inducible protein kinase" "Kinase" "Q9NSY1" "BMP2K" "BMP2K_HUMAN" 6 "Kd" "Binding constant for BIKE kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "TRAF2 and NCK-interacting protein kinase" "Kinase" "Q9UKE5" "TNIK" "TNIK_HUMAN" 6.74 "Kd" "Binding constant for TNIK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Calcium/calmodulin-dependent protein kinase kinase 2" "Kinase" "Q96RR4" "CAMKK2" "KKCC2_HUMAN" 5.82 "Kd" "Binding constant for CAMKK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Aurora kinase B" "Kinase" "Q96GD4" "AURKB" "AURKB_HUMAN" 7.96 "Kd" "Binding constant for AURKB kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "STE20-like serine/threonine-protein kinase" "Kinase" "Q9H2G2" "SLK" "SLK_HUMAN" 6 "Kd" "Binding constant for SLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Bone morphogenetic protein receptor type-1B" "Kinase" "O00238" "BMPR1B" "BMR1B_HUMAN" 5.54 "Kd" "Binding constant for BMPR1B kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tbio" "Homo sapiens" +"axitinib" 4225 "Non-receptor tyrosine-protein kinase TYK2" "Kinase" "P29597" "TYK2" "TYK2_HUMAN" 5.44 "Kd" "Binding constant for TYK2(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tclin" "Homo sapiens" +"axitinib" 4225 "Interleukin-1 receptor-associated kinase 1" "Kinase" "P51617" "IRAK1" "IRAK1_HUMAN" 5.51 "Kd" "Binding constant for IRAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Serine/threonine-protein kinase 4" "Kinase" "Q13043" "STK4" "STK4_HUMAN" 5.85 "Kd" "Binding constant for MST1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Calcium/calmodulin-dependent protein kinase kinase 1" "Kinase" "Q8N5S9" "CAMKK1" "KKCC1_HUMAN" 5.85 "Kd" "Binding constant for CAMKK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Serine/threonine-protein kinase 3" "Kinase" "Q13188" "STK3" "STK3_HUMAN" 5.66 "Kd" "Binding constant for MST2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Serine/threonine-protein kinase ULK2" "Kinase" "Q8IYT8" "ULK2" "ULK2_HUMAN" 5 "Kd" "Binding constant for ULK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Activated CDC42 kinase 1" "Kinase" "Q07912" "TNK2" "ACK1_HUMAN" 5.22 "Kd" "Binding constant for TNK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tclin" "Homo sapiens" +"axitinib" 4225 "Cyclin-dependent kinase 16" "Kinase" "Q00536" "CDK16" "CDK16_HUMAN" 5.28 "Kd" "Binding constant for PCTK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Mitogen-activated protein kinase kinase kinase kinase 3" "Kinase" "Q8IVH8" "MAP4K3" "M4K3_HUMAN" 5.92 "Kd" "Binding constant for MAP4K3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Dual specificity testis-specific protein kinase 1" "Kinase" "Q15569" "TESK1" "TESK1_HUMAN" 5.37 "Kd" "Binding constant for TESK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tbio" "Homo sapiens" +"axitinib" 4225 "Serine/threonine-protein kinase MRCK beta" "Kinase" "Q9Y5S2" "CDC42BPB" "MRCKB_HUMAN" 5.32 "Kd" "Binding constant for MRCKB kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tbio" "Homo sapiens" +"axitinib" 4225 "G protein-coupled receptor kinase 4" "Kinase" "P32298" "GRK4" "GRK4_HUMAN" 5.64 "Kd" "Binding constant for GRK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Serine/threonine-protein kinase ULK3" "Kinase" "Q6PHR2" "ULK3" "ULK3_HUMAN" 6.17 "Kd" "Binding constant for ULK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Abelson tyrosine-protein kinase 2" "Kinase" "P42684" "ABL2" "ABL2_HUMAN" 7.15 "Kd" "Binding constant for ABL2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Activin receptor type-2B" "Kinase" "Q13705" "ACVR2B" "AVR2B_HUMAN" 5.28 "Kd" "Binding constant for ACVR2B kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Tyrosine-protein kinase Blk" "Kinase" "P51451" "BLK" "BLK_HUMAN" 5.51 "Kd" "Binding constant for BLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 6.51 "Kd" "Binding constant for TIE2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tclin" "Homo sapiens" +"axitinib" 4225 "Proto-oncogene tyrosine-protein kinase ROS" "Kinase" "P08922" "ROS1" "ROS1_HUMAN" 5.49 "Kd" "Binding constant for ROS1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tclin" "Homo sapiens" +"axitinib" 4225 "Ephrin type-B receptor 6" "Kinase" "O15197" "EPHB6" "EPHB6_HUMAN" 6.44 "Kd" "Binding constant for EPHB6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Mitogen-activated protein kinase 8" "Kinase" "P45983" "MAPK8" "MK08_HUMAN" 5.41 "Kd" "Binding constant for JNK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Macrophage colony-stimulating factor 1 receptor" "Kinase" "P07333" "CSF1R" "CSF1R_HUMAN" 7.68 "Kd" "Binding constant for CSF1R kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tclin" "Homo sapiens" +"axitinib" 4225 "Vascular endothelial growth factor receptor 3" "Kinase" "P35916" "FLT4" "VGFR3_HUMAN" 6.77 "Kd" "Binding constant for FLT4 kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "INHIBITOR" "Tclin" "Homo sapiens" +"axitinib" 4225 "Hormonally up-regulated neu tumor-associated kinase" "Kinase" "P57058" "HUNK" "HUNK_HUMAN" 5.82 "Kd" "Binding constant for HUNK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tbio" "Homo sapiens" +"axitinib" 4225 "Discoidin domain-containing receptor 2" "Kinase" "Q16832" "DDR2" "DDR2_HUMAN" 5.28 "Kd" "Binding constant for DDR2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Tyrosine-protein kinase receptor Tie-1" "Kinase" "P35590" "TIE1" "TIE1_HUMAN" 7.01 "Kd" "Binding constant for TIE1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Serine/threonine-protein kinase PAK 4" "Kinase" "O96013" "PAK4" "PAK4_HUMAN" 5.35 "Kd" "Binding constant for PAK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 7 "Kd" "Binding constant for RET(M918T) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tclin" "Homo sapiens" +"axitinib" 4225 "Epithelial discoidin domain-containing receptor 1" "Kinase" "Q08345" "DDR1" "DDR1_HUMAN" 6.47 "Kd" "Binding constant for DDR1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Mitogen-activated protein kinase kinase kinase kinase 4" "Kinase" "O95819" "MAP4K4" "M4K4_HUMAN" 6.46 "Kd" "Binding constant for MAP4K4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 5.57 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tclin" "Homo sapiens" +"axitinib" 4225 "Myosin light chain kinase 2, skeletal/cardiac muscle" "Kinase" "Q9H1R3" "MYLK2" "MYLK2_HUMAN" 5.89 "Kd" "Binding constant for MYLK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tbio" "Homo sapiens" +"axitinib" 4225 "Mitogen-activated protein kinase kinase kinase 9" "Kinase" "P80192" "MAP3K9" "M3K9_HUMAN" 5.52 "Kd" "Binding constant for MLK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Mitogen-activated protein kinase kinase kinase 19" "Kinase" "Q56UN5" "MAP3K19" "M3K19_HUMAN" 6.57 "Kd" "Binding constant for YSK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Tyrosine-protein kinase receptor UFO" "Kinase" "P30530" "AXL" "UFO_HUMAN" 6.38 "Kd" "Binding constant for AXL kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "NUAK family SNF1-like kinase 2" "Kinase" "Q9H093" "NUAK2" "NUAK2_HUMAN" 5.89 "Kd" "Binding constant for SNARK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Dual specificity mitogen-activated protein kinase kinase 2" "Kinase" "P36507" "MAP2K2" "MP2K2_HUMAN" 5.59 "Kd" "Binding constant for MEK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tclin" "Homo sapiens" +"axitinib" 4225 "SRSF protein kinase 3" "Kinase" "Q9UPE1" "SRPK3" "SRPK3_HUMAN" 5.64 "Kd" "Binding constant for SRPK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Tyrosine-protein kinase TXK" "Kinase" "P42681" "TXK" "TXK_HUMAN" 5.62 "Kd" "Binding constant for TXK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Mitogen-activated protein kinase kinase kinase 12" "Kinase" "Q12852" "MAP3K12" "M3K12_HUMAN" 5.77 "Kd" "Binding constant for DLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Myosin light chain kinase 3" "Kinase" "Q32MK0" "MYLK3" "MYLK3_HUMAN" 5.77 "Kd" "Binding constant for MLCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Receptor-interacting serine/threonine-protein kinase 1" "Kinase" "Q13546" "RIPK1" "RIPK1_HUMAN" 5.6 "Kd" "Binding constant for RIPK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Mitogen-activated protein kinase kinase kinase 3" "Kinase" "Q99759" "MAP3K3" "M3K3_HUMAN" 5.55 "Kd" "Binding constant for MAP3K3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Serine/threonine-protein kinase RIO1" "Kinase" "Q9BRS2" "RIOK1" "RIOK1_HUMAN" 5.92 "Kd" "Binding constant for RIOK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Receptor-interacting serine/threonine-protein kinase 4" "Kinase" "P57078" "RIPK4" "RIPK4_HUMAN" 5.85 "Kd" "Binding constant for RIPK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Serine/threonine-protein kinase SIK1" "Kinase" "P57059" "SIK1" "SIK1_HUMAN" 5.68 "Kd" "Binding constant for SIK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Mitogen-activated protein kinase kinase kinase kinase 2" "Kinase" "Q12851" "MAP4K2" "M4K2_HUMAN" 5.89 "Kd" "Binding constant for MAP4K2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Tyrosine-protein kinase Mer" "Kinase" "Q12866" "MERTK" "MERTK_HUMAN" 5.49 "Kd" "Binding constant for MERTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"axitinib" 4225 "Non-receptor tyrosine-protein kinase TNK1" "Kinase" "Q13470" "TNK1" "TNK1_HUMAN" 6.8 "Kd" "Binding constant for TNK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "Tchem" "Homo sapiens" +"ingenol mebutate" 4226 "Protein kinase C delta type" "Kinase" "Q05655" "PRKCD" "KPCD_HUMAN" 8.32790184020996 "EC50" "Colo-205 cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/15126366" "http://www.ncbi.nlm.nih.gov/pubmed/15126366" "ACTIVATOR" "Tclin" "Homo sapiens" +"ingenol mebutate" 4226 "Protein kinase C alpha type" "Kinase" "P17252" "PRKCA" "KPCA_HUMAN" 6.19722604751587 "EC50" "Colo-205 cells" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/15126366" "Tchem" "Homo sapiens" +"ingenol mebutate" 4226 "Protein kinase C beta type" "Kinase" "P05771" "PRKCB" "KPCB_HUMAN" 6.83564710617065 "EC50" "Colo-205 cells" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/15126366" "Homo sapiens" +"ingenol mebutate" 4226 "Protein kinase C epsilon type" "Kinase" "Q02156" "PRKCE" "KPCE_HUMAN" 8.95860767364502 "EC50" "Colo-205 cells" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/15126366" "Tchem" "Homo sapiens" +"ingenol mebutate" 4226 "Serine/threonine-protein kinase D1" "Kinase" "Q15139" "PRKD1" "KPCD1_HUMAN" 7.52287864685059 "EC50" "Colo-205 cells" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/15126366" "Tchem" "Homo sapiens" +"ingenol mebutate" 4226 "Protein kinase C gamma type" "Kinase" "P05129" "PRKCG" "KPCG_HUMAN" 9.79 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7443" "ACTIVATOR" "Tchem" "Homo sapiens" +"vismodegib" 4227 "Sonic hedgehog protein" "Enzyme" "Q15465" "SHH" "SHH_HUMAN" 7.82 "IC50" "Inhibition of human SHH pathway in mouse S12 cells assessed as GLI-mediated transcriptional activity after 48 hrs by luciferase reporter gene assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL473417" "Tchem" "Homo sapiens" +"vismodegib" 4227 "Sonic hedgehog protein" "Enzyme" "Q62226" "Shh" "SHH_MOUSE" 8.52 "IC50" "Inhibition of SHH in mouse Shh Light2 cells by GLI-responsive firefly luciferase reporter gene assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL473417" "Mus musculus" +"vismodegib" 4227 "Smoothened homolog" "GPCR" "Q99835" "SMO" "SMO_HUMAN" 7.79 "Ki" "Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL473417" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL473417" "INHIBITOR" "Tclin" "Homo sapiens" +"vismodegib" 4227 "Smoothened homolog" "GPCR" "P56726" "Smo" "SMO_MOUSE" 8.3 "IC50" "Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL473417" "Mus musculus" +"ivacaftor" 4228 "Cystic fibrosis transmembrane conductance regulator" "Ion channel" "P13569" "CFTR" "CFTR_HUMAN" 8.52 "EC50" "Potentiation of human CFTR F508del mutant expressed in mouse NIH-3T3 cells after 30 mins by fluorescent voltage sensing optical assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2010601" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2010601" "POSITIVE MODULATOR" "Tclin" "Homo sapiens" +"tafluprost" 4229 "Prostaglandin F2-alpha receptor" "GPCR" "P43088" "PTGFR" "PF2R_HUMAN" "Mechanism of Action; CHEMBL1987; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1963683" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1963683" "AGONIST" "Tclin" "Homo sapiens" +"peginesatide" 4234 "Erythropoietin receptor" "Membrane receptor" "P19235" "EPOR" "EPOR_HUMAN" 10.43 "IC50" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7447" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/202799s001lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"avobenzone" 4242 "Tyrosinase" "Enzyme" "P14679" "TYR" "TYRO_HUMAN" "Mechanism of Action; CHEMBL1973; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200522" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200522" "INHIBITOR" "Tclin" "Homo sapiens" +"neomycin" 4247 "Lethal factor" "Enzyme" "P15917" "lef" "LEF_BACAN" 6.3 "Ki" "Inhibition of anthrax lethal factor metalloprotease" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1275977" "Bacillus anthracis" +"neomycin" 4247 "Transient receptor potential cation channel subfamily V member 1" "Ion channel" "Q8NER1" "TRPV1" "TRPV1_HUMAN" 6.4 "IC50" "Inhibition of TRPV1-mediated membrane currents in human DRG neurons" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1275977" "Tclin" "Homo sapiens" +"neomycin" 4247 "Menin" "Unclassified" "O00255" "MEN1" "MEN1_HUMAN" 4.81 "Kd" "Binding affinity to menin (unknown origin) by isothermal titration calorimetry analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1275977" "Tchem" "Homo sapiens" +"neomycin" 4247 "Lecithin retinol acyltransferase" "Enzyme" "O95237" "LRAT" "LRAT_HUMAN" 4.83 "IC50" "Compound tested in vitro for inhibition of translation using highly active Escherichia coli S30 and a plasmid containing a gene expressing truncated lecithin retinol acyltransferase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1275977" "Tbio" "Homo sapiens" +"neomycin" 4247 "Extracellular calcium-sensing receptor" "Unclassified" "P48442" "Casr" "CASR_RAT" 4 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=709" "AGONIST" "Rattus norvegicus" +"pyrithione zinc" 4248 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.27 "Ki" "Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200471" "Tclin" "Homo sapiens" +"pyrithione zinc" 4248 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.21 "Ki" "Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200471" "Tclin" "Homo sapiens" +"pyrithione zinc" 4248 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 5.38 "Ki" "Inhibition of human recombinant carbonic anhydrase 13 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200471" "Tclin" "Homo sapiens" +"pyrithione zinc" 4248 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 5.79 "Ki" "Inhibition of human recombinant carbonic anhydrase 3 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200471" "Tclin" "Homo sapiens" +"pyrithione zinc" 4248 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 5.29 "Ki" "Inhibition of human recombinant carbonic anhydrase 5A preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200471" "Tclin" "Homo sapiens" +"pyrithione zinc" 4248 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 5.54 "Ki" "Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200471" "Tclin" "Homo sapiens" +"pyrithione zinc" 4248 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 5.11 "Ki" "Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200471" "Tclin" "Homo sapiens" +"pyrithione zinc" 4248 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 5.76 "Ki" "Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200471" "Tclin" "Homo sapiens" +"pyrithione zinc" 4248 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 5.45 "Ki" "Inhibition of human recombinant carbonic anhydrase 5B preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200471" "Tclin" "Homo sapiens" +"pyrithione zinc" 4248 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 5.62 "Ki" "Inhibition of human recombinant carbonic anhydrase 6 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200471" "Tclin" "Homo sapiens" +"bismuth subsalicylate" 4257 "Cyclooxygenase" "Enzyme" "P23219|P35354" "PTGS1|PTGS2" "PGH1_HUMAN|PGH2_HUMAN" "Mechanism of Action; CHEMBL2094253; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1120" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1120" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"thymol" 4258 "Transient receptor potential cation channel subfamily M member 8" "Unclassified" "Q8R455" "Trpm8" "TRPM8_RAT" 4.28 "EC50" "Activation of rat TRPM8 expressed in HEK293 cells assessed as stimulation of intracellular Ca2+ levels" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL29411" "Rattus norvegicus" +"thymol" 4258 "Transient receptor potential cation channel subfamily A member 1" "Ion channel" "O75762" "TRPA1" "TRPA1_HUMAN" 5.22 "EC50" "Activation of human TRPA1 assessed as stimulation of intracellular Ca2+ levels" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL29411" "Tclin" "Homo sapiens" +"sulfur" 4260 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 6.22 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2105487" "Tclin" "Homo sapiens" +"sulfur" 4260 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 4.4 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2105487" "Tclin" "Homo sapiens" +"gentamicin" 4265 "Dihydrofolate reductase" "Enzyme" "P00374" "DHFR" "DYR_HUMAN" 4.74 "IC50" "Inhibition of human DHFR after 2 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3039594" "Tclin" "Homo sapiens" +"gentamicin" 4265 "Dihydrofolate reductase" "Unclassified" "P00376" "DHFR" "DYR_BOVIN" 4.6 "IC50" "Inhibition of bovine DHFR after 2 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3039594" "Bos taurus" +"gentamicin" 4265 "Transient receptor potential cation channel subfamily A member 1" "Unclassified" "Q8BLA8" "Trpa1" "TRPA1_MOUSE" 5.2 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2427" "GATING INHIBITOR" "Mus musculus" +"phenol" 4266 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.26 "Ki" "Inhibition of human CA2 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14060" "Tclin" "Homo sapiens" +"phenol" 4266 "Endolysin" "Enzyme" "P00720" "E" "ENLYS_BPT4" 4.04 "Kd" "Dissociation constant against T4 lysozyme mutant L99A/M102Q" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14060" "Enterobacteria phage T4" +"phenol" 4266 "Carbonic anhydrase 2" "Unclassified" "Q3I4V7" "CAN2" "Q3I4V7_CRYNV" 4.59 "Ki" "Inhibition of Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14060" "Cryptococcus neoformans var. grubii" +"phenol" 4266 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.04 "Ki" "Inhibition of human CA12 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14060" "Tclin" "Homo sapiens" +"phenol" 4266 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.02 "Ki" "Inhibition of human CA4 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14060" "Tclin" "Homo sapiens" +"phenol" 4266 "Carbonic anhydrase" "Unclassified" "Q2PCB5" "ca" "Q2PCB5_DICLA" 4.86 "Ki" "Inhibition of Dicentrarchus labrax CA using 4-nitrophenylacetate substrate by esterase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14060" "Dicentrarchus labrax" +"phenol" 4266 "Probable transmembrane carbonic anhydrase (Carbonate dehydratase) (Carbonic dehydratase); Transmembrane carbonic anhydrase" "Enzyme" "P96878" "P96878_MYCTU" 4.1 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant Rv3273 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14060" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"phenol" 4266 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 5.57 "Ki" "Inhibition of human CA3 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14060" "Tclin" "Homo sapiens" +"phenol" 4266 "Beta-carbonic anhydrase 1" "Enzyme" "P9WPJ7" "mtcA1" "MTCA1_MYCTU" 4.19 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant Rv1284 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14060" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"phenol" 4266 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 4.94 "Ki" "Inhibition of human CA14 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14060" "Tclin" "Homo sapiens" +"phenol" 4266 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 5.06 "Ki" "Inhibition of human CA9 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14060" "Tclin" "Homo sapiens" +"phenol" 4266 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 4.98 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14060" "Mus musculus" +"phenol" 4266 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5 "Ki" "Inhibition of human recombinant alpha-carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14060" "Tclin" "Homo sapiens" +"phenol" 4266 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 4.76 "Ki" "Inhibition of Candida albicans recombinant Nce103 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14060" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"arbutin" 4267 "Tyrosinase" "Enzyme" "P14679" "TYR" "TYRO_HUMAN" 4.52 "IC50" "Inhibition of tyrosinase in Melan-a cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL232202" "Tclin" "Homo sapiens" +"arbutin" 4267 "Tyrosinase" "Unclassified" "P11344" "Tyr" "TYRO_MOUSE" 4.52 "IC50" "Inhibition of tyrosinase in mouse Melan-a cells by ELISA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL232202" "Mus musculus" +"piperonyl butoxide" 4276 "Cytochrome P450" "Enzyme" "E0V9R7|E0VAD1|E0VBK5|E0VCA5|E0VCW8|E0VCW9|E0VDM3|E0VDR0|E0VED4|E0VGV6|E0VHL8|E0VHZ1|E0VJJ0|E0VM29|E0VMV6|E0VMV7|E0VMW9|E0VQ45|E0VQ46|E0VQ47|E0VRD2|E0VSD4|E0VSD5|E0VUR0|E0VUR1|E0VV39|E0VV52|E0VV70|E0VV72|E0VXT9|E0VZW4|E0W115|E0W2B1|E0W389|E0W4F7" "E0V9R7_PEDHC|E0VAD1_PEDHC|E0VBK5_PEDHC|E0VCA5_PEDHC|E0VCW8_PEDHC|E0VCW9_PEDHC|E0VDM3_PEDHC|E0VDR0_PEDHC|E0VED4_PEDHC|E0VGV6_PEDHC|E0VHL8_PEDHC|E0VHZ1_PEDHC|E0VJJ0_PEDHC|E0VM29_PEDHC|E0VMV6_PEDHC|E0VMV7_PEDHC|E0VMW9_PEDHC|E0VQ45_PEDHC|E0VQ46_PEDHC|E0VQ47_PEDHC|E0VRD2_PEDHC|E0VSD4_PEDHC|E0VSD5_PEDHC|E0VUR0_PEDHC|E0VUR1_PEDHC|E0VV39_PEDHC|E0VV52_PEDHC|E0VV70_PEDHC|E0VV72_PEDHC|E0VXT9_PEDHC|E0VZW4_PEDHC|E0W115_PEDHC|E0W2B1_PEDHC|E0W389_PEDHC|E0W4F7_PEDHC" "Mechanism of Action; CHEMBL2364702; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201131" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201131" "INHIBITOR" "Pediculus humanus subsp. corporis" +"tapentadol" 4283 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 7.01772880554199 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201776" "AGONIST" "Tclin" "Homo sapiens" +"tapentadol" 4283 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.31875896453857 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201776" "INHIBITOR" "Tclin" "Homo sapiens" +"Florbetapir F-18" 4285 "Amyloid beta A4 protein" "Unclassified" "P05067" "APP" "A4_HUMAN" 8.54 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL578378" "Homo sapiens" +"calcium acetate" 4287 "phosphate" "Metabolite" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2001/21160lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2001/21160lbl.pdf" "SEQUESTERING AGENT" +"doconexent" 4289 "Free fatty acid receptor 1" "GPCR" "O14842" "FFAR1" "FFAR1_HUMAN" 6 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1051" "AGONIST" "Tchem" "Homo sapiens" +"doconexent" 4289 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 4.48 "IC50" "Inhibition of aromatase in human placental microsomes by radiometric method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL367149" "Tclin" "Homo sapiens" +"doconexent" 4289 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 5.01 "IC50" "Inhibition of sheep COX2-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL367149" "Ovis aries" +"doconexent" 4289 "Prostaglandin G/H synthase 1" "Enzyme" "O62664" "PTGS1" "PGH1_BOVIN" 4.82 "IC50" "Inhibition of bovine COX1-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL367149" "Bos taurus" +"doconexent" 4289 "Oxoeicosanoid receptor 1" "GPCR" "Q8TDS5" "OXER1" "OXER1_HUMAN" 5.7 "IC50" "Antagonist activity at human OXE receptor fused with G-alphai assessed as inhibition of 5-oxo-ETE-induced GTPgammaS binding after 60 mins by liquid scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL367149" "Tchem" "Homo sapiens" +"doconexent" 4289 "Transient receptor potential cation channel subfamily A member 1" "Unclassified" "Q6RI86" "Trpa1" "TRPA1_RAT" 4.4 "EC50" "Patch clamp" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1051" "ACTIVATOR" "Rattus norvegicus" +"potassium iodide" 4296 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 4.1 "Ki" "Inhibition of human carbonic anhydrase 4 by Lineweaver-Burk curves" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1141" "Tclin" "Homo sapiens" +"apixaban" 4298 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 5.51 "Ki" "Inhibition of human thrombin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL231779" "Tclin" "Homo sapiens" +"apixaban" 4298 "Coagulation factor X" "Enzyme" "O19045" "F10" "FA10_RABIT" 9.77 "Ki" "Binding affinity to rabbit F10a" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL231779" "Oryctolagus cuniculus" +"apixaban" 4298 "Coagulation factor X" "Enzyme" "P00742" "F10" "FA10_HUMAN" 10.1 "Ki" "Inhibition of human factor 10a" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL231779" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL231779" "INHIBITOR" "Tclin" "Homo sapiens" +"cobicistat" 4299 "Cytochrome P450 3A" "Enzyme" "P08684|P20815|P24462|Q9HB55" "CYP3A4|CYP3A43|CYP3A5|CYP3A7" "CP343_HUMAN|CP3A4_HUMAN|CP3A5_HUMAN|CP3A7_HUMAN" 6.02733421325684 "Ki" "Inactivation of Human Hepatic Microsomal CYP3A-Dependent Midazolam 1'-Hydroxylase Activity" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/24900196" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/203094s005lbl.pdf" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"elvitegravir" 4300 "Gag-Pol polyprotein" "Polyprotein" "P03367" "gag-pol" "POL_HV1BR" 8 "IC50" "WOMBAT-PK" "=" "Human immunodeficiency virus type 1 group M subtype B (isolate BRU/LAI)" +"elvitegravir" 4300 "Integrase" "Enzyme" "Q7ZJM1" "pol" "Q7ZJM1_9HIV1" 8.14 "IC50" "Inhibition of recombinant HIV1 integrase strand transfer activity" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL204656" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL204656" "INHIBITOR" "Human immunodeficiency virus 1" +"elvitegravir" 4300 "Integrase" "Enzyme" "Q76353" "Q76353_9HIV1" 8.75 "IC50" "Inhibition of HIV1 integrase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL204656" "Human immunodeficiency virus 1" +"glycopyrronium bromide" 4302 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 9.6899995803833 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "CHEMBL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Public_assessment_report/human/002430/WC500133771.pdf" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201027" "ANTAGONIST" "Tclin" "Homo sapiens" +"glycopyrronium bromide" 4302 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 9.25 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "IUPHAR" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Public_assessment_report/human/002430/WC500133771.pdf" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7459" "ANTAGONIST" "Tclin" "Homo sapiens" +"glycopyrronium bromide" 4302 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 9.64000034332275 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "CHEMBL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Public_assessment_report/human/002430/WC500133771.pdf" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201027" "ANTAGONIST" "Tclin" "Homo sapiens" +"glycopyrronium bromide" 4302 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 9.0600004196167 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "IUPHAR" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Public_assessment_report/human/002430/WC500133771.pdf" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7459" "ANTAGONIST" "Tclin" "Homo sapiens" +"glycopyrronium bromide" 4302 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 8.90999984741211 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "IUPHAR" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Public_assessment_report/human/002430/WC500133771.pdf" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7459" "ANTAGONIST" "Tclin" "Homo sapiens" +"eslicarbazepine acetate" 4303 "Sodium channel alpha subunit" "Ion channel" "P35498|P35499|Q01118|Q14524|Q15858|Q99250|Q9NY46|Q9UI33|Q9UQD0|Q9Y5Y9" "SCN10A|SCN11A|SCN1A|SCN2A|SCN3A|SCN4A|SCN5A|SCN7A|SCN8A|SCN9A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN|SCN4A_HUMAN|SCN5A_HUMAN|SCN7A_HUMAN|SCN8A_HUMAN|SCN9A_HUMAN|SCNAA_HUMAN|SCNBA_HUMAN" "Mechanism of Action; CHEMBL2331043; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL87992" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL87992" "BLOCKER" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"dapagliflozin" 4304 "Sodium/glucose cotransporter 2" "Transporter" "P31639" "SLC5A2" "SC5A2_HUMAN" 9.3 "IC50" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4594" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4594" "INHIBITOR" "Tclin" "Homo sapiens" +"dapagliflozin" 4304 "Low affinity sodium-glucose cotransporter" "Transporter" "Q9NY91" "SLC5A4" "SC5A4_HUMAN" 8.87 "IC50" "Inhibition of human SGLT2 expressed in CHO cells using methyl-alpha-D-glucopyranoside by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL429910" "Tchem" "Homo sapiens" +"dapagliflozin" 4304 "Sodium/glucose cotransporter 1" "Transporter" "P13866" "SLC5A1" "SC5A1_HUMAN" 8.49 "IC50" "Inhibition of human SGLT2 expressed in african green monkey COS7 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 2 hrs by scintillation counting in presence of 25 % human plasma" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL429910" "Tclin" "Homo sapiens" +"dapagliflozin" 4304 "Sodium/myo-inositol cotransporter 2" "Transporter" "Q8WWX8" "SLC5A11" "SC5AB_HUMAN" 6.42 "IC50" "Inhibition of SGLT6 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside transport after 60 mins by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL429910" "Tchem" "Homo sapiens" +"dapagliflozin" 4304 "Sodium/glucose cotransporter 2" "Transporter" "P53792" "Slc5a2" "SC5A2_RAT" 8.52 "EC50" "Inhibition of rat SGLT2 expressed in CHO cells assessed as inhibition of [14C]AMG accumulation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL429910" "Rattus norvegicus" +"avanafil" 4305 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "O76074" "PDE5A" "PDE5A_HUMAN" 8.28399658203125 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1963681" "INHIBITOR" "Tclin" "Homo sapiens" +"avanafil" 4305 "Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'" "Enzyme" "P51160" "PDE6C" "PDE6C_HUMAN" 6.20065927505493 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"avanafil" 4305 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "O77746" "PDE5A" "PDE5A_CANFA" 8.28 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1963681" "Canis familiaris" +"lasofoxifene" 4308 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 8.89 "IC50" "Binding affinity for human estrogen receptor alpha" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL328190" "http://www.ncbi.nlm.nih.gov/pubmed/12825935" "AGONIST" "Tclin" "Homo sapiens" +"lasofoxifene" 4308 "Estrogen receptor" "Transcription factor" "P06211|Q62986" "Esr1|Esr2" "ESR1_RAT|ESR2_RAT" 7.95 "IC50" "Inhibition of estradiol binding to estrogen receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL328190" "Rattus norvegicus" +"lasofoxifene" 4308 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 8.74 "IC50" "Binding affinity for human estrogen receptor beta" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL328190" "http://www.ncbi.nlm.nih.gov/pubmed/12825935" "AGONIST" "Tclin" "Homo sapiens" +"lacosamide" 4310 "Dihydropyrimidinase-related protein 2" "Unclassified" "Q16555" "DPYSL2" "DPYL2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"lacosamide" 4310 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 6.48 "Ki" "Inhibition of human recombinant CA2 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL58323" "Tclin" "Homo sapiens" +"lacosamide" 4310 "Sodium channel protein type 9 subunit alpha" "Ion channel" "Q15858" "SCN9A" "SCN9A_HUMAN" 6.74 "IC50" "Binding affinity to human inactivated voltage-gated Na channel 1.7 expressed in HEK293 cells by patch-clamp technique" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL58323" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL58323" "BLOCKER" "Tclin" "Homo sapiens" +"lacosamide" 4310 "Sodium channel protein type X alpha subunit" "Unclassified" "Q62968" "Scn10a" "SCNAA_RAT" 4.8 "IC50" "Binding affinity to voltage-gated Na channel 1.8 in Sprague-Dawley rat L4/L5 DRG neurons by patch-clamp technique" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL58323" "Rattus norvegicus" +"lacosamide" 4310 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.43 "Ki" "Inhibition of human recombinant CA12 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL58323" "Tclin" "Homo sapiens" +"lacosamide" 4310 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 6.28 "Ki" "Inhibition of human recombinant CA4 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL58323" "Tclin" "Homo sapiens" +"lacosamide" 4310 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 5.92 "Ki" "Inhibition of human recombinant CA13 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL58323" "Tclin" "Homo sapiens" +"lacosamide" 4310 "Sodium channel protein type 3 subunit alpha" "Ion channel" "P08104" "Scn3a" "SCN3A_RAT" 6.38 "IC50" "Binding affinity to rat inactivated voltage-gated Na channel 1.3 expressed in human HEK293 cells by patch-clamp technique" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL58323" "Rattus norvegicus" +"lacosamide" 4310 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 6.43 "Ki" "Inhibition of human recombinant CA3 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL58323" "Tclin" "Homo sapiens" +"lacosamide" 4310 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 5.34 "Ki" "Inhibition of human recombinant CA5A by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL58323" "Tclin" "Homo sapiens" +"lacosamide" 4310 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 6.33 "Ki" "Inhibition of human recombinant CA14 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL58323" "Tclin" "Homo sapiens" +"lacosamide" 4310 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 5.35 "Ki" "Inhibition of human recombinant CA7 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL58323" "Tclin" "Homo sapiens" +"lacosamide" 4310 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 6.45 "Ki" "Inhibition of human recombinant CA9 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL58323" "Tclin" "Homo sapiens" +"lacosamide" 4310 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 6.34 "Ki" "Inhibition of mouse recombinant CA15 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL58323" "Mus musculus" +"lacosamide" 4310 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 6.44 "Ki" "Inhibition of human recombinant CA1 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL58323" "Tclin" "Homo sapiens" +"lacosamide" 4310 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 6.47 "Ki" "Inhibition of human recombinant CA5B by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL58323" "Tclin" "Homo sapiens" +"lacosamide" 4310 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 6.39 "Ki" "Inhibition of human recombinant CA6 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL58323" "Tclin" "Homo sapiens" +"lacosamide" 4310 "Sodium channel protein type 2 subunit alpha" "Ion channel" "P04775" "Scn2a" "SCN2A_RAT" 4.52 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7472" "BLOCKER" "Rattus norvegicus" +"aceclidine" 4314 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm2|Chrm3|Chrm4|Chrm5" "ACM1_RAT|ACM2_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT" 5.08 "Ki" "Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20835" "Rattus norvegicus" +"aceclidine" 4314 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 6.92 "IC50" "Binding affinity for muscarinic acetylcholine receptor M1 using [3H]oxotremorine-M (Oxo-M) radioligand in rat hippocampus membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20835" "Rattus norvegicus" +"aceclidine" 4314 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5 "EC50" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" +"aceclidine" 4314 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.7 "EC50" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" +"aceclidine" 4314 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.1 "EC50" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" +"aceclidine" 4314 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.1 "EC50" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" +"aceclidine" 4314 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 4.8 "EC50" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" +"euflavine" 4317 "ORF 73" "Unclassified" "O40947" "O40947_HHV8" 6.38 "AC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL354349" "Human herpesvirus 8" +"afatinib" 4318 "Mitogen-activated protein kinase 10" "Kinase" "P53779" "MAPK10" "MK10_HUMAN" 5.7 "Kd" "Binding constant for JNK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tchem" "Homo sapiens" +"afatinib" 4318 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 6.64 "Kd" "Binding constant for ABL1(F317L)-phosphorylated kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tclin" "Homo sapiens" +"afatinib" 4318 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 5.85 "Kd" "Binding constant for FLT3(D835Y) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tclin" "Homo sapiens" +"afatinib" 4318 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 10 "Kd" "Binding constant for EGFR(G719C) kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "INHIBITOR" "Tclin" "Homo sapiens" +"afatinib" 4318 "Mitogen-activated protein kinase 9" "Kinase" "P45984" "MAPK9" "MK09_HUMAN" 5.68 "Kd" "Binding constant for JNK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tchem" "Homo sapiens" +"afatinib" 4318 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 5.55 "Kd" "Binding constant for SRC kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tclin" "Homo sapiens" +"afatinib" 4318 "Dual specificity tyrosine-phosphorylation-regulated kinase 2" "Kinase" "Q92630" "DYRK2" "DYRK2_HUMAN" 5.74 "Kd" "Binding constant for DYRK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tchem" "Homo sapiens" +"afatinib" 4318 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 5.66 "Kd" "Binding constant for MET kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tclin" "Homo sapiens" +"afatinib" 4318 "Casein kinase I isoform epsilon" "Kinase" "P49674" "CSNK1E" "KC1E_HUMAN" 5.89 "Kd" "Binding constant for CSNK1E kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tchem" "Homo sapiens" +"afatinib" 4318 "Receptor-interacting serine/threonine-protein kinase 2" "Kinase" "O43353" "RIPK2" "RIPK2_HUMAN" 5.57 "Kd" "Binding constant for RIPK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tchem" "Homo sapiens" +"afatinib" 4318 "Ribosomal protein S6 kinase alpha-6" "Kinase" "Q9UK32" "RPS6KA6" "KS6A6_HUMAN" 5.51 "Kd" "Binding constant for RSK4(Kin.Dom.2-C-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tchem" "Homo sapiens" +"afatinib" 4318 "Cyclin-G-associated kinase" "Kinase" "O14976" "GAK" "GAK_HUMAN" 7.1 "Kd" "Binding constant for GAK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tchem" "Homo sapiens" +"afatinib" 4318 "Serine/threonine-protein kinase SBK1" "Kinase" "Q52WX2" "SBK1" "SBK1_HUMAN" 5.32 "Kd" "Binding constant for SBK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tdark" "Homo sapiens" +"afatinib" 4318 "Dual specificity mitogen-activated protein kinase kinase 5" "Kinase" "Q13163" "MAP2K5" "MP2K5_HUMAN" 5.89 "Kd" "Binding constant for MEK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tchem" "Homo sapiens" +"afatinib" 4318 "MAP kinase-interacting serine/threonine-protein kinase 1" "Kinase" "Q9BUB5" "MKNK1" "MKNK1_HUMAN" 5.74 "Kd" "Binding constant for MKNK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tchem" "Homo sapiens" +"afatinib" 4318 "Tyrosine-protein kinase FRK" "Kinase" "P42685" "FRK" "FRK_HUMAN" 5.85 "Kd" "Binding constant for FRK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tchem" "Homo sapiens" +"afatinib" 4318 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 5.37 "Kd" "Binding constant for LOK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tchem" "Homo sapiens" +"afatinib" 4318 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 8.3 "Kd" "Binding constant for ERBB2 kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "INHIBITOR" "Tclin" "Homo sapiens" +"afatinib" 4318 "Tyrosine-protein kinase HCK" "Kinase" "P08631" "HCK" "HCK_HUMAN" 5.66 "Kd" "Binding constant for HCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tclin" "Homo sapiens" +"afatinib" 4318 "Phosphorylase b kinase gamma catalytic chain, liver/testis isoform" "Kinase" "P15735" "PHKG2" "PHKG2_HUMAN" 6.33 "Kd" "Binding constant for PHKG2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tchem" "Homo sapiens" +"afatinib" 4318 "Citron Rho-interacting kinase" "Kinase" "O14578" "CIT" "CTRO_HUMAN" 5.54 "Kd" "Binding constant for CIT kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tbio" "Homo sapiens" +"afatinib" 4318 "Homeodomain-interacting protein kinase 4" "Kinase" "Q8NE63" "HIPK4" "HIPK4_HUMAN" 6.44 "Kd" "Binding constant for HIPK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tchem" "Homo sapiens" +"afatinib" 4318 "Receptor tyrosine-protein kinase erbB-4" "Kinase" "Q15303" "ERBB4" "ERBB4_HUMAN" 8.2 "Kd" "Binding constant for ERBB4 kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "INHIBITOR" "Tclin" "Homo sapiens" +"afatinib" 4318 "Serine/threonine-protein kinase 17A" "Kinase" "Q9UEE5" "STK17A" "ST17A_HUMAN" 5.64 "Kd" "Binding constant for DRAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tchem" "Homo sapiens" +"afatinib" 4318 "Ephrin type-A receptor 6" "Kinase" "Q9UF33" "EPHA6" "EPHA6_HUMAN" 6.47 "Kd" "Binding constant for EPHA6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tchem" "Homo sapiens" +"afatinib" 4318 "STE20-like serine/threonine-protein kinase" "Kinase" "Q9H2G2" "SLK" "SLK_HUMAN" 5.43 "Kd" "Binding constant for SLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tchem" "Homo sapiens" +"afatinib" 4318 "MAP kinase-interacting serine/threonine-protein kinase 2" "Kinase" "Q9HBH9" "MKNK2" "MKNK2_HUMAN" 5.8 "Kd" "Binding constant for MKNK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tchem" "Homo sapiens" +"afatinib" 4318 "Interleukin-1 receptor-associated kinase 1" "Kinase" "P51617" "IRAK1" "IRAK1_HUMAN" 6.62 "Kd" "Binding constant for IRAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tchem" "Homo sapiens" +"afatinib" 4318 "Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform" "Kinase" "Q16816" "PHKG1" "PHKG1_HUMAN" 5.89 "Kd" "Binding constant for PHKG1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tchem" "Homo sapiens" +"afatinib" 4318 "Tyrosine-protein kinase Blk" "Kinase" "P51451" "BLK" "BLK_HUMAN" 6.66 "Kd" "Binding constant for BLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tchem" "Homo sapiens" +"afatinib" 4318 "Dual specificity tyrosine-phosphorylation-regulated kinase 1B" "Kinase" "Q9Y463" "DYRK1B" "DYR1B_HUMAN" 5.55 "Kd" "Binding constant for DYRK1B kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tchem" "Homo sapiens" +"afatinib" 4318 "Receptor tyrosine-protein kinase erbB-3" "Kinase" "P21860" "ERBB3" "ERBB3_HUMAN" 5.35 "Kd" "Binding constant for ERBB3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tchem" "Homo sapiens" +"afatinib" 4318 "Ephrin type-B receptor 6" "Kinase" "O15197" "EPHB6" "EPHB6_HUMAN" 5.51 "Kd" "Binding constant for EPHB6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tchem" "Homo sapiens" +"afatinib" 4318 "Dual specificity tyrosine-phosphorylation-regulated kinase 1A" "Kinase" "Q13627" "DYRK1A" "DYR1A_HUMAN" 6.01 "Kd" "Binding constant for DYRK1A kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tchem" "Homo sapiens" +"afatinib" 4318 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 6.24 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tclin" "Homo sapiens" +"afatinib" 4318 "Tyrosine-protein kinase receptor UFO" "Kinase" "P30530" "AXL" "UFO_HUMAN" 5.28 "Kd" "Binding constant for AXL kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tchem" "Homo sapiens" +"afatinib" 4318 "Tyrosine-protein kinase TXK" "Kinase" "P42681" "TXK" "TXK_HUMAN" 5.51 "Kd" "Binding constant for TXK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tchem" "Homo sapiens" +"afatinib" 4318 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 5.89 "Kd" "Binding constant for p38-alpha kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "Tchem" "Homo sapiens" +"azilsartan medoxomil" 4322 "Type-1 angiotensin II receptor" "GPCR" "P30556" "AGTR1" "AGTR1_HUMAN" "UNKNOWN" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL57242" "ANTAGONIST" "Tclin" "Homo sapiens" +"azilsartan medoxomil" 4322 "Type-1 angiotensin II receptor" "GPCR" "P25104" "AGTR1" "AGTR1_BOVIN" 6.38 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL57242" "Bos taurus" +"sevelamer" 4324 "phosphate" "Metabolite" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021179Orig1s030lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021179Orig1s030lbl.pdf" "SEQUESTERING AGENT" +"laropiprant" 4326 "Prostaglandin D2 receptor" "GPCR" "Q13258" "PTGDR" "PD2R_HUMAN" 10.52 "Kd" "Binding affinity to human DP receptor expressed in HEK293 cells" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL426559" "http://www.ncbi.nlm.nih.gov/pubmed/17300164" "ANTAGONIST" "Tclin" "Homo sapiens" +"laropiprant" 4326 "Prostaglandin F2-alpha receptor" "GPCR" "P43088" "PTGFR" "PF2R_HUMAN" 5 "Ki" "Binding affinity to human FP receptor expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL426559" "Tclin" "Homo sapiens" +"laropiprant" 4326 "Prostacyclin receptor" "GPCR" "P43119" "PTGIR" "PI2R_HUMAN" 5.18 "Ki" "Binding affinity to human IP receptor expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL426559" "Tclin" "Homo sapiens" +"laropiprant" 4326 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "P43116" "PTGER2" "PE2R2_HUMAN" 6.87 "Ki" "Binding affinity to human EP2 receptor expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL426559" "Tclin" "Homo sapiens" +"laropiprant" 4326 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P43115" "PTGER3" "PE2R3_HUMAN" 6.05 "Ki" "Binding affinity to human EP3 receptor expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL426559" "Tclin" "Homo sapiens" +"laropiprant" 4326 "Prostaglandin D2 receptor 2" "GPCR" "Q9Y5Y4" "PTGDR2" "PD2R2_HUMAN" 6.13 "Ki" "Activity at CRTH2 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL426559" "Tchem" "Homo sapiens" +"laropiprant" 4326 "Thromboxane A2 receptor" "GPCR" "P21731" "TBXA2R" "TA2R_HUMAN" 8.53 "Ki" "Binding affinity to human TP receptor expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL426559" "Tclin" "Homo sapiens" +"laropiprant" 4326 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P34995" "PTGER1" "PE2R1_HUMAN" 5.94 "Ki" "Binding affinity to human EP1 receptor expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL426559" "Tclin" "Homo sapiens" +"pasireotide" 4329 "Somatostatin receptor type 3" "GPCR" "P32745" "SSTR3" "SSR3_HUMAN" 8.8 "IC50" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2018" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3039583" "AGONIST" "Tclin" "Homo sapiens" +"pasireotide" 4329 "Somatostatin receptor type 1" "GPCR" "P30872" "SSTR1" "SSR1_HUMAN" 8 "IC50" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2018" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3039583" "AGONIST" "Tclin" "Homo sapiens" +"pasireotide" 4329 "Somatostatin receptor type 5" "GPCR" "P35346" "SSTR5" "SSR5_HUMAN" 9.8 "IC50" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2018" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3039583" "AGONIST" "Tclin" "Homo sapiens" +"pasireotide" 4329 "Somatostatin receptor type 2" "GPCR" "P30874" "SSTR2" "SSR2_HUMAN" 9 "IC50" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2018" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3039583" "AGONIST" "Tclin" "Homo sapiens" +"pasireotide" 4329 "Somatostatin receptor type 2" "Unclassified" "P30680" "Sstr2" "SSR2_RAT" 9.07 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2018" "AGONIST" "Rattus norvegicus" +"pixantrone" 4330 "DNA" "DNA" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/002055/WC500127968.pdf" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/002055/WC500127968.pdf" "OTHER" +"sevelamer carbonate" 4331 "phosphate" "Metabolite" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/022127s011lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/022127s011lbl.pdf" "SEQUESTERING AGENT" +"bazedoxifene" 4334 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 9.22 "IC50" "Inhibition of binding to recombinant human ERalpha by scintillation proximity assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46740" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46740" "MODULATOR" "Tclin" "Homo sapiens" +"bazedoxifene" 4334 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 8.42 "IC50" "Inhibition of binding to recombinant human ERbeta by scintillation proximity assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46740" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46740" "MODULATOR" "Tclin" "Homo sapiens" +"amifampridine" 4336 "Voltage-gated potassium channel" "Ion channel" "O43525|O43526|O95259|P16389|P17658|P22001|P22459|P22460|P48547|P51787|P56696|Q03721|Q09470|Q12809|Q14003|Q14721|Q16322|Q6PIU1|Q8NCM2|Q8TAE7|Q8TDN1|Q8TDN2|Q92953|Q96KK3|Q96L42|Q96PR1|Q96RP8|Q9BQ31|Q9H252|Q9H3M0|Q9NR82|Q9NS40|Q9NSA2|Q9NZV8|Q9UIX4|Q9UJ96|Q9UK17|Q9ULD8|Q9ULS6|Q9UQ05" "KCNA1|KCNA10|KCNA2|KCNA3|KCNA4|KCNA5|KCNA6|KCNA7|KCNB1|KCNB2|KCNC1|KCNC2|KCNC3|KCNC4|KCND1|KCND2|KCND3|KCNF1|KCNG1|KCNG2|KCNG3|KCNG4|KCNH1|KCNH2|KCNH3|KCNH4|KCNH5|KCNH6|KCNH7|KCNH8|KCNQ1|KCNQ2|KCNQ3|KCNQ4|KCNQ5|KCNS1|KCNS2|KCNS3|KCNV1|KCNV2" "KCA10_HUMAN|KCNA1_HUMAN|KCNA2_HUMAN|KCNA3_HUMAN|KCNA4_HUMAN|KCNA5_HUMAN|KCNA6_HUMAN|KCNA7_HUMAN|KCNB1_HUMAN|KCNB2_HUMAN|KCNC1_HUMAN|KCNC2_HUMAN|KCNC3_HUMAN|KCNC4_HUMAN|KCND1_HUMAN|KCND2_HUMAN|KCND3_HUMAN|KCNF1_HUMAN|KCNG1_HUMAN|KCNG2_HUMAN|KCNG3_HUMAN|KCNG4_HUMAN|KCNH1_HUMAN|KCNH2_HUMAN|KCNH3_HUMAN|KCNH4_HUMAN|KCNH5_HUMAN|KCNH6_HUMAN|KCNH7_HUMAN|KCNH8_HUMAN|KCNQ1_HUMAN|KCNQ2_HUMAN|KCNQ3_HUMAN|KCNQ4_HUMAN|KCNQ5_HUMAN|KCNS1_HUMAN|KCNS2_HUMAN|KCNS3_HUMAN|KCNV1_HUMAN|KCNV2_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/22805230" "BLOCKER" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"ambrisentan" 4337 "Endothelin B receptor" "GPCR" "P24530" "EDNRB" "EDNRB_HUMAN" 6.98 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" +"ambrisentan" 4337 "Endothelin-1 receptor" "GPCR" "P25101" "EDNRA" "EDNRA_HUMAN" 9.65 "Ki" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/022081s033lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"alogliptin" 4340 "Dipeptidyl peptidase 4" "Enzyme" "P27487" "DPP4" "DPP4_HUMAN" 9 "IC50" "Inhibition of DPP4 in human plasma assessed as formation of 7-amino-4-methylcoumarin from glycyl-L-proline 4-methylcoumaryl-7-amide by fluorescence assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL227529" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL227529" "INHIBITOR" "Tclin" "Homo sapiens" +"zucapsaicin" 4342 "Transient receptor potential cation channel subfamily V member 1" "Ion channel" "Q8NER1" "TRPV1" "TRPV1_HUMAN" 7.71000003814697 "EC50" "increases in intracellular (HEK-293 cells) Ca2+ using Fluo-3 dye" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/14599363" "http://www.ncbi.nlm.nih.gov/pubmed/25171227" "OPENER" "Tclin" "Homo sapiens" +"zinc chloride" 4344 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.157990201 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"zinc chloride" 4344 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.935916564 "IC50" "DRUGMATRIX: Carbonic Anhydrase II enzyme inhibition (substrate: 4-Nitrophenyl acetate (4-NPA))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"zinc chloride" 4344 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.659873294 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"zinc chloride" 4344 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.726327538 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"zinc chloride" 4344 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.362600341 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"zinc chloride" 4344 "Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform" "Enzyme" "Q08209" "PPP3CA" "PP2BA_HUMAN" 5.958488887 "IC50" "DRUGMATRIX: Protein Serine/Threonine Phosphatase, PPP3CA (Calcineurin, PP2B) enzyme inhibition (substrate: DiFMUP)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"zinc chloride" 4344 "G-protein coupled receptor 39" "GPCR" "O43194" "GPR39" "GPR39_HUMAN" 8.4399995803833 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200679" "Tchem" "Homo sapiens" +"zinc chloride" 4344 "G protein-coupled receptor 39-1b" "Unclassified" "A6QR73" "Gpr39" "A6QR73_RAT" 5.39 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200679" "Rattus norvegicus" +"benzathine benzylpenicillin" 4347 "Beta-lactamase TEM" "Enzyme" "P62593" "bla; blaT-3; blaT-4;" "BLAT_ECOLX" 4.7 "Ki" "Inhibition constant (Ki) for TEM-1 beta-lactamase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200651" "Escherichia coli" +"benzathine benzylpenicillin" 4347 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "dacA|dacB|dacC|ftsI|mrcA|mrcB|mrdA" "DACA_ECOLI|DACB_ECOLI|DACC_ECOLI|FTSI_ECOLI|PBP2_ECOLI|PBPA_ECOLI|PBPB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200651" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200651" "INHIBITOR" "Escherichia coli (strain K12)" +"aurothioglucose" 4349 "Thioredoxin reductase 1, cytoplasmic" "Enzyme" "Q16881" "TXNRD1" "TRXR1_HUMAN" 8.398 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"aurothioglucose" 4349 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 10.5 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1189679" "Tclin" "Homo sapiens" +"bilastine" 4353 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.19381999969482 "Ki" "inhibition of [3H]-pyrilamine binding to human recombinant histamine H1-receptors" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/16274260" "http://www.ncbi.nlm.nih.gov/pubmed/16274260" "ANTAGONIST" "Tclin" "Homo sapiens" +"anidulafungin" 4357 "Beta-1,3-glucan synthase catalytic subunit 1" "Enzyme" "O13428" "GSC1" "O13428_CANAX" 7.75 "IC50" "In vitro inhibitory activity against Beta glucan synthase" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL264241" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL264241" "INHIBITOR" "Candida albicans" +"arginine glutamate" 4358 "Nitric oxide synthase, inducible" "Enzyme" "P35228" "NOS2" "NOS2_HUMAN" 5.15 "Kd" "Binding affinity to truncated iNOS construct (1-490) by spectral assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104514" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Dual specificity mitogen-activated protein kinase kinase 1" "Kinase" "Q02750" "MAP2K1" "MP2K1_HUMAN" 7.72 "Kd" "Binding constant for MEK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 6 "Kd" "Binding constant for FLT3(D835H) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 10.54 "Kd" "Binding constant for ABL1(F317L)-phosphorylated kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "INHIBITOR" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 7.74 "Kd" "Binding constant for EGFR(E746-A750del) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Protein kinase C theta type" "Kinase" "Q04759" "PRKCQ" "KPCT_HUMAN" 6.04 "Kd" "Binding constant for PRKCQ kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 9 "Kd" "Binding constant for SRC kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "INHIBITOR" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase 35" "Kinase" "Q8TDR2" "STK35" "STK35_HUMAN" 8.7 "Kd" "Binding constant for STK35 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 5.29 "Kd" "Binding constant for PDGFRA kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase RIO3" "Kinase" "O14730" "RIOK3" "RIOK3_HUMAN" 5.8 "Kd" "Binding constant for RIOK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 5.66 "Kd" "Binding constant for MET kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Casein kinase I isoform epsilon" "Kinase" "P49674" "CSNK1E" "KC1E_HUMAN" 6.96 "Kd" "Binding constant for CSNK1E kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Myosin-IIIb" "Kinase" "Q8WXR4" "MYO3B" "MYO3B_HUMAN" 5.64 "Kd" "Binding constant for MYO3B kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tdark" "Homo sapiens" +"bosutinib" 4359 "Dual specificity mitogen-activated protein kinase kinase 3" "Kinase" "P46734" "MAP2K3" "MP2K3_HUMAN" 5.59 "Kd" "Binding constant for MEK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase PAK 3" "Kinase" "O75914" "PAK3" "PAK3_HUMAN" 5.24 "Kd" "Binding constant for PAK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Cyclin-dependent kinase 15" "Kinase" "Q96Q40" "CDK15" "CDK15_HUMAN" 5.8 "Kd" "Binding constant for PFTAIRE2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tdark" "Homo sapiens" +"bosutinib" 4359 "Receptor-interacting serine/threonine-protein kinase 2" "Kinase" "O43353" "RIPK2" "RIPK2_HUMAN" 5.43 "Kd" "Binding constant for RIPK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Ephrin type-B receptor 4" "Kinase" "P54760" "EPHB4" "EPHB4_HUMAN" 8.04 "Kd" "Binding constant for EPHB4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 5.96 "Kd" "Binding constant for JAK2(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Ribosomal protein S6 kinase alpha-6" "Kinase" "Q9UK32" "RPS6KA6" "KS6A6_HUMAN" 5.57 "Kd" "Binding constant for RSK4(Kin.Dom.1-N-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase NIM1" "Kinase" "Q8IY84" "NIM1K" "NIM1_HUMAN" 5.82 "Kd" "Binding constant for NIM1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tbio" "Homo sapiens" +"bosutinib" 4359 "Cyclin-G-associated kinase" "Kinase" "O14976" "GAK" "GAK_HUMAN" 8.89 "Kd" "Binding constant for GAK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Microtubule-associated serine/threonine-protein kinase 1" "Kinase" "Q9Y2H9" "MAST1" "MAST1_HUMAN" 6.46 "Kd" "Binding constant for MAST1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Dual specificity mitogen-activated protein kinase kinase 5" "Kinase" "Q13163" "MAP2K5" "MP2K5_HUMAN" 8.09 "Kd" "Binding constant for MEK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Casein kinase I isoform delta" "Kinase" "P48730" "CSNK1D" "KC1D_HUMAN" 6.62 "Kd" "Binding constant for CSNK1D kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Tyrosine-protein kinase ITK/TSK" "Kinase" "Q08881" "ITK" "ITK_HUMAN" 5.77 "Kd" "Binding constant for ITK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Mitogen-activated protein kinase kinase kinase MLT" "Kinase" "Q9NYL2" "ZAK" "MLTK_HUMAN" 7.1 "Kd" "Binding constant for ZAK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Homeodomain-interacting protein kinase 3" "Kinase" "Q9H422" "HIPK3" "HIPK3_HUMAN" 5.49 "Kd" "Binding constant for HIPK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tbio" "Homo sapiens" +"bosutinib" 4359 "Homeodomain-interacting protein kinase 2" "Kinase" "Q9H2X6" "HIPK2" "HIPK2_HUMAN" 5.72 "Kd" "Binding constant for HIPK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Tyrosine-protein kinase SYK" "Kinase" "P43405" "SYK" "KSYK_HUMAN" 6.54 "Kd" "Binding constant for SYK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase PLK1" "Kinase" "P53350" "PLK1" "PLK1_HUMAN" 5.74 "Kd" "Binding constant for PLK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Wee1-like protein kinase" "Kinase" "P30291" "WEE1" "WEE1_HUMAN" 6.29 "Kd" "Binding constant for WEE1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Tyrosine-protein kinase BTK" "Kinase" "Q06187" "BTK" "BTK_HUMAN" 8.32 "Kd" "Binding constant for BTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "NUAK family SNF1-like kinase 1" "Kinase" "O60285" "NUAK1" "NUAK1_HUMAN" 5.23 "Kd" "Binding constant for ARK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Mitogen-activated protein kinase kinase kinase 13" "Kinase" "O43283" "MAP3K13" "M3K13_HUMAN" 6.32 "Kd" "Binding constant for LZK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tbio" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase TBK1" "Kinase" "Q9UHD2" "TBK1" "TBK1_HUMAN" 6.6 "Kd" "Binding constant for TBK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Ephrin type-A receptor 1" "Kinase" "P21709" "EPHA1" "EPHA1_HUMAN" 5.64 "Kd" "Binding constant for EPHA1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Mitogen-activated protein kinase kinase kinase kinase 1" "Kinase" "Q92918" "MAP4K1" "M4K1_HUMAN" 7.82 "Kd" "Binding constant for HPK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase Nek11" "Kinase" "Q8NG66" "NEK11" "NEK11_HUMAN" 6.19 "Kd" "Binding constant for NEK11 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tbio" "Homo sapiens" +"bosutinib" 4359 "Tyrosine-protein kinase Fgr" "Kinase" "P09769" "FGR" "FGR_HUMAN" 8.2 "Kd" "Binding constant for FGR kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase D3" "Kinase" "O94806" "PRKD3" "KPCD3_HUMAN" 5.34 "Kd" "Binding constant for PRKD3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "STE20/SPS1-related proline-alanine-rich protein kinase" "Kinase" "Q9UEW8" "STK39" "STK39_HUMAN" 5.43 "Kd" "Binding constant for STK39 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tbio" "Homo sapiens" +"bosutinib" 4359 "Mitogen-activated protein kinase kinase kinase 7" "Kinase" "O43318" "MAP3K7" "M3K7_HUMAN" 7 "Kd" "Binding constant for TAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Dual specificity protein kinase CLK2" "Kinase" "P49760" "CLK2" "CLK2_HUMAN" 5.77 "Kd" "Binding constant for CLK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Dual specificity protein kinase CLK3" "Kinase" "P49761" "CLK3" "CLK3_HUMAN" 6.52 "Kd" "Binding constant for CLK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tbio" "Homo sapiens" +"bosutinib" 4359 "Tyrosine-protein kinase Blk" "Kinase" "P16277" "Blk" "BLK_MOUSE" 8.14 "IC50" "Inhibition of mouse BLK" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Mus musculus" +"bosutinib" 4359 "G protein-coupled receptor kinase 7" "Kinase" "Q8WTQ7" "GRK7" "GRK7_HUMAN" 5.77 "Kd" "Binding constant for GRK7 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Tyrosine-protein kinase FRK" "Kinase" "P42685" "FRK" "FRK_HUMAN" 8.85 "Kd" "Binding constant for FRK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Homeodomain-interacting protein kinase 1" "Kinase" "Q86Z02" "HIPK1" "HIPK1_HUMAN" 6.28 "Kd" "Binding constant for HIPK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tbio" "Homo sapiens" +"bosutinib" 4359 "Dual specificity protein kinase CLK1" "Kinase" "P49759" "CLK1" "CLK1_HUMAN" 6.22 "Kd" "Binding constant for CLK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Ephrin type-A receptor 8" "Kinase" "P29322" "EPHA8" "EPHA8_HUMAN" 8.05 "Kd" "Binding constant for EPHA8 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Ephrin type-A receptor 2" "Kinase" "P29317" "EPHA2" "EPHA2_HUMAN" 7.74 "Kd" "Binding constant for EPHA2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Ephrin type-A receptor 3" "Kinase" "P29320" "EPHA3" "EPHA3_HUMAN" 8.24 "Kd" "Binding constant for EPHA3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase tousled-like 2" "Kinase" "Q86UE8" "TLK2" "TLK2_HUMAN" 5.68 "Kd" "Binding constant for TLK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 8.15 "Kd" "Binding constant for LOK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Tyrosine-protein kinase Fer" "Kinase" "P16591" "FER" "FER_HUMAN" 6.44 "Kd" "Binding constant for FER kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Calcium/calmodulin-dependent protein kinase type II subunit gamma" "Kinase" "Q13555" "CAMK2G" "KCC2G_HUMAN" 5.44 "Kd" "Binding constant for CAMK2G kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "AP2-associated protein kinase 1" "Kinase" "Q2M2I8" "AAK1" "AAK1_HUMAN" 5.64 "Kd" "Binding constant for AAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Protein kinase C epsilon type" "Kinase" "Q02156" "PRKCE" "KPCE_HUMAN" 5.62 "Kd" "Binding constant for PRKCE kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 5.92 "Kd" "Binding constant for JAK3(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Tyrosine-protein kinase Yes" "Kinase" "P07947" "YES1" "YES_HUMAN" 8.4 "Kd" "Binding constant for YES kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase N2" "Kinase" "Q16513" "PKN2" "PKN2_HUMAN" 5.49 "Kd" "Binding constant for PKN2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Tyrosine-protein kinase CSK" "Kinase" "P41240" "CSK" "CSK_HUMAN" 7.49 "Kd" "Binding constant for CSK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase TAO1" "Kinase" "Q7L7X3" "TAOK1" "TAOK1_HUMAN" 5.89 "Kd" "Binding constant for TAOK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tbio" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase TNNI3K" "Kinase" "Q59H18" "TNNI3K" "TNI3K_HUMAN" 6.77 "Kd" "Binding constant for TNNI3K kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.6 "Kd" "Binding constant for ERBB2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Tyrosine-protein kinase HCK" "Kinase" "P08631" "HCK" "HCK_HUMAN" 8.47 "Kd" "Binding constant for HCK kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "INHIBITOR" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Phosphorylase b kinase gamma catalytic chain, liver/testis isoform" "Kinase" "P15735" "PHKG2" "PHKG2_HUMAN" 5.89 "Kd" "Binding constant for PHKG2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "High affinity nerve growth factor receptor" "Kinase" "P04629" "NTRK1" "NTRK1_HUMAN" 5.51 "Kd" "Binding constant for TRKA kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 6.7 "Kd" "Binding constant for PDGFRB kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Rho-associated protein kinase 1" "Kinase" "Q13464" "ROCK1" "ROCK1_HUMAN" 6.06 "Kd" "Binding constant for ROCK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Citron Rho-interacting kinase" "Kinase" "O14578" "CIT" "CTRO_HUMAN" 5.62 "Kd" "Binding constant for CIT kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tbio" "Homo sapiens" +"bosutinib" 4359 "Ribosomal protein S6 kinase alpha-3" "Kinase" "P51812" "RPS6KA3" "KS6A3_HUMAN" 5.92 "Kd" "Binding constant for RSK2(Kin.Dom.1-N-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Myosin-IIIa" "Kinase" "Q8NEV4" "MYO3A" "MYO3A_HUMAN" 5.21 "Kd" "Binding constant for MYO3A kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tbio" "Homo sapiens" +"bosutinib" 4359 "Ankyrin repeat and protein kinase domain-containing protein 1" "Kinase" "Q8NFD2" "ANKK1" "ANKK1_HUMAN" 5.68 "Kd" "Binding constant for ANKK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tbio" "Homo sapiens" +"bosutinib" 4359 "Homeodomain-interacting protein kinase 4" "Kinase" "Q8NE63" "HIPK4" "HIPK4_HUMAN" 6.89 "Kd" "Binding constant for HIPK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase 25" "Kinase" "O00506" "STK25" "STK25_HUMAN" 6.05 "Kd" "Binding constant for YSK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tbio" "Homo sapiens" +"bosutinib" 4359 "Myosin light chain kinase, smooth muscle" "Kinase" "Q15746" "MYLK" "MYLK_HUMAN" 6.31 "Kd" "Binding constant for MYLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Mitogen-activated protein kinase kinase kinase 4" "Kinase" "Q9Y6R4" "MAP3K4" "M3K4_HUMAN" 6.96 "Kd" "Binding constant for MAP3K4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tbio" "Homo sapiens" +"bosutinib" 4359 "Mitogen-activated protein kinase kinase kinase kinase 5" "Kinase" "Q9Y4K4" "MAP4K5" "M4K5_HUMAN" 9.3 "Kd" "Binding constant for MAP4K5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Misshapen-like kinase 1" "Kinase" "Q8N4C8" "MINK1" "MINK1_HUMAN" 8.49 "Kd" "Binding constant for MINK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Casein kinase I isoform alpha-like" "Kinase" "Q8N752" "CSNK1A1L" "KC1AL_HUMAN" 5.59 "Kd" "Binding constant for CSNK1A1L kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tdark" "Homo sapiens" +"bosutinib" 4359 "Leucine-rich repeat serine/threonine-protein kinase 2" "Kinase" "Q5S007" "LRRK2" "LRRK2_HUMAN" 6.3 "Kd" "Binding constant for LRRK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase 36" "Kinase" "Q9NRP7" "STK36" "STK36_HUMAN" 6.24 "Kd" "Binding constant for STK36 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tbio" "Homo sapiens" +"bosutinib" 4359 "Interleukin-1 receptor-associated kinase 4" "Kinase" "Q9NWZ3" "IRAK4" "IRAK4_HUMAN" 6.44 "Kd" "Binding constant for IRAK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 7.14 "Kd" "Binding constant for KIT(D816V) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "BMP-2-inducible protein kinase" "Kinase" "Q9NSY1" "BMP2K" "BMP2K_HUMAN" 6.46 "Kd" "Binding constant for BIKE kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Receptor tyrosine-protein kinase erbB-4" "Kinase" "Q15303" "ERBB4" "ERBB4_HUMAN" 7.59 "Kd" "Binding constant for ERBB4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Mitogen-activated protein kinase kinase kinase 11" "Kinase" "Q16584" "MAP3K11" "M3K11_HUMAN" 5.57 "Kd" "Binding constant for MLK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Ephrin type-A receptor 6" "Kinase" "Q9UF33" "EPHA6" "EPHA6_HUMAN" 5.96 "Kd" "Binding constant for EPHA6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "TRAF2 and NCK-interacting protein kinase" "Kinase" "Q9UKE5" "TNIK" "TNIK_HUMAN" 7.51 "Kd" "Binding constant for TNIK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Megakaryocyte-associated tyrosine-protein kinase" "Kinase" "P42679" "MATK" "MATK_HUMAN" 5.24 "Kd" "Binding constant for CTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tbio" "Homo sapiens" +"bosutinib" 4359 "Calcium/calmodulin-dependent protein kinase kinase 2" "Kinase" "Q96RR4" "CAMKK2" "KKCC2_HUMAN" 6.11 "Kd" "Binding constant for CAMKK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase" "Kinase" "Q99640" "PKMYT1" "PMYT1_HUMAN" 6.46 "Kd" "Binding constant for PKMYT1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "STE20-like serine/threonine-protein kinase" "Kinase" "Q9H2G2" "SLK" "SLK_HUMAN" 8.33 "Kd" "Binding constant for SLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Dual specificity protein kinase CLK4" "Kinase" "Q9HAZ1" "CLK4" "CLK4_HUMAN" 5.49 "Kd" "Binding constant for CLK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Macrophage-stimulating protein receptor" "Kinase" "Q04912" "MST1R" "RON_HUMAN" 5.2 "Kd" "Binding constant for MST1R kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Non-receptor tyrosine-protein kinase TYK2" "Kinase" "P29597" "TYK2" "TYK2_HUMAN" 5.35 "Kd" "Binding constant for TYK2(JH2domain-pseudokinase) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase PAK 1" "Kinase" "Q13153" "PAK1" "PAK1_HUMAN" 5.64 "Kd" "Binding constant for PAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Interleukin-1 receptor-associated kinase 1" "Kinase" "P51617" "IRAK1" "IRAK1_HUMAN" 6.22 "Kd" "Binding constant for IRAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase 4" "Kinase" "Q13043" "STK4" "STK4_HUMAN" 6.72 "Kd" "Binding constant for MST1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase 3" "Kinase" "Q13188" "STK3" "STK3_HUMAN" 6.43 "Kd" "Binding constant for MST2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Calcium/calmodulin-dependent protein kinase type 1D" "Kinase" "Q8IU85" "CAMK1D" "KCC1D_HUMAN" 6.26 "Kd" "Binding constant for CAMK1D kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase TAO2" "Kinase" "Q9UL54" "TAOK2" "TAOK2_HUMAN" 5.72 "Kd" "Binding constant for TAOK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tbio" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase Nek2" "Kinase" "P51955" "NEK2" "NEK2_HUMAN" 5.8 "Kd" "Binding constant for NEK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "5'-AMP-activated protein kinase catalytic subunit alpha-1" "Kinase" "Q13131" "PRKAA1" "AAPK1_HUMAN" 5.41 "Kd" "Binding constant for AMPK-alpha1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 8.38 "Kd" "Binding constant for LYN kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "INHIBITOR" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Ribosomal protein S6 kinase alpha-2" "Kinase" "Q15349" "RPS6KA2" "KS6A2_HUMAN" 5.49 "Kd" "Binding constant for RSK3(Kin.Dom.1-N-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Cytoplasmic tyrosine-protein kinase BMX" "Kinase" "P51813" "BMX" "BMX_HUMAN" 6.7 "Kd" "Binding constant for BMX kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Ephrin type-A receptor 5" "Kinase" "P54756" "EPHA5" "EPHA5_HUMAN" 7.57 "Kd" "Binding constant for EPHA5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase ULK2" "Kinase" "Q8IYT8" "ULK2" "ULK2_HUMAN" 6.35 "Kd" "Binding constant for ULK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Ephrin type-A receptor 4" "Kinase" "P54764" "EPHA4" "EPHA4_HUMAN" 7.74 "Kd" "Binding constant for EPHA4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)" "Kinase" "P06748|Q9UM73" "ALK|NPM1" "ALK_HUMAN|NPM_HUMAN" 6.82 "IC50" "Inhibition of NPM/ALK L256T mutant kinase activity in BaF3 cells by radioenzymatic assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tbio|Tclin" "Homo sapiens" +"bosutinib" 4359 "Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform" "Kinase" "Q16816" "PHKG1" "PHKG1_HUMAN" 6.47 "Kd" "Binding constant for PHKG1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Ephrin type-B receptor 1" "Kinase" "P54762" "EPHB1" "EPHB1_HUMAN" 7.48 "Kd" "Binding constant for EPHB1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Activated CDC42 kinase 1" "Kinase" "Q07912" "TNK2" "ACK1_HUMAN" 7.54 "Kd" "Binding constant for TNK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Cyclin-dependent kinase 16" "Kinase" "Q00536" "CDK16" "CDK16_HUMAN" 5.62 "Kd" "Binding constant for PCTK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Mitogen-activated protein kinase kinase kinase kinase 3" "Kinase" "Q8IVH8" "MAP4K3" "M4K3_HUMAN" 8.29 "Kd" "Binding constant for MAP4K3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Focal adhesion kinase 1" "Kinase" "Q05397" "PTK2" "FAK1_HUMAN" 6.24 "Kd" "Binding constant for FAK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "NT-3 growth factor receptor" "Kinase" "Q16288" "NTRK3" "NTRK3_HUMAN" 5.47 "Kd" "Binding constant for TRKC kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Tyrosine-protein kinase ZAP-70" "Kinase" "P43403" "ZAP70" "ZAP70_HUMAN" 5.8 "Kd" "Binding constant for ZAP70 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Calcium/calmodulin-dependent protein kinase type II subunit alpha" "Kinase" "Q9UQM7" "CAMK2A" "KCC2A_HUMAN" 5.35 "Kd" "Binding constant for CAMK2A kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "G protein-coupled receptor kinase 4" "Kinase" "P32298" "GRK4" "GRK4_HUMAN" 5.31 "Kd" "Binding constant for GRK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Mitogen-activated protein kinase kinase kinase 2" "Kinase" "Q9Y2U5" "MAP3K2" "M3K2_HUMAN" 7.52 "Kd" "Binding constant for MAP3K2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase ULK3" "Kinase" "Q6PHR2" "ULK3" "ULK3_HUMAN" 6.34 "Kd" "Binding constant for ULK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Abelson tyrosine-protein kinase 2" "Kinase" "P42684" "ABL2" "ABL2_HUMAN" 8.82 "Kd" "Binding constant for ABL2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Eukaryotic translation initiation factor 2-alpha kinase 1" "Kinase" "Q9BQI3" "EIF2AK1" "E2AK1_HUMAN" 6.2 "Kd" "Binding constant for EIF2AK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase 26" "Kinase" "Q9P289" "STK26" "STK26_HUMAN" 7.43 "Kd" "Binding constant for MST4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tbio" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase PLK2" "Kinase" "Q9NYY3" "PLK2" "PLK2_HUMAN" 6.02 "Kd" "Binding constant for PLK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Bone morphogenetic protein receptor type-2" "Kinase" "Q13873" "BMPR2" "BMPR2_HUMAN" 6.24 "Kd" "Binding constant for BMPR2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Protein-tyrosine kinase 2-beta" "Kinase" "Q14289" "PTK2B" "FAK2_HUMAN" 6.41 "Kd" "Binding constant for PYK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Tyrosine-protein kinase Blk" "Kinase" "P51451" "BLK" "BLK_HUMAN" 8.48 "Kd" "Binding constant for BLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 5.41 "Kd" "Binding constant for TIE2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Inhibitor of nuclear factor kappa-B kinase subunit epsilon" "Kinase" "Q14164" "IKBKE" "IKKE_HUMAN" 7.28 "Kd" "Binding constant for IKK-epsilon kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Dual specificity mitogen-activated protein kinase kinase 7" "Kinase" "O14733" "MAP2K7" "MP2K7_HUMAN" 5.28 "Kd" "Binding constant for MKK7 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tbio" "Homo sapiens" +"bosutinib" 4359 "Peripheral plasma membrane protein CASK" "Kinase" "O14936" "CASK" "CSKP_HUMAN" 6.08 "Kd" "Binding constant for CASK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tbio" "Homo sapiens" +"bosutinib" 4359 "Dual serine/threonine and tyrosine protein kinase" "Kinase" "Q6XUX3" "DSTYK" "DUSTY_HUMAN" 6.42 "Kd" "Binding constant for RIPK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tbio" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase PknB" "Kinase" "P9WI81" "pknB" "PKNB_MYCTU" 5.26 "Kd" "Binding constant for PKNB(M.tuberculosis) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"bosutinib" 4359 "Receptor tyrosine-protein kinase erbB-3" "Kinase" "P21860" "ERBB3" "ERBB3_HUMAN" 9.11 "Kd" "Binding constant for ERBB3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Ephrin type-B receptor 6" "Kinase" "O15197" "EPHB6" "EPHB6_HUMAN" 5.52 "Kd" "Binding constant for EPHB6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase SIK2" "Kinase" "Q9H0K1" "SIK2" "SIK2_HUMAN" 7.54 "Kd" "Binding constant for SIK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase TAO3" "Kinase" "Q9H2K8" "TAOK3" "TAOK3_HUMAN" 6.47 "Kd" "Binding constant for TAOK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tbio" "Homo sapiens" +"bosutinib" 4359 "Tyrosine-protein kinase Srms" "Kinase" "Q9H3Y6" "SRMS" "SRMS_HUMAN" 7 "Kd" "Binding constant for SRMS kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Casein kinase I isoform alpha" "Kinase" "P48729" "CSNK1A1" "KC1A_HUMAN" 6.55 "Kd" "Binding constant for CSNK1A1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Mitogen-activated protein kinase kinase kinase 1" "Kinase" "Q13233" "MAP3K1" "M3K1_HUMAN" 5.36 "Kd" "Binding constant for MAP3K1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tbio" "Homo sapiens" +"bosutinib" 4359 "Cyclin-dependent kinase 7" "Kinase" "P50613" "CDK7" "CDK7_HUMAN" 5.92 "Kd" "Binding constant for CDK7 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase 32A" "Kinase" "Q8WU08" "STK32A" "ST32A_HUMAN" 5.74 "Kd" "Binding constant for YANK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tdark" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase SIK3" "Kinase" "Q9Y2K2" "SIK3" "SIK3_HUMAN" 7.19 "Kd" "Binding constant for QSK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Rho-associated protein kinase 2" "Kinase" "O75116" "ROCK2" "ROCK2_HUMAN" 6.44 "Kd" "Binding constant for ROCK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase 24" "Kinase" "Q9Y6E0" "STK24" "STK24_HUMAN" 6.42 "Kd" "Binding constant for MST3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 7.96 "Kd" "Binding constant for FYN kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Tyrosine-protein kinase ABL" "Kinase" "P00519|P42684" "ABL1|ABL2" "ABL1_HUMAN|ABL2_HUMAN" 8.96 "IC50" "Inhibition of Abl kinase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem|Tclin" "Homo sapiens" +"bosutinib" 4359 "Wee1-like protein kinase 2" "Kinase" "P0C1S8" "WEE2" "WEE2_HUMAN" 7.03 "Kd" "Binding constant for WEE2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tbio" "Homo sapiens" +"bosutinib" 4359 "Macrophage colony-stimulating factor 1 receptor" "Kinase" "P07333" "CSF1R" "CSF1R_HUMAN" 6.42 "Kd" "Binding constant for CSF1R kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Hormonally up-regulated neu tumor-associated kinase" "Kinase" "P57058" "HUNK" "HUNK_HUMAN" 5.3 "Kd" "Binding constant for HUNK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tbio" "Homo sapiens" +"bosutinib" 4359 "Discoidin domain-containing receptor 2" "Kinase" "Q16832" "DDR2" "DDR2_HUMAN" 6.85 "Kd" "Binding constant for DDR2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Protein kinase C delta type" "Kinase" "Q05655" "PRKCD" "KPCD_HUMAN" 5.8 "Kd" "Binding constant for PRKCD kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Tyrosine-protein kinase receptor Tie-1" "Kinase" "P35590" "TIE1" "TIE1_HUMAN" 5.54 "Kd" "Binding constant for TIE1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase DCLK3" "Kinase" "Q9C098" "DCLK3" "DCLK3_HUMAN" 5.27 "Kd" "Binding constant for DCAMKL3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Cyclin-dependent kinase 14" "Kinase" "O94921" "CDK14" "CDK14_HUMAN" 5.85 "Kd" "Binding constant for PFTK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Eukaryotic translation initiation factor 2-alpha kinase 4" "Kinase" "Q9P2K8" "EIF2AK4" "E2AK4_HUMAN" 6.57 "Kd" "Binding constant for GCN2(Kin.Dom.2,S808G) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 5.42 "Kd" "Binding constant for RET(M918T) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Myotonin-protein kinase" "Kinase" "Q09013" "DMPK" "DMPK_HUMAN" 7.04 "Kd" "Binding constant for DMPK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Epithelial discoidin domain-containing receptor 1" "Kinase" "Q08345" "DDR1" "DDR1_HUMAN" 6.92 "Kd" "Binding constant for DDR1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Mitogen-activated protein kinase kinase kinase kinase 4" "Kinase" "O95819" "MAP4K4" "M4K4_HUMAN" 8.09 "Kd" "Binding constant for MAP4K4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase PAK 2" "Kinase" "Q13177" "PAK2" "PAK2_HUMAN" 5.72 "Kd" "Binding constant for PAK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Tyrosine-protein kinase receptor TYRO3" "Kinase" "Q06418" "TYRO3" "TYRO3_HUMAN" 7.21 "Kd" "Binding constant for TYRO3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Tyrosine-protein kinase Fes/Fps" "Kinase" "P07332" "FES" "FES_HUMAN" 6.48 "Kd" "Binding constant for FES kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 9.23 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Mitogen-activated protein kinase kinase kinase 9" "Kinase" "P80192" "MAP3K9" "M3K9_HUMAN" 5.57 "Kd" "Binding constant for MLK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Leukocyte tyrosine kinase receptor" "Kinase" "P29376" "LTK" "LTK_HUMAN" 5.52 "Kd" "Binding constant for LTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Mitogen-activated protein kinase kinase kinase 19" "Kinase" "Q56UN5" "MAP3K19" "M3K19_HUMAN" 7.8 "Kd" "Binding constant for YSK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Tyrosine-protein kinase receptor UFO" "Kinase" "P30530" "AXL" "UFO_HUMAN" 7.28 "Kd" "Binding constant for AXL kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "BDNF/NT-3 growth factors receptor" "Kinase" "Q16620" "NTRK2" "NTRK2_HUMAN" 5.92 "Kd" "Binding constant for TRKB kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "NUAK family SNF1-like kinase 2" "Kinase" "Q9H093" "NUAK2" "NUAK2_HUMAN" 6.66 "Kd" "Binding constant for SNARK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Ephrin type-B receptor 2" "Kinase" "P29323" "EPHB2" "EPHB2_HUMAN" 8.08 "Kd" "Binding constant for EPHB2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Dual specificity mitogen-activated protein kinase kinase 2" "Kinase" "P36507" "MAP2K2" "MP2K2_HUMAN" 8 "Kd" "Binding constant for MEK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Dual specificity mitogen-activated protein kinase kinase 4" "Kinase" "P45985" "MAP2K4" "MP2K4_HUMAN" 5.59 "Kd" "Binding constant for MEK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase tousled-like 1" "Kinase" "Q9UKI8" "TLK1" "TLK1_HUMAN" 6.24 "Kd" "Binding constant for TLK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "SRSF protein kinase 3" "Kinase" "Q9UPE1" "SRPK3" "SRPK3_HUMAN" 5.41 "Kd" "Binding constant for SRPK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Tyrosine-protein kinase TXK" "Kinase" "P42681" "TXK" "TXK_HUMAN" 7.14 "Kd" "Binding constant for TXK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase VRK2" "Kinase" "Q86Y07" "VRK2" "VRK2_HUMAN" 6.15 "Kd" "Binding constant for VRK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tbio" "Homo sapiens" +"bosutinib" 4359 "Dual specificity mitogen-activated protein kinase kinase 6" "Kinase" "P52564" "MAP2K6" "MP2K6_HUMAN" 5.89 "Kd" "Binding constant for MEK6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "ALK tyrosine kinase receptor" "Kinase" "Q9UM73" "ALK" "ALK_HUMAN" 6.16 "Kd" "Binding constant for ALK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin" "Homo sapiens" +"bosutinib" 4359 "Ephrin type-B receptor 3" "Kinase" "P54753" "EPHB3" "EPHB3_HUMAN" 6.68 "Kd" "Binding constant for EPHB3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Mitogen-activated protein kinase kinase kinase 12" "Kinase" "Q12852" "MAP3K12" "M3K12_HUMAN" 6.17 "Kd" "Binding constant for DLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Tyrosine-protein kinase Tec" "Kinase" "P42680" "TEC" "TEC_HUMAN" 5.49 "Kd" "Binding constant for TEC kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Phosphatidylinositol 4-phosphate 5-kinase type-1 alpha" "Kinase" "Q99755" "PIP5K1A" "PI51A_HUMAN" 5.48 "Kd" "Binding constant for PIP5K1A kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tbio" "Homo sapiens" +"bosutinib" 4359 "Mitogen-activated protein kinase kinase kinase 3" "Kinase" "Q99759" "MAP3K3" "M3K3_HUMAN" 7.27 "Kd" "Binding constant for MAP3K3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Bcr/Abl fusion protein" "Kinase" "P00519|P11274" "ABL1|BCR" "ABL1_HUMAN|BCR_HUMAN" 7.7 "IC50" "Inhibition of Bcr-Abl fusion protein" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tclin|Tclin" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase RIO1" "Kinase" "Q9BRS2" "RIOK1" "RIOK1_HUMAN" 5.66 "Kd" "Binding constant for RIOK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Ribosomal protein S6 kinase beta-1" "Kinase" "P23443" "RPS6KB1" "KS6B1_HUMAN" 6.18 "Kd" "Binding constant for S6K1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase ULK1" "Kinase" "O75385" "ULK1" "ULK1_HUMAN" 5.92 "Kd" "Binding constant for ULK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase 33" "Kinase" "Q9BYT3" "STK33" "STK33_HUMAN" 7.43 "Kd" "Binding constant for STK33 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase Chk2" "Kinase" "O96017" "CHEK2" "CHK2_HUMAN" 6.92 "Kd" "Binding constant for CHEK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Testis-specific serine/threonine-protein kinase 1" "Kinase" "Q9BXA7" "TSSK1B" "TSSK1_HUMAN" 5.34 "Kd" "Binding constant for TSSK1B kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase NLK" "Kinase" "Q9UBE8" "NLK" "NLK_HUMAN" 5.66 "Kd" "Binding constant for NLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase Chk1" "Kinase" "O14757" "CHEK1" "CHK1_HUMAN" 5.52 "Kd" "Binding constant for CHEK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase N1" "Kinase" "Q16512" "PKN1" "PKN1_HUMAN" 5.54 "Kd" "Binding constant for PKN1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Serine/threonine-protein kinase SIK1" "Kinase" "P57059" "SIK1" "SIK1_HUMAN" 7.52 "Kd" "Binding constant for SIK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Mitogen-activated protein kinase kinase kinase kinase 2" "Kinase" "Q12851" "MAP4K2" "M4K2_HUMAN" 8.51 "Kd" "Binding constant for MAP4K2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Tyrosine-protein kinase Mer" "Kinase" "Q12866" "MERTK" "MERTK_HUMAN" 6.96 "Kd" "Binding constant for MERTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tchem" "Homo sapiens" +"bosutinib" 4359 "Mitogen-activated protein kinase 7" "Kinase" "Q13164" "MAPK7" "MK07_HUMAN" 5.64 "Kd" "Binding constant for ERK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "Tbio" "Homo sapiens" +"cetrimide" 4360 "Dynamin-1" "Structural" "Q05193" "DNM1" "DYN1_HUMAN" 5.24 "IC50" "Concentration required against dynamin-1 GTPase activity of sheep brain." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL113150" "Tbio" "Homo sapiens" +"chenodiol" 4361 "fMet-Leu-Phe receptor" "GPCR" "P21462" "FPR1" "FPR1_HUMAN" 4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=608" "ANTAGONIST" "Tchem" "Homo sapiens" +"chenodiol" 4361 "G-protein coupled bile acid receptor 1" "GPCR" "Q8TDU6" "GPBAR1" "GPBAR_HUMAN" 5.4 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=608" "AGONIST" "Tchem" "Homo sapiens" +"chenodiol" 4361 "Bile acid receptor" "Nuclear hormone receptor" "Q96RI1" "NR1H4" "NR1H4_HUMAN" 5.47 "EC50" "Ligand dependent recruitment of SRC1(676-700) peptide to human Farnesoid X-activated receptor by fluorescence resonance energy transfer assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL240597" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL240597" "AGONIST" "Tclin" "Homo sapiens" +"chiniofon" 4362 "Catechol O-methyltransferase" "Enzyme" "P22734" "Comt" "COMT_RAT" 5.15 "IC50" "Inhibition of Sprague-Dawley rat liver COMT after 10 mins using 0.05 uCi [14CH3]-SAM as substrate" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1788402" "Rattus norvegicus" +"vernakalant" 4365 "Potassium voltage-gated channel subfamily A member 5" "Ion channel" "P22460" "KCNA5" "KCNA5_HUMAN" 4.87451887130737 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/17872968" "http://www.ncbi.nlm.nih.gov/pubmed/17872968" "BLOCKER" "Tclin" "Homo sapiens" +"sodium benzoate" 4373 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 4.52 "Ki" "Binding affinity against human cytosolic Carbonic anhydrase II" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1356" "Tclin" "Homo sapiens" +"sodium benzoate" 4373 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 4.13 "Ki" "Binding affinity against human cytosolic Carbonic anhydrase IV" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1356" "Tclin" "Homo sapiens" +"sodium benzoate" 4373 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 4.61 "Ki" "Inhibition of Candida albicans Nce103" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1356" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"sodium benzoate" 4373 "glycine" "Amino acid" "alternatives to urea for the excretion of waste nitrogen" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2011/020645s008lbl.pdf" "OTHER" +"lorcaserin" 4374 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.88605642318726 "Ki" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208524s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208524s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"lorcaserin" 4374 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.83268260955811 "Ki" "DRUG LABEL" "=" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208524s000lbl.pdf" "Tclin" "Homo sapiens" +"lorcaserin" 4374 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.03621196746826 "Ki" "DRUG LABEL" "=" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208524s000lbl.pdf" "Tclin" "Homo sapiens" +"lorcaserin" 4374 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.58 "Ki" "Displacement of [3H]citalopram from SERT" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL360328" "Tclin" "Homo sapiens" +"dequalinium" 4376 "Small conductance calcium-activated potassium channel protein 1" "Ion channel" "Q92952" "KCNN1" "KCNN1_HUMAN" 6.4 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2313" "BLOCKER" "Tchem" "Homo sapiens" +"dequalinium" 4376 "Small conductance calcium-activated potassium channel protein 3" "Ion channel" "P70605" "Kcnn3" "KCNN3_RAT" 6.85 "Ki" "Displacement of [I125]apamine from Wistar rat recombinant SK3 channel expressed in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL121663" "Rattus norvegicus" +"dequalinium" 4376 "Small conductance calcium-activated potassium channel protein 3" "Ion channel" "Q9UGI6" "KCNN3" "KCNN3_HUMAN" 5.89 "IC50" "Inhibition of Kca2.3 channel expressed in HEK293 cells by thallium flux assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL121663" "Tchem" "Homo sapiens" +"dequalinium" 4376 "Protein kinase C alpha type" "Kinase" "P17252" "PRKCA" "KPCA_HUMAN" 4.96 "IC50" "Inhibition of human recombinant PKCalpha" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL121663" "Tchem" "Homo sapiens" +"dequalinium" 4376 "cGMP-gated cation channel alpha-1" "Unclassified" "P29973" "CNGA1" "CNGA1_HUMAN" 6.7 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2313" "BLOCKER" "Homo sapiens" +"dequalinium" 4376 "Cyclic nucleotide-gated olfactory channel" "Unclassified" "Q16280" "CNGA2" "CNGA2_HUMAN" 5.6 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2313" "BLOCKER" "Homo sapiens" +"dequalinium" 4376 "Small conductance calcium-activated potassium channel protein 2" "Unclassified" "P70604" "Kcnn2" "KCNN2_RAT" 6.8 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2313" "BLOCKER" "Rattus norvegicus" +"degarelix" 4379 "Gonadotropin-releasing hormone receptor" "GPCR" "P30968" "GNRHR" "GNRHR_HUMAN" 8.77 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=5585" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL415606" "ANTAGONIST" "Tclin" "Homo sapiens" +"desvenlafaxine" 4380 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.2747 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1118" "INHIBITOR" "Tclin" "Homo sapiens" +"desvenlafaxine" 4380 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.3251 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1118" "INHIBITOR" "Tclin" "Homo sapiens" +"desvenlafaxine" 4380 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.22 "IC50" "Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1118" "Rattus norvegicus" +"dapoxetine" 4381 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 8.95 "IC50" "Inhibition of the reuptake of [3H]5-HT" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7901" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7901" "INHIBITOR" "Tclin" "Homo sapiens" +"mirabegron" 4382 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 7.64975214004517 "EC50" "cAMP accumulation in CHO cells expressing human beta-3 adrenergic receptor" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/17293563" "http://www.ncbi.nlm.nih.gov/pubmed/17293563" "AGONIST" "Tclin" "Homo sapiens" +"choline theophyllinate" 4390 "Adenosine A2a receptor" "Unclassified" "P46616" "ADORA2A" "AA2AR_CAVPO" 4.89 "Ki" "Antagonist binding of N6-cyclohexyl-[3H]-adenosine to guinea pig brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200434" "Cavia porcellus" +"choline theophyllinate" 4390 "Phosphodiesterase 4" "Enzyme" "P27815|Q07343|Q08493|Q08499" "PDE4A|PDE4B|PDE4C|PDE4D" "PDE4A_HUMAN|PDE4B_HUMAN|PDE4C_HUMAN|PDE4D_HUMAN" 4.25 "Ki" "Inhibition of c-AMP phosphodiesterase activity in guinea pig tracheal muscle" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200434" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200434" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"choline theophyllinate" 4390 "Adenosine A2 receptor" "GPCR" "P29276|P30543" "Adora2a|Adora2b" "AA2AR_RAT|AA2BR_RAT" 5.88 "Ki" "Binding of Adenosine A2 receptor in whole rat brain membrane using [3H]CHA as a Radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200434" "Rattus norvegicus" +"choline theophyllinate" 4390 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 9.22 "Ki" "Binding affinity for adenosine A1 receptor by using as [3H]CPX iradioligand n membranes from Chinese hamster ovary cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200434" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200434" "ANTAGONIST" "Tclin" "Homo sapiens" +"choline theophyllinate" 4390 "Uncharacterized protein" "Enzyme" "E1BN64" "PDE3B" "E1BN64_BOVIN" 4.11 "Ki" "Inhibition of bovine heart phosphodiesterase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200434" "Bos taurus" +"choline theophyllinate" 4390 "Adenosine receptor A1" "GPCR" "P47745" "ADORA1" "AA1R_CAVPO" 5.01 "Ki" "Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]CPX." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200434" "Cavia porcellus" +"choline theophyllinate" 4390 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 9.22 "Ki" "Binding affinity for adenosine A2a receptor by using as [3H]ZM-241385 radioligand in membranes from HEK-A2A cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200434" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200434" "ANTAGONIST" "Tclin" "Homo sapiens" +"choline theophyllinate" 4390 "Adenosine receptor" "GPCR" "P25099|P28647|P29276|P30543" "Adora1|Adora2a|Adora2b|Adora3" "AA1R_RAT|AA2AR_RAT|AA2BR_RAT|AA3R_RAT" 4.7 "Ki" "Antagonist binding of N6-cyclohexyl-[3H]-adenosine to rat testes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200434" "Rattus norvegicus" +"choline theophyllinate" 4390 "Adenosine receptor A2b" "GPCR" "P29275" "ADORA2B" "AA2BR_HUMAN" 5.57 "Ki" "Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cell membrane" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200434" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200434" "ANTAGONIST" "Tclin" "Homo sapiens" +"choline theophyllinate" 4390 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 7.85 "Ki" "Binding affinity for adenosine A3 receptor by displacement of specific binding of [125I]AB-MECA in membranes from CHO-A3 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200434" "ANTAGONIST" "Tchem" "Homo sapiens" +"choline theophyllinate" 4390 "Adenosine receptor A3" "GPCR" "P28647" "Adora3" "AA3R_RAT" 4.07 "Ki" "Binding affinity to rat adenosine A3 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200434" "Rattus norvegicus" +"choline theophyllinate" 4390 "Alkaline phosphatase, tissue-nonspecific isozyme" "Enzyme" "P05186" "ALPL" "PPBT_HUMAN" 4.09 "Ki" "Inhibition of TNSALP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200434" "Tchem" "Homo sapiens" +"choline theophyllinate" 4390 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform" "Kinase" "O00329" "PIK3CD" "PK3CD_HUMAN" 4.12 "IC50" "Inhibition of PI3Kdelta (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200434" "Tclin" "Homo sapiens" +"choline theophyllinate" 4390 "Adenosine receptor A1" "GPCR" "P28190" "ADORA1" "AA1R_BOVIN" 5.42 "Ki" "Binding affinity towards adenosine A1 receptor of bovine brain membrane using [3H]-CHA at 20 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200434" "Bos taurus" +"choline theophyllinate" 4390 "Adenosine receptor A2a" "GPCR" "P30543" "Adora2a" "AA2AR_RAT" 5.17 "Ki" "Binding affinity at rat Adenosine A2A receptor by [3H]-CGS- 21680 displacement." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200434" "Rattus norvegicus" +"choline theophyllinate" 4390 "Heart phosphodiesterase" "Enzyme" "E1BN64|P14100|Q01061" "PDE1A|PDE1B|PDE3B" "E1BN64_BOVIN|PDE1A_BOVIN|PDE1B_BOVIN" 4.04 "IC50" "Inhibition of bovine heart phosphodiesterase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200434" "Bos taurus" +"choline theophyllinate" 4390 "Adenosine A2b receptor" "GPCR" "P29276" "Adora2b" "AA2BR_RAT" 4.82 "Ki" "Inhibition of [125I]-APOBX binding to rat Adenosine A2B receptor expressed in HEK cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200434" "Rattus norvegicus" +"choline theophyllinate" 4390 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 6.15 "Ki" "Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200434" "Rattus norvegicus" +"choline theophyllinate" 4390 "Adenosine A2 receptor" "GPCR" "P29274|P29275" "ADORA2A|ADORA2B" "AA2AR_HUMAN|AA2BR_HUMAN" 4.85 "Ki" "Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cyclase via adenosine A2 receptor in human platelet membranes." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200434" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200434" "ANTAGONIST" "Tclin|Tclin" "Homo sapiens" +"choline theophyllinate" 4390 "Phosphodiesterase 3" "Enzyme" "Q13370|Q14432" "PDE3A|PDE3B" "PDE3A_HUMAN|PDE3B_HUMAN" "Mechanism of Action; CHEMBL2094125; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200434" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200434" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"cisplatin" 4392 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.620150821 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"cisplatin" 4392 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.581532979 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cisplatin" 4392 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 4.639236234 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cisplatin" 4392 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.321208566 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"cisplatin" 4392 "C-X-C chemokine receptor type 2" "GPCR" "P25025" "CXCR2" "CXCR2_HUMAN" 5.024062958 "Ki" "DRUGMATRIX: Chemokine CXCR2 (IL-8B) radioligand binding (ligand: [125I] IL-8)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"cisplatin" 4392 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.029327757 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"cisplatin" 4392 "C-C chemokine receptor type 2" "GPCR" "P41597" "CCR2" "CCR2_HUMAN" 5.154158093 "Ki" "DRUGMATRIX: Chemokine CCR2B radioligand binding (ligand: [125I] MCP-1)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"cisplatin" 4392 "Mitogen-activated protein kinase 3" "Kinase" "P27361" "MAPK3" "MK03_HUMAN" 5.334982175 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"cisplatin" 4392 "Sodium/potassium-transporting ATPase subunit alpha-2" "Ion channel" "D2WKD8" "ATP1A2" "AT1A2_PIG" 5.025626493 "IC50" "DRUGMATRIX: ATPase, Na+/K+ enzyme inhibition (substrate: ATP)" "DRUG MATRIX" "=" "Sus scrofa" +"cisplatin" 4392 "Melanocortin receptor 5" "GPCR" "P33032" "MC5R" "MC5R_HUMAN" 5.219322726 "Ki" "DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"cisplatin" 4392 "Multidrug resistance-associated protein 5" "Transporter" "O15440" "ABCC5" "MRP5_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"cisplatin" 4392 "Multidrug resistance-associated protein 6" "Transporter" "O95255" "ABCC6" "MRP6_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"cisplatin" 4392 "Canalicular multispecific organic anion transporter 1" "Transporter" "Q92887" "ABCC2" "MRP2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"cisplatin" 4392 "DNA" "DNA" "Mechanism of Action" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1386" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1386" "OTHER" +"cisplatin" 4392 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.94999980926514 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1386" "Tclin" "Homo sapiens" +"cisplatin" 4392 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.36999988555908 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1386" "Tclin" "Homo sapiens" +"clofenotane" 4396 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 4.74 "IC50" "Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL416898" "Rattus norvegicus" +"eltrombopag" 4399 "Thrombopoietin receptor" "Membrane receptor" "P40238" "MPL" "TPOR_HUMAN" 7.42 "EC50" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6961" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6961" "AGONIST" "Tclin" "Homo sapiens" +"casopitant" 4401 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 5.53 "Ki" "Binding affinity to sigma 1 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1672054" "Tclin" "Homo sapiens" +"casopitant" 4401 "Substance-P receptor" "GPCR" "P25103" "TACR1" "NK1R_HUMAN" 9.9 "Ki" "Displacement of [3H]GR205171 from human NK1 receptor in cortex homogenate by liquid scintillation counting" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1672054" "http://www.ncbi.nlm.nih.gov/pubmed/19536319" "ANTAGONIST" "Tclin" "Homo sapiens" +"ceftobiprole medocaril" 4402 "MecA" "Unclassified" "Q7DHH4" "mecA" "Q7DHH4_STAAU" 5.49 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL520642" "Staphylococcus aureus" +"colesevelam" 4405 "bile acids" "Metabolite" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2000/21176lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2000/21176lbl.pdf" "CHELATING AGENT" +"plerixafor" 4410 "Stromal cell-derived factor 1" "Cytokine" "P48061" "CXCL12" "SDF1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"plerixafor" 4410 "C-C chemokine receptor type 4" "GPCR" "P51679" "CCR4" "CCR4_HUMAN" 6.19 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=844" "ANTAGONIST" "Tclin" "Homo sapiens" +"plerixafor" 4410 "Atypical chemokine receptor 3" "GPCR" "P25106" "ACKR3" "ACKR3_HUMAN" 6.85 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=844" "AGONIST" "Tchem" "Homo sapiens" +"plerixafor" 4410 "C-X-C chemokine receptor type 4" "GPCR" "P61073" "CXCR4" "CXCR4_HUMAN" 6.05 "Ki" "Displacement of [125I]12G5 antibody from human wild type CXCR4 expressed in COS7 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18442" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18442" "PARTIAL AGONIST" "Tclin" "Homo sapiens" +"plerixafor" 4410 "C-X-C chemokine receptor type 4" "GPCR" "O08565" "Cxcr4" "CXCR4_RAT" 6.97 "IC50" "Displacement of [125I]CXCL12 from CXCR4 in rat IR983F cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18442" "Rattus norvegicus" +"plerixafor" 4410 "C-C chemokine receptor type 2" "GPCR" "P41597" "CCR2" "CCR2_HUMAN" 10.4 "IC50" "Displacement of [125I]SDF1alpha from CCR2/CXCR4 expressed in CHOK1 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18442" "Tchem" "Homo sapiens" +"dexchlorpheniramine" 4411 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.117760152 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dexchlorpheniramine" 4411 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.156767222 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dexchlorpheniramine" 4411 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.886056648 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dexchlorpheniramine" 4411 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.307593765 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dexchlorpheniramine" 4411 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.97674754 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dexchlorpheniramine" 4411 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.914709422 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dexchlorpheniramine" 4411 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.677160727 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dexchlorpheniramine" 4411 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.084705717 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dexchlorpheniramine" 4411 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.477555766 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dexchlorpheniramine" 4411 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.604324215 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dexchlorpheniramine" 4411 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.262012674 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dexchlorpheniramine" 4411 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.559090918 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dexchlorpheniramine" 4411 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.125518182 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dexchlorpheniramine" 4411 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.131355562 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dexchlorpheniramine" 4411 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 4.780546463 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"dexchlorpheniramine" 4411 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 5.064845553 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" +"dexchlorpheniramine" 4411 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 4.930887149 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" +"dexchlorpheniramine" 4411 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "UNKNOWN" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200927" "ANTAGONIST" "Tclin" "Homo sapiens" +"dihydroergocryptine" 4420 "5-hydroxytryptamine receptor 7" "GPCR" "P32304" "Htr7" "5HT7R_MOUSE" 7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=282" "ANTAGONIST" "Mus musculus" +"dihydroergocryptine" 4420 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 6.5 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=282" "ANTAGONIST" "Rattus norvegicus" +"dihydroergocryptine" 4420 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.48 "Ki" "Biased for β-arrestin signalling." "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=282" "AGONIST" "Tclin" "Homo sapiens" +"colistin" 4425 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.823908741 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"colistin" 4425 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 6.018181393 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"colistin" 4425 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.652279783 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"colistin" 4425 "Melanocortin receptor 4" "GPCR" "P32245" "MC4R" "MC4R_HUMAN" 6.092051478 "Ki" "DRUGMATRIX: Melanocortin MC4 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"colistin" 4425 "Melanocortin receptor 5" "GPCR" "P33032" "MC5R" "MC5R_HUMAN" 6.603800653 "Ki" "DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"colistin" 4425 "Melanocortin receptor 3" "GPCR" "P41968" "MC3R" "MC3R_HUMAN" 6.774690718 "Ki" "DRUGMATRIX: Melanocortin MC3 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"bufylline" 4426 "Adenosine A2a receptor" "Unclassified" "P46616" "ADORA2A" "AA2AR_CAVPO" 4.89 "Ki" "Antagonist binding of N6-cyclohexyl-[3H]-adenosine to guinea pig brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104089" "Cavia porcellus" +"bufylline" 4426 "Phosphodiesterase 4" "Enzyme" "P27815|Q07343|Q08493|Q08499" "PDE4A|PDE4B|PDE4C|PDE4D" "PDE4A_HUMAN|PDE4B_HUMAN|PDE4C_HUMAN|PDE4D_HUMAN" 4.25 "Ki" "Inhibition of c-AMP phosphodiesterase activity in guinea pig tracheal muscle" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104089" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104089" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"bufylline" 4426 "Adenosine A2 receptor" "GPCR" "P29276|P30543" "Adora2a|Adora2b" "AA2AR_RAT|AA2BR_RAT" 5.88 "Ki" "Binding of Adenosine A2 receptor in whole rat brain membrane using [3H]CHA as a Radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104089" "Rattus norvegicus" +"bufylline" 4426 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 9.22 "Ki" "Binding affinity for adenosine A1 receptor by using as [3H]CPX iradioligand n membranes from Chinese hamster ovary cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104089" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104089" "ANTAGONIST" "Tclin" "Homo sapiens" +"bufylline" 4426 "Uncharacterized protein" "Enzyme" "E1BN64" "PDE3B" "E1BN64_BOVIN" 4.11 "Ki" "Inhibition of bovine heart phosphodiesterase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104089" "Bos taurus" +"bufylline" 4426 "Adenosine receptor A1" "GPCR" "P47745" "ADORA1" "AA1R_CAVPO" 5.01 "Ki" "Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]CPX." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104089" "Cavia porcellus" +"bufylline" 4426 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 9.22 "Ki" "Binding affinity for adenosine A2a receptor by using as [3H]ZM-241385 radioligand in membranes from HEK-A2A cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104089" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104089" "ANTAGONIST" "Tclin" "Homo sapiens" +"bufylline" 4426 "Adenosine receptor" "GPCR" "P25099|P28647|P29276|P30543" "Adora1|Adora2a|Adora2b|Adora3" "AA1R_RAT|AA2AR_RAT|AA2BR_RAT|AA3R_RAT" 4.7 "Ki" "Antagonist binding of N6-cyclohexyl-[3H]-adenosine to rat testes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104089" "Rattus norvegicus" +"bufylline" 4426 "Adenosine receptor A2b" "GPCR" "P29275" "ADORA2B" "AA2BR_HUMAN" 5.57 "Ki" "Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cell membrane" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104089" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104089" "ANTAGONIST" "Tclin" "Homo sapiens" +"bufylline" 4426 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 7.85 "Ki" "Binding affinity for adenosine A3 receptor by displacement of specific binding of [125I]AB-MECA in membranes from CHO-A3 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104089" "ANTAGONIST" "Tchem" "Homo sapiens" +"bufylline" 4426 "Adenosine receptor A3" "GPCR" "P28647" "Adora3" "AA3R_RAT" 4.07 "Ki" "Binding affinity to rat adenosine A3 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104089" "Rattus norvegicus" +"bufylline" 4426 "Alkaline phosphatase, tissue-nonspecific isozyme" "Enzyme" "P05186" "ALPL" "PPBT_HUMAN" 4.09 "Ki" "Inhibition of TNSALP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104089" "Tchem" "Homo sapiens" +"bufylline" 4426 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform" "Kinase" "O00329" "PIK3CD" "PK3CD_HUMAN" 4.12 "IC50" "Inhibition of PI3Kdelta (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104089" "Tclin" "Homo sapiens" +"bufylline" 4426 "Adenosine receptor A1" "GPCR" "P28190" "ADORA1" "AA1R_BOVIN" 5.42 "Ki" "Binding affinity towards adenosine A1 receptor of bovine brain membrane using [3H]-CHA at 20 uM" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104089" "Bos taurus" +"bufylline" 4426 "Adenosine receptor A2a" "GPCR" "P30543" "Adora2a" "AA2AR_RAT" 5.17 "Ki" "Binding affinity at rat Adenosine A2A receptor by [3H]-CGS- 21680 displacement." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104089" "Rattus norvegicus" +"bufylline" 4426 "Heart phosphodiesterase" "Enzyme" "E1BN64|P14100|Q01061" "PDE1A|PDE1B|PDE3B" "E1BN64_BOVIN|PDE1A_BOVIN|PDE1B_BOVIN" 4.04 "IC50" "Inhibition of bovine heart phosphodiesterase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104089" "Bos taurus" +"bufylline" 4426 "Adenosine A2b receptor" "GPCR" "P29276" "Adora2b" "AA2BR_RAT" 4.82 "Ki" "Inhibition of [125I]-APOBX binding to rat Adenosine A2B receptor expressed in HEK cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104089" "Rattus norvegicus" +"bufylline" 4426 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 6.15 "Ki" "Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104089" "Rattus norvegicus" +"bufylline" 4426 "Adenosine A2 receptor" "GPCR" "P29274|P29275" "ADORA2A|ADORA2B" "AA2AR_HUMAN|AA2BR_HUMAN" 4.85 "Ki" "Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cyclase via adenosine A2 receptor in human platelet membranes." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104089" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104089" "ANTAGONIST" "Tclin|Tclin" "Homo sapiens" +"bufylline" 4426 "Phosphodiesterase 3" "Enzyme" "Q13370|Q14432" "PDE3A|PDE3B" "PDE3A_HUMAN|PDE3B_HUMAN" "Mechanism of Action; CHEMBL2094125; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104089" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104089" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"calcitonin human" 4427 "Calcitonin receptor" "GPCR" "P30988" "CALCR" "CALCR_HUMAN" 7.809668 "IC50" "IC50 values for peptides in competition for 125I-labeled salmon CT binding to COS-7 cells cotransfected with 100 ng of hCTR and 100 ng of RAMP." "SCIENTIFIC LITERATURE" "=" 1 "CHEMBL" "http://www.ncbi.nlm.nih.gov/pubmed/10385705" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201614" "AGONIST" "Tclin" "Homo sapiens" +"calcitonin human" 4427 "Amylin receptor AMY1" "GPCR" "O60894|P30988" "CALCR|RAMP1" "CALCR_HUMAN|RAMP1_HUMAN" 7.530178 "IC50" "IC50 values for peptides in competition for 125I-labeled salmon CT binding to COS-7 cells cotransfected with 100 ng of hCTR and 100 ng of RAMP." "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/10385705" "AGONIST" "Tclin|Tclin" "Homo sapiens" +"calcitonin human" 4427 "Amylin receptor AMY2" "GPCR" "O60895|P30988" "CALCR|RAMP2" "CALCR_HUMAN|RAMP2_HUMAN" 8.082494 "IC50" "IC50 values for peptides in competition for 125I-labeled salmon CT binding to COS-7 cells cotransfected with 100 ng of hCTR and 100 ng of RAMP." "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/10385705" "AGONIST" "Tchem|Tclin" "Homo sapiens" +"calcitonin human" 4427 "Amylin receptor AMY3" "GPCR" "O60896|P30988" "CALCR|RAMP3" "CALCR_HUMAN|RAMP3_HUMAN" 7.705534 "IC50" "IC50 values for peptides in competition for 125I-labeled salmon CT binding to COS-7 cells cotransfected with 100 ng of hCTR and 100 ng of RAMP." "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/10385705" "AGONIST" "Tclin|Tclin" "Homo sapiens" +"prednisolone sodium phosphate" 4451 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2010/021959s004lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2010/021959s004lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"clobetasol propionate" 4452 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 9.179142011 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1159650" "AGONIST" "Tclin" "Homo sapiens" +"clobetasol propionate" 4452 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.599116784 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"clobetasol propionate" 4452 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 8.818156412 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"clobetasol propionate" 4452 "Annexin A1" "Cytosolic other" "P04083" "ANXA1" "ANXA1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"clobetasol propionate" 4452 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 5.07000017166138 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1159650" "Tchem" "Homo sapiens" +"clobetasol propionate" 4452 "Bile salt export pump" "Unclassified" "O70127" "Abcb11" "ABCBB_RAT" 4.46 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1159650" "Rattus norvegicus" +"clobetasol propionate" 4452 "Glucocorticoid receptor" "Transcription factor" "P06536" "Nr3c1" "GCR_RAT" 8.5 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1159650" "Rattus norvegicus" +"testosterone cypionate" 4454 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" "Mechanism of Action; CHEMBL1871; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201101" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201101" "AGONIST" "Tclin" "Homo sapiens" +"hydrocortisone succinate" 4456 "Glucocorticoid receptor" "Transcription factor" "P06537" "Nr3c1" "GCR_MOUSE" 6.72 "Kd" "Displacement of 1 x 10'-8 M of [1,2,3-3H]-triamcinolone acetonide from glucocorticoid receptor in soluble fraction of mouse L929 cells after 20 hrs" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL977" "Mus musculus" +"hydrocortisone succinate" 4456 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action; CHEMBL2034; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL977" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL977" "AGONIST" "Tclin" "Homo sapiens" +"sulfisoxazole acetyl" 4458 "Dihydropteroate synthase" "Enzyme" "P0AC13" "folP" "DHPS_ECOLI" "Mechanism of Action; CHEMBL2364668; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL453" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL453" "INHIBITOR" "Escherichia coli (strain K12)" +"sulfisoxazole acetyl" 4458 "Endothelin-1 receptor" "GPCR" "P26684" "Ednra" "EDNRA_RAT" 6.11 "IC50" "Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL453" "Rattus norvegicus" +"sulfisoxazole acetyl" 4458 "Endothelin-1 receptor" "GPCR" "P25101" "EDNRA" "EDNRA_HUMAN" 6.11 "IC50" "Inhibitory concentration against Endothelin A receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL453" "Tclin" "Homo sapiens" +"sulfisoxazole acetyl" 4458 "Endothelin B receptor" "GPCR" "P24530" "EDNRB" "EDNRB_HUMAN" 4.62 "IC50" "Binding affinity against human Endothelin B receptor in transfected COS 7 cell membrane preparation" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL453" "Tclin" "Homo sapiens" +"eosin" 4466 "RmtA" "Enzyme" "Q5VLE3" "rmtA" "Q5VLE3_EMEND" 4.74 "IC50" "Inhibition of Aspergillus nidulans RmtA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408917" "Emericella nidulans" +"eosin" 4466 "Protein arginine N-methyltransferase 1" "Enzyme" "Q99873" "PRMT1" "ANM1_HUMAN" 6 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408917" "Tchem" "Homo sapiens" +"esketamine" 4468 "Glutamate NMDA receptor" "Ion channel" "P35439|Q00959|Q00960|Q00961|Q62645|Q8VHN2|Q9R1M7" "Grin1|Grin2a|Grin2b|Grin2c|Grin2d|Grin3a|Grin3b" "NMD3A_RAT|NMD3B_RAT|NMDE1_RAT|NMDE2_RAT|NMDE3_RAT|NMDE4_RAT|NMDZ1_RAT" 6.1611 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/23183107" "ANTAGONIST" "Rattus norvegicus" +"fosaprepitant" 4470 "Substance-P receptor" "GPCR" "P25103" "TACR1" "NK1R_HUMAN" 8.92 "IC50" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7623" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1199324" "ANTAGONIST" "Tclin" "Homo sapiens" +"sodium citrate" 4477 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 7 "Ki" "Binding affinity against human cytosolic Carbonic anhydrase IV" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1355" "Tclin" "Homo sapiens" +"sodium citrate" 4477 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 4.41 "Ki" "Inhibition of Candida albicans Nce103" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1355" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"potassium phosphate, monobasic" 4480 "Intestinal alkaline phosphatase" "Unclassified" "P19111" "ALPI" "PPBI_BOVIN" 5.62 "IC50" "Inhibition of calf intestinal alkaline phosphatase using p-nitrophenyl phosphate as substrate preincubated for 10 mins before substrate addition after 30 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200925" "Bos taurus" +"corbadrine" 4482 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2a|Adra2b|Adra2c" "ADA2A_RAT|ADA2B_RAT|ADA2C_RAT" 6.69 "Ki" "Alpha-2 adrenergic receptor binding affinity was tested against membrane preparations of rat brain." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL677" "Rattus norvegicus" +"corbadrine" 4482 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 5.44 "Ki" "Compound was evaluated for inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor in rat forebrain homogenate." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL677" "Rattus norvegicus" +"corbadrine" 4482 "Adrenergic receptor alpha-2" "GPCR" "P08913|P18089|P18825" "ADRA2A|ADRA2B|ADRA2C" "ADA2A_HUMAN|ADA2B_HUMAN|ADA2C_HUMAN" "Mechanism of Action; CHEMBL2095158; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL677" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL677" "AGONIST" "Tclin|Tclin|Tclin" "Homo sapiens" +"corbadrine" 4482 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=508" "AGONIST" "Tclin" "Homo sapiens" +"carfilzomib" 4483 "Proteasome subunit beta type-5" "Enzyme" "P28074" "PSMB5" "PSB5_HUMAN" 8.221848487854 "IC50" "fluorogenic peptide substrate hydrolysis" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/17616698" "http://www.ncbi.nlm.nih.gov/pubmed/17616698" "INHIBITOR" "Tclin" "Homo sapiens" +"carfilzomib" 4483 "Cathepsin B" "Enzyme" "P07858" "CTSB" "CATB_HUMAN" 4.96 "IC50" "Inhibition of recombinant cathepsin B (unknown origin) using Z-Leu-Arg-AMC as substrate by spectrofluorometer analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL451887" "Tchem" "Homo sapiens" +"carfilzomib" 4483 "Proteasome subunit beta type-8" "Enzyme" "P28062" "PSMB8" "PSB8_HUMAN" 7.85 "IC50" "Inhibition of chymotrypsin-like activity of LMP7 immunoproteasome by proteasome active site ELISA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL451887" "Tclin" "Homo sapiens" +"aclidinium bromide" 4484 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 10.1 "Ki" "Binding affinity to muscarinic M2 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL551466" "Tclin" "Homo sapiens" +"aclidinium bromide" 4484 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 10.1 "Ki" "Binding affinity to muscarinic M1 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL551466" "Tclin" "Homo sapiens" +"aclidinium bromide" 4484 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 10.15 "Ki" "Binding affinity to muscarinic M3 receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL551466" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL551466" "ANTAGONIST" "Tclin" "Homo sapiens" +"aclidinium bromide" 4484 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 9.7 "IC50" "Displacement of [3H]NMS from human muscarinic M4 receptor expressed in CHO-K1 cells after 16 hrs by scintillation proximity assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL551466" "Tclin" "Homo sapiens" +"aclidinium bromide" 4484 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 9.8 "IC50" "Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO-K1 cells after 16 hrs by scintillation proximity assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL551466" "Tclin" "Homo sapiens" +"diflorasone diacetate" 4485 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.536107011 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200545" "AGONIST" "Tclin" "Homo sapiens" +"diflorasone diacetate" 4485 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 7.823908741 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"alclometasone dipropionate" 4493 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action; CHEMBL2034; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200989" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200989" "AGONIST" "Tclin" "Homo sapiens" +"haloperidol decanoate" 4496 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.34 "Ki" "Displacement of [3H]spiperone from human D2short receptor stably expressed in CHO cell membranes by competitive binding assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200986" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200986" "INVERSE AGONIST" "Tclin" "Homo sapiens" +"haloperidol decanoate" 4496 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.23999977111816 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200986" "Tchem" "Homo sapiens" +"haloperidol decanoate" 4496 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.46000003814697 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200986" "Tclin" "Homo sapiens" +"haloperidol decanoate" 4496 "D(1A) dopamine receptor" "GPCR" "P50130" "DRD1" "DRD1_PIG" 6.85 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200986" "Sus scrofa" +"estradiol acetate" 4497 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" "Mechanism of Action; CHEMBL206; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200430" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200430" "AGONIST" "Tclin" "Homo sapiens" +"paliperidone palmitate" 4498 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/022264s013s014lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/022264s013s014lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"paliperidone palmitate" 4498 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/022264s013s014lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/022264s013s014lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"paliperidone palmitate" 4498 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.89 "IC50" "Inhibition of human ERG channel" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2107360" "Tclin" "Homo sapiens" +"armodafinil" 4501 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.4975 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201192" "INHIBITOR" "Tclin" "Homo sapiens" +"armodafinil" 4501 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.9208 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"armodafinil" 4501 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"armodafinil" 4501 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"armodafinil" 4501 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"armodafinil" 4501 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 5.49 "Ki" "Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201192" "Rattus norvegicus" +"hydrocortisone valerate" 4504 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action; CHEMBL2034; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200562" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200562" "AGONIST" "Tclin" "Homo sapiens" +"choline fenofibrate" 4505 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 4.46 "Ki" "Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR alpha)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL981" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL981" "AGONIST" "Tclin" "Homo sapiens" +"choline fenofibrate" 4505 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 7.03 "Kd" "Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 5 deg C by fluorimetric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL981" "Rattus norvegicus" +"choline fenofibrate" 4505 "Fatty acid-binding protein, intestinal" "Cytosolic other" "P12104" "FABP2" "FABPI_HUMAN" 6 "Ki" "Displacement of 1-anilinonaphthalene-8-sulphonic acid from I-FABP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL981" "Tchem" "Homo sapiens" +"halcinonide" 4507 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 9.135488919 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200845" "AGONIST" "Tclin" "Homo sapiens" +"halcinonide" 4507 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 6.229147988 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" +"halcinonide" 4507 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 9.91721463 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" +"racepinefrine" 4508 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" +"racepinefrine" 4508 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 5 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" +"racepinefrine" 4508 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 5.1 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" +"lithium citrate" 4512 "Inositol-1(or 4)-monophosphatase 1" "Enzyme" "P29218" "IMPA1" "IMPA1_HUMAN" "Mechanism of Action; CHEMBL1786; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200826" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200826" "INHIBITOR" "Tclin" "Homo sapiens" +"lithium citrate" 4512 "Glycogen synthase kinase-3" "Kinase" "P49840|P49841" "GSK3A|GSK3B" "GSK3A_HUMAN|GSK3B_HUMAN" "Mechanism of Action; CHEMBL2095188; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200826" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200826" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"teriparatide" 4514 "Parathyroid hormone/parathyroid hormone-related peptide receptor" "GPCR" "Q03431" "PTH1R" "PTH1R_HUMAN" 7.4 "IC50" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4448" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL525610" "AGONIST" "Tclin" "Homo sapiens" +"teriparatide" 4514 "Parathyroid hormone 2 receptor" "GPCR" "P49190" "PTH2R" "PTH2R_HUMAN" 7.8 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4448" "AGONIST" "Tchem" "Homo sapiens" +"teriparatide" 4514 "Parathyroid hormone 2 receptor" "Unclassified" "P70555" "Pth2r" "PTH2R_RAT" 6.3 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4448" "AGONIST" "Rattus norvegicus" +"teriparatide" 4514 "Parathyroid hormone/parathyroid hormone-related peptide receptor" "GPCR" "P25961" "Pth1r" "PTH1R_RAT" 8.7 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4448" "AGONIST" "Rattus norvegicus" +"tetracosactide" 4516 "Adrenocorticotropic hormone receptor" "GPCR" "Q01718" "MC2R" "ACTHR_HUMAN" 8.26760578155518 "Ki" "125I-ACTH binding in OS3 cells expressing hMC2R wild type" "SCIENTIFIC LITERATURE" "=" 1 "CHEMBL" "http://www.ncbi.nlm.nih.gov/pubmed/17877367" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2103784" "AGONIST" "Tclin" "Homo sapiens" +"tetracosactide" 4516 "Melanocortin receptor 4" "GPCR" "P32245" "MC4R" "MC4R_HUMAN" 9.19 "EC50" "Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stimulatory response after 6 hrs" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2103784" "Tclin" "Homo sapiens" +"potassium citrate" 4519 "pH (H+ ion activity)" "Unclassified" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2010/019071s012lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2010/019071s012lbl.pdf" "OTHER" +"quinine" 4523 "Hemoglobin subunit alpha" "Secreted" "P69905" "HBA1" "HBA_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"quinine" 4523 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"quinine" 4523 "Equilibrative nucleoside transporter 4" "Transporter" "Q7RTT9" "SLC29A4" "S29A4_HUMAN" 4.57 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2510" "INHIBITOR" "Tbio" "Homo sapiens" +"quinine" 4523 "Potassium voltage-gated channel subfamily B member 2" "Ion channel" "Q92953" "KCNB2" "KCNB2_HUMAN" 4.9 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2510" "BLOCKER" "Tclin" "Homo sapiens" +"quinine" 4523 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 4.92 "Ki" "High affinity constant at binding site of human P-Glycoprotein (P-gp) in two-affinity model" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL170" "Tchem" "Homo sapiens" +"quinine" 4523 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.29 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL170" "Tchem" "Homo sapiens" +"quinine" 4523 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.36 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL170" "Tclin|Tclin|Tclin" "Homo sapiens" +"fenbendazole" 4536 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 5.496481687 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"fenbendazole" 4536 "Beta-lactamase 1" "Enzyme" "P10424" "penPC" "BLA1_BACCE" 5.222283261 "IC50" "DRUGMATRIX: beta-Lactamase enzyme inhibition (substrate: Nitrocefin)" "DRUG MATRIX" "=" "Bacillus cereus" +"fluticasone furoate" 4554 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 10.12 "IC50" "Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1473" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1473" "AGONIST" "Tclin" "Homo sapiens" +"fluticasone furoate" 4554 "Glucocorticoid receptor" "Transcription factor" "P06536" "Nr3c1" "GCR_RAT" 8.3 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1473" "Rattus norvegicus" +"gepirone" 4562 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.89 "Ki" "Displacement of [3H]8-OH-DPAT from human 5HT1A receptor in HEK293 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL284092" "AGONIST" "Tclin" "Homo sapiens" +"gepirone" 4562 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.24 "Ki" "Binding affinity to D2 receptor by radioligand binding assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL284092" "Tclin" "Homo sapiens" +"gepirone" 4562 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1a|Adra1b|Adra1d" "ADA1A_RAT|ADA1B_RAT|ADA1D_RAT" 5.62 "Ki" "Displacement of [3H]prazosin from adrenergic alpha-1 receptor in rat cerebral cortex cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL284092" "Rattus norvegicus" +"gepirone" 4562 "Serotonin 1 (5-HT1) receptor" "GPCR" "P19327|P28564|P28565|P30940" "Htr1a|Htr1b|Htr1d|Htr1f" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT" 6.17 "IC50" "Binding affinity towards hippocampus 5-hydroxytryptamine 1 receptor was measured using radioligand [3H]5-HT" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL284092" "Rattus norvegicus" +"gepirone" 4562 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 7.5 "Ki" "In vitro ability to displace [3H]8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL284092" "Rattus norvegicus" +"sodium oxybate" 4566 "Gamma-hydroxybutyrate receptor" "Unclassified" "Q6RY99" "Tspan17" "Q6RY99_RAT" 5.18 "IC50" "Binding affinity towards [3H]GHB binding site" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1342" "Rattus norvegicus" +"sodium oxybate" 4566 "GABA-B receptor" "GPCR" "O75899|Q9UBS5" "GABBR1|GABBR2" "GABR1_HUMAN|GABR2_HUMAN" "Mechanism of Action; CHEMBL2111463; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1342" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1342" "AGONIST" "Tclin|Tclin" "Homo sapiens" +"hydrocortisone probutate" 4569 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action; CHEMBL2034; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200953" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200953" "AGONIST" "Tclin" "Homo sapiens" +"iclaprim" 4573 "Dihydrofolate reductase" "Enzyme" "P16184" "DYR_PNECA" 5.62 "IC50" "Inhibition of Pneumocystis carinii dihydrofolate reductase (DHFR) enzyme by trimethoprim (TMP)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL134561" "Pneumocystis carinii" +"iclaprim" 4573 "Dihydrofolate reductase" "Enzyme" "P00374" "DHFR" "DYR_HUMAN" 6.11 "Ki" "Inhibition of human DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate addition by spectrophotometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL134561" "Tclin" "Homo sapiens" +"iclaprim" 4573 "Dihydrofolate reductase" "Unclassified" "B0BL08" "dfrA17" "B0BL08_ECOLX" 8.15 "IC50" "Inhibition of Escherichia coli dihydrofolate reductase (DHFR) enzyme by trimethoprim (TMP)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL134561" "Escherichia coli" +"iclaprim" 4573 "Dihydrofolate reductase" "Enzyme" "P0A017" "folA" "DYR_STAAU" 10.1 "Ki" "Inhibition of Staphylococcus aureus DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric analysis in presence of NADPH" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL134561" "Staphylococcus aureus" +"lanthanum carbonate" 4585 "phosphate" "Metabolite" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021468s019lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021468s019lbl.pdf" "SEQUESTERING AGENT" +"levomethadone" 4586 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprk1|Oprm1|Sigmar1" "OPRD_RAT|OPRK_RAT|OPRM_RAT|SGMR1_RAT" 8.7 "Ki" "Inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the absence of Na" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL159659" "Rattus norvegicus" +"linopirdine" 4588 "Potassium voltage-gated channel subfamily KQT member 5" "Ion channel" "Q9NR82" "KCNQ5" "KCNQ5_HUMAN" 4.8 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2599" "BLOCKER" "Tclin" "Homo sapiens" +"linopirdine" 4588 "Potassium voltage-gated channel subfamily KQT member 4" "Ion channel" "P56696" "KCNQ4" "KCNQ4_HUMAN" 4.9 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2599" "BLOCKER" "Tclin" "Homo sapiens" +"linopirdine" 4588 "Potassium voltage-gated channel subfamily KQT member 2" "Ion channel" "O43526" "KCNQ2" "KCNQ2_HUMAN" 5.3 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2599" "BLOCKER" "Tclin" "Homo sapiens" +"linopirdine" 4588 "Potassium voltage-gated channel subfamily KQT member 3" "Unclassified" "O88944" "Kcnq3" "KCNQ3_RAT" 5.4 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2599" "INHIBITOR" "Rattus norvegicus" +"linopirdine" 4588 "Potassium voltage-gated channel subfamily KQT member 1" "Unclassified" "P97414" "Kcnq1" "KCNQ1_MOUSE" 4.4 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2599" "INHIBITOR" "Mus musculus" +"diosmetin" 4601 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" 5.52 "IC50" "Inhibition of MRP1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL90568" "Tchem" "Homo sapiens" +"diosmetin" 4601 "Cytochrome P450 1B1" "Enzyme" "Q16678" "CYP1B1" "CP1B1_HUMAN" 7.54 "IC50" "Inhibition of human CYP1B1 by EROD assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL90568" "Tchem" "Homo sapiens" +"tonzonium" 4605 "Insulin-degrading enzyme" "Enzyme" "P14735" "IDE" "IDE_HUMAN" 4.26999998092651 "EC50" "PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-based biochemical high throughput dose response assay for activators of recombinant IDE. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493087, AID493124, AID588439, AID588440, AID588442]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200883" "Tchem" "Homo sapiens" +"tonzonium" 4605 "Dual specificity tyrosine-phosphorylation-regulated kinase 1A" "Unclassified" "Q63470" "Dyrk1a" "DYR1A_RAT" 5.03 "AC50" "active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200883" "Rattus norvegicus" +"clocortolone pivalate" 4606 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action; CHEMBL2034; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200975" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200975" "AGONIST" "Tclin" "Homo sapiens" +"trypan blue" 4608 "Tyrosine-protein phosphatase non-receptor type 1" "Enzyme" "P18031" "PTPN1" "PTN1_HUMAN" 5.41 "IC50" "Inhibition of human PTPase 1B" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1640" "Tchem" "Homo sapiens" +"trypan blue" 4608 "Tyrosine-protein phosphatase 1" "Enzyme" "P25044" "PTP1" "PTP1_YEAST" 5.13 "IC50" "Inhibitory activity against Saccharomyces cerevisiae Tyrosine phosphatase 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1640" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"testosterone enantate" 4609 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" "Mechanism of Action; CHEMBL1871; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200335" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200335" "AGONIST" "Tclin" "Homo sapiens" +"stearic acid" 4611 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 4.52 "IC50" "Displacement of [3H]BRL49653 from Homo sapiens (human) PPARgamma receptor by scintillation proximity assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46403" "Tclin" "Homo sapiens" +"stearic acid" 4611 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 5.96 "IC50" "Displacement of [3H]GW2331 from Homo sapiens (human) PPARalpha receptor by scintillation proximity assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46403" "Tclin" "Homo sapiens" +"stearic acid" 4611 "Peroxisome proliferator-activated receptor delta" "Nuclear hormone receptor" "Q03181" "PPARD" "PPARD_HUMAN" 5.22 "IC50" "Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scintillation proximity assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46403" "Tchem" "Homo sapiens" +"stearic acid" 4611 "Fatty acid-binding protein, adipocyte" "Cytosolic other" "P15090" "FABP4" "FABP4_HUMAN" 4.1 "Kd" "Binding affinity against Adipocyte lipid binding protein" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46403" "Tchem" "Homo sapiens" +"methylnaltrexone" 4616 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 7.55 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1186579" "ANTAGONIST" "Tclin" "Homo sapiens" +"methylnaltrexone" 4616 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 6.65 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"methylnaltrexone" 4616 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.1 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"methylnaltrexone" 4616 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 6.05 "Ki" "Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1186579" "Tclin" "Homo sapiens" +"linolenic acid" 4618 "Fatty acid-binding protein, heart" "Cytosolic other" "P05413" "FABP3" "FABPH_HUMAN" 8.56 "Kd" "Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) in DMPC liposomes by surface plasmon resonance analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL8739" "Tchem" "Homo sapiens" +"linolenic acid" 4618 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 4.35 "IC50" "Inhibition of aromatase in human placental microsomes by radiometric method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL8739" "Tclin" "Homo sapiens" +"linolenic acid" 4618 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 4.92 "IC50" "Inhibition of sheep COX2-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL8739" "Ovis aries" +"linolenic acid" 4618 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.4 "Ki" "Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate assessed as formation of prostanoid products preincubated for 10 mins prior to substrate addition measured after 2 mins by Ellman's method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL8739" "Tclin" "Homo sapiens" +"linolenic acid" 4618 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 5.7 "Kd" "Binding affinity to PPARgamma" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL8739" "Tclin" "Homo sapiens" +"linolenic acid" 4618 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 8.1 "Kd" "Binding affinity to PPAR-alpha (unknown origin) by fluorescence-based assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL8739" "Tclin" "Homo sapiens" +"linolenic acid" 4618 "Prostaglandin G/H synthase 1" "Enzyme" "O62664" "PTGS1" "PGH1_BOVIN" 4.03 "IC50" "Inhibition of bovine COX1-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL8739" "Bos taurus" +"linolenic acid" 4618 "Peroxisome proliferator-activated receptor delta" "Nuclear hormone receptor" "Q03181" "PPARD" "PPARD_HUMAN" 4.8 "IC50" "Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scintillation proximity assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL8739" "Tchem" "Homo sapiens" +"linolenic acid" 4618 "Tissue factor" "Membrane receptor" "P13726" "F3" "TF_HUMAN" 4.52 "IC50" "Inhibition of amidolytic activity of human tissue factor/human factor 7a" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL8739" "Tchem" "Homo sapiens" +"levomefolic acid" 4621 "Thymidylate synthase" "Enzyme" "P04818" "TYMS" "TYSY_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"linaclotide" 4622 "Heat-stable enterotoxin receptor" "Enzyme" "P25092" "GUCY2C" "GUC2C_HUMAN" 8.90657806396484 "Ki" "competitive radioligand binding assay with [125I]-STa" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/20863829" "http://www.ncbi.nlm.nih.gov/pubmed/20863829" "AGONIST" "Tclin" "Homo sapiens" +"linaclotide" 4622 "Heat-stable enterotoxin receptor" "Unclassified" "P23897" "Gucy2c" "GUC2C_RAT" 8.38 "Ki" "Competitive-inhibition of [125I]-STa binding to rat intestinal mucosa" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=5017" "AGONIST" "Rattus norvegicus" +"spinosad" 4623 "Nicotinic acetylcholine receptor" "Ion channel" "E0VB18|E0VB20|E0VDF4|E0VDF5|E0VDF7|E0VP62" "E0VB18_PEDHC|E0VB20_PEDHC|E0VDF4_PEDHC|E0VDF5_PEDHC|E0VDF7_PEDHC|E0VP62_PEDHC" "Mechanism of Action; CHEMBL2364023; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2040681" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2040681" "AGONIST" "Pediculus humanus subsp. corporis" +"phenylacetic acid" 4624 "glutamine" "Amino acid" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2011/020645s008lbl.pdf" "OTHER" +"phenylacetic acid" 4624 "Aldose reductase" "Enzyme" "P15121" "AKR1B1" "ALDR_HUMAN" 4.02 "IC50" "Inhibition of aldose reductase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1044" "Tclin" "Homo sapiens" +"sincalide" 4627 "Cholecystokinin receptor type A" "GPCR" "P32238" "CCKAR" "CCKAR_HUMAN" 9.55 "Ki" "Displacement of radiolabeled CCK-8s from human CCK1 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1121" "Tclin" "Homo sapiens" +"sincalide" 4627 "Cholecystokinin receptor type A" "GPCR" "Q63931" "CCKAR" "CCKAR_CAVPO" 9.55 "Ki" "Inhibition of [3H]pCCK-8 binding to Cholecystokinin type A receptor of Guinea pig pancreatic membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1121" "Cavia porcellus" +"sincalide" 4627 "Gastrin/cholecystokinin type B receptor" "GPCR" "P30553" "Cckbr" "GASR_RAT" 9.39 "Ki" "Binding affinity for Cholecystokinin type B receptor using [125I]-BH-CCK-8 in rat cortex synaptosomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1121" "Rattus norvegicus" +"sincalide" 4627 "Cholecystokinin receptor" "GPCR" "O08786|P56481" "Cckar|Cckbr" "CCKAR_MOUSE|GASR_MOUSE" 9.52 "Ki" "Potency in displacing [3H]propionyl-Cholecystokinin from mouse brain membranes." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1121" "Mus musculus" +"sincalide" 4627 "Cholecystokinin receptor type A" "GPCR" "P30551" "Cckar" "CCKAR_RAT" 10.05 "Ki" "Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1121" "Rattus norvegicus" +"sincalide" 4627 "Gastrin/cholecystokinin type B receptor" "GPCR" "P32239" "CCKBR" "GASR_HUMAN" 9.55 "Ki" "Tested for the inhibition of [3H]pCCK-8 binding to Cholecystokinin type B receptor in guinea pig brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1121" "Tclin" "Homo sapiens" +"sincalide" 4627 "Gastrin/cholecystokinin type B receptor" "GPCR" "P56481" "Cckbr" "GASR_MOUSE" 9.52 "IC50" "Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1121" "Mus musculus" +"enzalutamide" 4628 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 7.31 "EC50" "Displacement of [3H]R1881 from AR in human MDA-MB-453 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1082407" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1082407" "ANTAGONIST" "Tclin" "Homo sapiens" +"sodium pyrophosphate" 4630 "Farnesyl pyrophosphate synthase" "Enzyme" "P14324" "FDPS" "FPPS_HUMAN" 4.53 "Ki" "Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL450079" "Tclin" "Homo sapiens" +"nitroprusside" 4631 "Atrial natriuretic peptide receptor 1" "Enzyme" "P16066" "NPR1" "ANPRA_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"nitroprusside" 4631 "Soluble guanylate cyclase" "Enzyme" "O75343|P33402|Q02108|Q02153" "GUCY1A2|GUCY1A3|GUCY1B2|GUCY1B3" "GCYA2_HUMAN|GCYA3_HUMAN|GCYB1_HUMAN|GCYB2_HUMAN" "Mechanism of Action; CHEMBL2111348; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL136478" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL136478" "ACTIVATOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"trabectedin" 4633 "DNA" "DNA" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/000773/WC500045832.pdf" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/000773/WC500045832.pdf" "ALKYLATING AGENT" +"trabectedin" 4633 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 6.68 "IC50" "Inhibition of Src" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL297812" "Tclin" "Homo sapiens" +"trabectedin" 4633 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O54915" "Nr1i2" "NR1I2_MOUSE" 8.52 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2774" "ANTAGONIST" "Mus musculus" +"teriflunomide" 4634 "Dihydroorotate dehydrogenase (quinone), mitochondrial" "Enzyme" "Q02127" "DHODH" "PYRD_HUMAN" 7.52 "Ki" "Inhibition of human recombinant DHODH" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL973" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL973" "INHIBITOR" "Tclin" "Homo sapiens" +"teriflunomide" 4634 "Dihydroorotate dehydrogenase (quinone), mitochondrial" "Enzyme" "Q63707" "Dhodh" "PYRD_RAT" 8.05 "IC50" "Inhibitory activity against rat dihydroorotate dehydrogenase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL973" "Rattus norvegicus" +"teriflunomide" 4634 "Dihydroorotate dehydrogenase" "Unclassified" "Q54A96" "dhod" "Q54A96_PLAFA" 4.66 "Ki" "Inhibition of ubiquinone binding site of Plasmodium falciparum dihydroorotate dehydrogenase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL973" "Plasmodium falciparum" +"teriflunomide" 4634 "Dihydroorotate dehydrogenase (quinone), mitochondrial" "Enzyme" "O35435" "Dhodh" "PYRD_MOUSE" 7.16 "IC50" "Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL973" "Mus musculus" +"Choline C-11" 4635 "High affinity choline transporter 1" "Unclassified" "Q8BGY9" "Slc5a7" "SC5A7_MOUSE" 6.17 "Ki" "Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2095207" "Mus musculus" +"rose bengal" 4637 "Vesicular acetylcholine transporter" "Transporter" "Q62666" "Slc18a3" "VACHT_RAT" 5.01 "IC50" "Inhibition of VACHT in rat synaptic vesicles assessed as [3H]HT uptake pretreated for 30 mins measured after 10 mins by scintillation spectrophotometer analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1160160" "Rattus norvegicus" +"rose bengal" 4637 "Beta-lactamase" "Enzyme" "P00811" "ampC" "AMPC_ECOLI" 6.33 "IC50" "Inhibitory activity against beta-lactamase in the presence of 5 mM KPi concentration of buffer" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1160160" "Escherichia coli (strain K12)" +"rose bengal" 4637 "Chymotrypsin C" "Enzyme" "Q99895" "CTRC" "CTRC_HUMAN" 4.3 "IC50" "Inhibitory activity against chymotrypsinogen" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1160160" "Tchem" "Homo sapiens" +"rose bengal" 4637 "Beta-galactosidase" "Enzyme" "P16278" "GLB1" "BGAL_HUMAN" 4.1 "IC50" "Inhibition of Beta-galactosidase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1160160" "Tchem" "Homo sapiens" +"levmetamfetamine" 4641 "Trace amine-associated receptor 1" "GPCR" "Q96RJ0" "TAAR1" "TAAR1_HUMAN" 5.48 "EC50" "Activation of C-terminal HA epitope tagged human TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein, Galpha16 by cAMP accumulation assay" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1927030" "http://www.ncbi.nlm.nih.gov/pubmed/22037049" "AGONIST" "Tclin" "Homo sapiens" +"levmetamfetamine" 4641 "Trace amine-associated receptor 1" "GPCR" "Q8HZ64" "TAAR1" "TAAR1_MACMU" 5.6 "EC50" "Activation of rhesus monkey TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein assessed as cAMP accumulation by fluorescence plate reader" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1927030" "Macaca mulatta" +"levmetamfetamine" 4641 "Trace amine-associated receptor 1" "GPCR" "Q923Y9" "Taar1" "TAAR1_RAT" 6.63 "EC50" "Activation of rat wild type TAAR1 expressed in HEK293 cells assessed as stimulation of cAMP production after 1 hr by chemiluminescent assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1927030" "Rattus norvegicus" +"levmetamfetamine" 4641 "Trace amine-associated receptor 1" "GPCR" "Q923Y8" "Taar1" "TAAR1_MOUSE" 6.07 "EC50" "Activation of mouse wild type TAAR1 expressed in HEK293 cells assessed as stimulation of cAMP production after 1 hr by chemiluminescent assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1927030" "Mus musculus" +"dodecanoic acid" 4642 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 4.52 "IC50" "Displacement of [3H]BRL49653 from Homo sapiens (human) PPARgamma receptor by scintillation proximity assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL108766" "Tclin" "Homo sapiens" +"dodecanoic acid" 4642 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 4.52 "IC50" "Displacement of [3H]GW2331 from Homo sapiens (human) PPARalpha receptor by scintillation proximity assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL108766" "Tclin" "Homo sapiens" +"dodecanoic acid" 4642 "Peroxisome proliferator-activated receptor delta" "Nuclear hormone receptor" "Q03181" "PPARD" "PPARD_HUMAN" 4.52 "IC50" "Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scintillation proximity assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL108766" "Tchem" "Homo sapiens" +"fluorometholone acetate" 4647 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.34679985046387 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201064" "AGONIST" "Tclin" "Homo sapiens" +"eugenol" 4648 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 4.96 "IC50" "Inhibition of COX1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42710" "Tclin" "Homo sapiens" +"regorafenib" 4654 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 7.9 "IC50" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=5891" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1946170" "INHIBITOR" "Tclin" "Homo sapiens" +"regorafenib" 4654 "Serine/threonine-protein kinase B-raf" "Kinase" "P15056" "BRAF" "BRAF_HUMAN" 7.55 "IC50" "Inhibition of wild-type B-Raf" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1946170" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1946170" "INHIBITOR" "Tclin" "Homo sapiens" +"regorafenib" 4654 "Bifunctional epoxide hydrolase 2" "Enzyme" "P34913" "EPHX2" "HYES_HUMAN" 9.3 "IC50" "Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carbonate conversion to 6-methoxy-2-naphthaldehyde preincubated for 5 mins prior to substrate addition by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1946170" "INHIBITOR" "Tchem" "Homo sapiens" +"regorafenib" 4654 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 5.73999977111816 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1946170" "Tclin" "Homo sapiens" +"tedisamil" 4655 "Potassium voltage-gated channel subfamily A member 7" "Unclassified" "Q17ST2" "Kcna7" "KCNA7_MOUSE" 4.7 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2567" "BLOCKER" "Mus musculus" +"metamizole" 4659 "Transient receptor potential cation channel subfamily A member 1" "Ion channel" "O75762" "TRPA1" "TRPA1_HUMAN" 4.04095840454102 "IC50" "inhibition of calcium response evoked by the TRPA1 agonist AITC (10uM) in IMR90" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/25765567" "http://www.ncbi.nlm.nih.gov/pubmed/25765567" "BLOCKER" "Tclin" "Homo sapiens" +"methylatropine" 4660 "Muscarinic acetylcholine receptor M3" "GPCR" "P08483" "Chrm3" "ACM3_RAT" 8.59 "Kd" "In vitro receptor binding against Muscarinic acetylcholine receptor M3 in rat submandibular gland was determined using [3H]pirenzepine" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL516476" "Rattus norvegicus" +"methylatropine" 4660 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 8.6 "Kd" "In vitro receptor binding against Muscarinic acetylcholine receptor M1 in rat cerebral cortex was determined using [3H]pirenzepine" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL516476" "Rattus norvegicus" +"methylatropine" 4660 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 8.57 "Kd" "In vitro receptor binding against Muscarinic acetylcholine receptor M2 in rat heart was determined using [3H]pirenzepine" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL516476" "Rattus norvegicus" +"methylatropine" 4660 "Muscarinic acetylcholine receptor DM1" "GPCR" "P16395" "mAChR-A" "ACM1_DROME" 8.62 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL516476" "Drosophila melanogaster" +"benzoin" 4663 "Cocaine esterase" "Enzyme" "O00748" "CES2" "EST2_HUMAN" 5.65 "Ki" "Inhibition constant against human intestinal carboxylesterase (hiCE) expressed in Sf21 cells using 3 mM o-NPA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL190677" "Tchem" "Homo sapiens" +"benzoin" 4663 "Liver carboxylesterase 1" "Enzyme" "P23141" "CES1" "EST1_HUMAN" 5.14 "Ki" "Inhibition constant against human liver carboxylesterase (hCE1) expressed in Sf21 cells using 3 mM o-NPA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL190677" "Tchem" "Homo sapiens" +"benzoic acid" 4664 "Solute carrier family 22 member 20" "Transporter" "Q80UJ1" "Slc22a20" "S22AK_MOUSE" 4.86 "Ki" "Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL541" "Mus musculus" +"benzoic acid" 4664 "D-amino-acid oxidase" "Enzyme" "P14920" "DAO" "OXDA_HUMAN" 5.7 "Ki" "Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serine" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL541" "Tchem" "Homo sapiens" +"benzoic acid" 4664 "glycine" "Amino acid" "alternatives to urea for the excretion of waste nitrogen" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2011/020645s008lbl.pdf" "OTHER" +"betamethasone phosphate" 4667 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.932185489 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"betamethasone phosphate" 4667 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.775725986 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"betamethasone phosphate" 4667 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.865504144 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"betamethasone phosphate" 4667 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.779107751 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"betamethasone phosphate" 4667 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.248105312 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"betamethasone phosphate" 4667 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.428291168 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200762" "AGONIST" "Tclin" "Homo sapiens" +"metizoline" 4671 "Amine oxidase [flavin-containing] B" "Enzyme" "P19643" "Maob" "AOFB_RAT" 5.83 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL266155" "Rattus norvegicus" +"metizoline" 4671 "Amine oxidase [flavin-containing] A" "Enzyme" "P21396" "Maoa" "AOFA_RAT" 4.86 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL266155" "Rattus norvegicus" +"metizoline" 4671 "Nischarin" "Unclassified" "Q4G017" "Nisch" "NISCH_RAT" 8.89 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL266155" "Rattus norvegicus" +"metizoline" 4671 "Nischarin" "Membrane receptor" "Q9Y2I1" "NISCH" "NISCH_HUMAN" 9.2 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL266155" "Tclin" "Homo sapiens" +"nalfurafine" 4673 "Nociceptin receptor" "GPCR" "P41146" "OPRL1" "OPRX_HUMAN" 6.832682665 "Ki" "PDSP" "Tchem" "Homo sapiens" +"nalfurafine" 4673 "Kappa-type opioid receptor" "GPCR" "P41144" "OPRK1" "OPRK_CAVPO" 9.75 "Ki" "Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267495" "Cavia porcellus" +"nalfurafine" 4673 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 9.64 "Ki" "Binding affinity to kappa opioid receptor" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267495" "http://www.ncbi.nlm.nih.gov/pubmed/16251241" "AGONIST" "Tclin" "Homo sapiens" +"nalfurafine" 4673 "Delta-type opioid receptor" "GPCR" "P32300" "Oprd1" "OPRD_MOUSE" 7.29 "Ki" "Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain membranes without cerebellum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267495" "Mus musculus" +"nalfurafine" 4673 "Mu-type opioid receptor" "GPCR" "P97266" "OPRM1" "OPRM_CAVPO" 9.24 "Ki" "Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267495" "Cavia porcellus" +"nalfurafine" 4673 "Mu-type opioid receptor" "GPCR" "P42866" "Oprm1" "OPRM_MOUSE" 9.37 "Ki" "Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain without cerebellum" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267495" "Mus musculus" +"nalfurafine" 4673 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 7.13000011444092 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267495" "Tclin" "Homo sapiens" +"nalfurafine" 4673 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 9.14000034332275 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267495" "Tclin" "Homo sapiens" +"nalfurafine" 4673 "Delta-type opioid receptor" "GPCR" "P33533" "Oprd1" "OPRD_RAT" 9.43 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267495" "Rattus norvegicus" +"nalfurafine" 4673 "Kappa-type opioid receptor" "GPCR" "P33534" "Oprk1" "OPRK_MOUSE" 9.75 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267495" "Mus musculus" +"obidoxime" 4676 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 4.67 "Kd" "Binding affinity to sarin-inhibited hemoglobin free human erythrocyte ghost acetylcholinesterase using acetylthiocholineiodide as substrate measured up to 1 hr by Ellman method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL291233" "Tclin" "Homo sapiens" +"omacetaxine mepesuccinate" 4677 "SARS-CoV-2" "Virus" 5.59 "EC50" "Activity determined against Vero E6 cells" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/32251767" "INHIBITOR" +"oritavancin" 4678 "Staphylococcus aureus subsp. aureus" "Bacteria" 7.46935081481934 "MIC" "as determined by broth microdilution with 0.002% polysorbate-80 during oritavancin dissolution and dilution and in the final assay" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/206334s000lbl.pdf" "MINIMUM INHIBITORY CONCENTRATION" +"oritavancin" 4678 "Streptococcus pneumoniae" "Bacteria" 8.90071487426758 "MIC" "as determined by broth microdilution with 0.002% polysorbate-80 during oritavancin dissolution and dilution and in the final assay" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/206334s000lbl.pdf" "MINIMUM INHIBITORY CONCENTRATION" +"oritavancin" 4678 "Enterococcus faecalis ATCC 29212" "Bacteria" 8.01990127563477 "MIC" "as determined by broth microdilution with 0.002% polysorbate-80 during oritavancin dissolution and dilution and in the final assay" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/206334s000lbl.pdf" "MINIMUM INHIBITORY CONCENTRATION" +"panobinostat" 4682 "Histone deacetylase 10" "Enzyme" "Q969S8" "HDAC10" "HDA10_HUMAN" 7.51 "Ki" "Competitive inhibition of HDAC10 using KI-104 as substrate by fluorescence assay" "CHEMBL" "=" 1 "DRUG LABEL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL483254" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205353s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"panobinostat" 4682 "Histone deacetylase 11" "Enzyme" "Q96DB2" "HDAC11" "HDA11_HUMAN" 8.46 "Ki" "Competitive inhibition of HDAC11 using KI-104 as substrate by fluorescence assay" "CHEMBL" "=" 1 "DRUG LABEL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL483254" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205353s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"panobinostat" 4682 "Histone deacetylase 8" "Enzyme" "Q9BY41" "HDAC8" "HDAC8_HUMAN" 7.66 "Ki" "Competitive inhibition of HDAC8 using KI-104 as substrate by fluorescence assay" "CHEMBL" "=" 1 "DRUG LABEL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL483254" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205353s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"panobinostat" 4682 "Histone deacetylase 9" "Enzyme" "Q9UKV0" "HDAC9" "HDAC9_HUMAN" 8.92 "Ki" "Competitive inhibition of HDAC9 using KI-104 as substrate by fluorescence assay" "CHEMBL" "=" 1 "DRUG LABEL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL483254" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205353s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"panobinostat" 4682 "Histone deacetylase 6" "Enzyme" "Q9UBN7" "HDAC6" "HDAC6_HUMAN" 9.15 "Ki" "Competitive inhibition of HDAC6 using KI-104 as substrate by fluorescence assay" "CHEMBL" "=" 1 "DRUG LABEL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL483254" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205353s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"panobinostat" 4682 "Histone deacetylase 1" "Enzyme" "Q13547" "HDAC1" "HDAC1_HUMAN" 9 "Ki" "Inhibition of human HDAC1" "CHEMBL" "=" 1 "DRUG LABEL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL483254" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205353s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"panobinostat" 4682 "Histone deacetylase 4" "Enzyme" "P56524" "HDAC4" "HDAC4_HUMAN" 9.22 "Ki" "Competitive inhibition of HDAC4 using KI-104 as substrate by fluorescence assay" "CHEMBL" "=" 1 "DRUG LABEL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL483254" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205353s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"panobinostat" 4682 "Histone deacetylase 3" "Enzyme" "O15379" "HDAC3" "HDAC3_HUMAN" 8.96 "Ki" "Inhibition of human HDAC3" "CHEMBL" "=" 1 "DRUG LABEL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL483254" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205353s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"panobinostat" 4682 "Histone deacetylase 2" "Enzyme" "Q92769" "HDAC2" "HDAC2_HUMAN" 9.19 "Ki" "Inhibition of human HDAC2" "CHEMBL" "=" 1 "DRUG LABEL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL483254" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205353s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"panobinostat" 4682 "Histone deacetylase" "Enzyme" "Q9XYC7" "HDAC1" "Q9XYC7_PLAFA" 8.74 "IC50" "Inhibition of Plasmodium falciparum HDAC1 expressed in Drosophila melanogaster S2 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL483254" "Plasmodium falciparum" +"panobinostat" 4682 "Histone deacetylase 5" "Enzyme" "Q9UQL6" "HDAC5" "HDAC5_HUMAN" 9.15 "Ki" "Competitive inhibition of HDAC5 using KI-104 as substrate by fluorescence assay" "CHEMBL" "=" 1 "DRUG LABEL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL483254" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205353s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"panobinostat" 4682 "Histone deacetylase 7" "Enzyme" "Q8WUI4" "HDAC7" "HDAC7_HUMAN" 8.64 "Ki" "Competitive inhibition of HDAC7 using KI-104 as substrate by fluorescence assay" "CHEMBL" "=" 1 "DRUG LABEL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL483254" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205353s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"paraoxon" 4683 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 7.23 "IC50" "Inhibition of esterase activity of human carbonic anhydrase 2 by CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL23838" "Tclin" "Homo sapiens" +"paraoxon" 4683 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 5.99 "IC50" "Inhibition of esterase activity of mouse carbonic anhydrase 13 by CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL23838" "Mus musculus" +"paraoxon" 4683 "Monoglyceride lipase" "Enzyme" "O35678" "Mgll" "MGLL_MOUSE" 5.92 "IC50" "Displacement of 2-arachidonylglycerol from MAGL in Swiss Webster mouse brain after 5 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL23838" "Mus musculus" +"paraoxon" 4683 "Fatty-acid amide hydrolase 1" "Enzyme" "O08914" "Faah" "FAAH1_MOUSE" 6.27 "IC50" "Inhibition of FAAH-mediated [3H]anandamide hydrolysis in mouse brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL23838" "Mus musculus" +"paraoxon" 4683 "Acetylcholinesterase" "Enzyme" "P21836" "Ache" "ACES_MOUSE" 7.89 "IC50" "Displacement of acetylcholine from AChE in Swiss Webster mouse brain after 5 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL23838" "Mus musculus" +"paraoxon" 4683 "Cannabinoid receptor 1" "GPCR" "P47746" "Cnr1" "CNR1_MOUSE" 5.92 "IC50" "Displacement of [3H]CP-55940 from CB1 receptor in mouse brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL23838" "Mus musculus" +"paraoxon" 4683 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 6.47 "IC50" "Inhibition of esterase activity of human carbonic anhydrase 1 by CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL23838" "Tclin" "Homo sapiens" +"perampanel" 4684 "Glutamate receptor ionotropic AMPA" "Ion channel" "P42261|P42262|P42263|P48058" "GRIA1|GRIA2|GRIA3|GRIA4" "GRIA1_HUMAN|GRIA2_HUMAN|GRIA3_HUMAN|GRIA4_HUMAN" 6.61 "IC50" "Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-3 assessed as inhibition of glutamate-induced increase in intracellular calcium levels after 2 mins followed by cyclothiazide/glutamate addition by fluorescence imaging plate reader method" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1214124" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1214124" "ANTAGONIST" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"pleconaril" 4690 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" 6.6 "EC50" "Activation of human PXR expressed in african green monkey CV1 cells transfected with pSG5-hPXRDATG and (ER6)3-tk-CAT reporter" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL29609" "Tchem" "Homo sapiens" +"pleconaril" 4690 "Protease" "Enzyme" "Q4U254" "protease" "Q4U254_9ENTO" 7.24 "EC50" "Inhibition of HRV Protease 3CP (serotype 14)." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL29609" "Human rhinovirus sp" +"remikiren" 4696 "Renin" "Enzyme" "P00797" "REN" "RENI_HUMAN" 9.1549015045166 "IC50" "purified human renin" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/1830563" "http://www.ncbi.nlm.nih.gov/pubmed/1830563" "INHIBITOR" "Tclin" "Homo sapiens" +"esatenolol" 4702 "Beta-1 adrenergic receptor" "GPCR" "B0FL73" "ADRB1" "B0FL73_CAVPO" 7.62 "Kd" "In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea pig atrial preparations" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24" "Cavia porcellus" +"esatenolol" 4702 "Beta-2 adrenergic receptor" "GPCR" "Q8K4Z4" "Adrb2" "ADRB2_CAVPO" 5.93 "Kd" "In vitro beta-2 adrenergic receptor activity was determined by measuring inhibition of the isoproterenol induced relaxation in isolated guinea pig tracheal chains contracted with PGF2-alpha" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24" "Cavia porcellus" +"esatenolol" 4702 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5 "Ki" "Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) receptor assayed by radiolabeled [3H]-8-OH-DPAT ligand displacement" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24" "Rattus norvegicus" +"esatenolol" 4702 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 8.75 "IC50" "Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24" "Tchem" "Homo sapiens" +"esatenolol" 4702 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.82 "Ki" "Binding affinity to human adrenergic beta1 receptor by radioligand displacement assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24" "Tclin" "Homo sapiens" +"esatenolol" 4702 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5 "Ki" "DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24" "Tclin" "Homo sapiens" +"semustine" 4704 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.744004273 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sodium aurothiomalate" 4706 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 6.074172425 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"sodium aurothiomalate" 4706 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.623605558 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sodium aurothiomalate" 4706 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 6.090979146 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"sodium aurothiomalate" 4706 "Thioredoxin reductase 1, cytoplasmic" "Enzyme" "Q16881" "TXNRD1" "TRXR1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"sodium aurothiomalate" 4706 "Cathepsin L1" "Enzyme" "P07711" "CTSL" "CATL1_HUMAN" 4.05 "IC50" "Inhibitory concentration against human liver cathepsin L" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL306043" "Tclin" "Homo sapiens" +"somatorelin" 4710 "Vasoactive intestinal polypeptide receptor 1" "GPCR" "P32241" "VIPR1" "VIPR1_HUMAN" 6.2 "Ki" "inhibition of [125I]-VIP binding to membranes from CHO cells stably expressing the recombinant receptor" "IUPHAR" "=" "AGONIST" "Tbio" "Homo sapiens" +"tofacitinib" 4713 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 8.48148632049561 "IC50" "WOMBAT-PK" "=" "INHIBITOR" "Tclin" "Homo sapiens" +"tofacitinib" 4713 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 5.66 "Kd" "Binding constant for ABL1(T315I)-phosphorylated kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "Tclin" "Homo sapiens" +"tofacitinib" 4713 "Serine/threonine-protein kinase DCLK1" "Kinase" "O15075" "DCLK1" "DCLK1_HUMAN" 5.17 "Kd" "Binding constant for DCAMKL1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "Tchem" "Homo sapiens" +"tofacitinib" 4713 "Calcium/calmodulin-dependent protein kinase type 1" "Kinase" "Q14012" "CAMK1" "KCC1A_HUMAN" 5.92 "Kd" "Binding constant for CAMK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "Tchem" "Homo sapiens" +"tofacitinib" 4713 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 9.24 "Kd" "Binding constant for JAK2(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "INHIBITOR" "Tclin" "Homo sapiens" +"tofacitinib" 4713 "Ribosomal protein S6 kinase alpha-6" "Kinase" "Q9UK32" "RPS6KA6" "KS6A6_HUMAN" 6.27 "Kd" "Binding constant for RSK4(Kin.Dom.2-C-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "Tchem" "Homo sapiens" +"tofacitinib" 4713 "Ribosomal protein S6 kinase alpha-1" "Kinase" "Q15418" "RPS6KA1" "KS6A1_HUMAN" 5.85 "Kd" "Binding constant for RSK1(Kin.Dom.2-C-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "Tchem" "Homo sapiens" +"tofacitinib" 4713 "JAK2/TYK2" "Kinase" "O60674|P29597" "JAK2|TYK2" "JAK2_HUMAN|TYK2_HUMAN" 6.64 "IC50" "Inhibition of JAK2/TYK2 in human whole blood assessed as inhibition of IL-23-induced STAT-3 phosphorylation preincubated for 45 mins followed by IL-23 addition measured after 15 mins by FACS analysis" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"tofacitinib" 4713 "JAK1/JAK2/TYK2" "Kinase" "O60674|P23458|P29597" "JAK1|JAK2|TYK2" "JAK1_HUMAN|JAK2_HUMAN|TYK2_HUMAN" 7.12 "IC50" "Inhibition of JAK1/JAK2/TYK2 in human whole blood assessed as inhibition of IL-6-induced STAT-1 phosphorylation preincubated for 45 mins followed by IL-6 addition measured after 15 mins by FACS analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "INHIBITOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"tofacitinib" 4713 "JAK1/TYK2" "Kinase" "P23458|P29597" "JAK1|TYK2" "JAK1_HUMAN|TYK2_HUMAN" 7.46 "IC50" "Inhibition of JAK1/TYK2 in human whole blood assessed as inhibition of IFN-alpha-induced STAT-3 phosphorylation preincubated for 45 mins followed by IFN-alpha addition measured after 15 mins by FACS analysis" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"tofacitinib" 4713 "Tyrosine-protein kinase JAK1" "Kinase" "P23458" "JAK1" "JAK1_HUMAN" 9.17 "Ki" "Inhibition of human recombinant GST-tagged JAK1 using 5-FAM-KKSRGDYMTMQIG as substrate by peptide mobility shift assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "INHIBITOR" "Tclin" "Homo sapiens" +"tofacitinib" 4713 "G protein-coupled receptor kinase 7" "Kinase" "Q8WTQ7" "GRK7" "GRK7_HUMAN" 5.37 "Kd" "Binding constant for GRK7 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "Tchem" "Homo sapiens" +"tofacitinib" 4713 "Serine/threonine-protein kinase N2" "Kinase" "Q16513" "PKN2" "PKN2_HUMAN" 5.92 "Kd" "Binding constant for PKN2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "Tchem" "Homo sapiens" +"tofacitinib" 4713 "Rho-associated protein kinase 1" "Kinase" "Q13464" "ROCK1" "ROCK1_HUMAN" 6.33 "Kd" "Binding constant for ROCK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "Tclin" "Homo sapiens" +"tofacitinib" 4713 "Leucine-rich repeat serine/threonine-protein kinase 2" "Kinase" "Q5S007" "LRRK2" "LRRK2_HUMAN" 6.26 "Kd" "Binding constant for LRRK2(G2019S) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "Tchem" "Homo sapiens" +"tofacitinib" 4713 "BMP-2-inducible protein kinase" "Kinase" "Q9NSY1" "BMP2K" "BMP2K_HUMAN" 5.15 "Kd" "Binding constant for BIKE kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "Tchem" "Homo sapiens" +"tofacitinib" 4713 "MAP kinase-interacting serine/threonine-protein kinase 2" "Kinase" "Q9HBH9" "MKNK2" "MKNK2_HUMAN" 5.8 "Kd" "Binding constant for MKNK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "Tchem" "Homo sapiens" +"tofacitinib" 4713 "Non-receptor tyrosine-protein kinase TYK2" "Kinase" "P29597" "TYK2" "TYK2_HUMAN" 8.36 "Ki" "Inhibition of human recombinant GST-tagged TYK2 using 5-FAM-KKSRGDYMTMQIG as substrate by peptide mobility shift assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "INHIBITOR" "Tclin" "Homo sapiens" +"tofacitinib" 4713 "Calcium/calmodulin-dependent protein kinase type 1D" "Kinase" "Q8IU85" "CAMK1D" "KCC1D_HUMAN" 5.8 "Kd" "Binding constant for CAMK1D kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "Tchem" "Homo sapiens" +"tofacitinib" 4713 "Serine/threonine-protein kinase 3" "Kinase" "Q13188" "STK3" "STK3_HUMAN" 5.37 "Kd" "Binding affinity to MST2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "Tchem" "Homo sapiens" +"tofacitinib" 4713 "Ribosomal protein S6 kinase alpha-2" "Kinase" "Q15349" "RPS6KA2" "KS6A2_HUMAN" 6.22 "Kd" "Binding constant for RSK3(Kin.Dom.2-C-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "Tchem" "Homo sapiens" +"tofacitinib" 4713 "Calcium/calmodulin-dependent protein kinase type II subunit alpha" "Kinase" "Q9UQM7" "CAMK2A" "KCC2A_HUMAN" 5.46 "Kd" "Binding constant for CAMK2A kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "Tchem" "Homo sapiens" +"tofacitinib" 4713 "Serine/threonine-protein kinase ULK3" "Kinase" "Q6PHR2" "ULK3" "ULK3_HUMAN" 5.19 "Kd" "Binding constant for ULK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "Tchem" "Homo sapiens" +"tofacitinib" 4713 "Serine/threonine-protein kinase PknB" "Kinase" "P9WI81" "pknB" "PKNB_MYCTU" 5.7 "Kd" "Binding constant for PKNB(M.tuberculosis) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"tofacitinib" 4713 "Rho-associated protein kinase 2" "Kinase" "O75116" "ROCK2" "ROCK2_HUMAN" 6.38 "Kd" "Binding constant for ROCK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "Tclin" "Homo sapiens" +"tofacitinib" 4713 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.96 "Kd" "Binding constant for FYN kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "Tclin" "Homo sapiens" +"tofacitinib" 4713 "Protein kinase C delta type" "Kinase" "Q05655" "PRKCD" "KPCD_HUMAN" 5.7 "Kd" "Binding constant for PRKCD kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "Tclin" "Homo sapiens" +"tofacitinib" 4713 "Tyrosine-protein kinase JAK3" "Kinase" "Q62137" "Jak3" "JAK3_MOUSE" 7.32 "IC50" "Inhibition of Jak3-mediated IL2-induced Stat5 phosphorylation in mouse CTLL cells by cell-based assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "Mus musculus" +"tofacitinib" 4713 "Serine/threonine-protein kinase DCLK3" "Kinase" "Q9C098" "DCLK3" "DCLK3_HUMAN" 8.35 "Kd" "Binding affinity to DCamkL3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "Tchem" "Homo sapiens" +"tofacitinib" 4713 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 5.48 "Kd" "Binding constant for RET(M918T) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "Tclin" "Homo sapiens" +"tofacitinib" 4713 "Myotonin-protein kinase" "Kinase" "Q09013" "DMPK" "DMPK_HUMAN" 5.92 "Kd" "Binding constant for DMPK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "Tchem" "Homo sapiens" +"tofacitinib" 4713 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 6.34 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "Tclin" "Homo sapiens" +"tofacitinib" 4713 "NUAK family SNF1-like kinase 2" "Kinase" "Q9H093" "NUAK2" "NUAK2_HUMAN" 6.62 "Kd" "Binding constant for SNARK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "Tchem" "Homo sapiens" +"tofacitinib" 4713 "Tyrosine-protein kinase JAK2" "Kinase" "Q62120" "Jak2" "JAK2_MOUSE" 5.69 "IC50" "Inhibition of JAK2 in C57BL/6 mouse whole blood assessed as inhibition of GM-CSF-stimulated STAT5a phosphorylation after 30 mins by flow cytometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "Mus musculus" +"tofacitinib" 4713 "Calcium/calmodulin-dependent protein kinase type II subunit delta" "Kinase" "Q13557" "CAMK2D" "KCC2D_HUMAN" 5.57 "Kd" "Binding constant for CAMK2D kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "Tchem" "Homo sapiens" +"tofacitinib" 4713 "Serine/threonine-protein kinase N1" "Kinase" "Q16512" "PKN1" "PKN1_HUMAN" 6.77 "Kd" "Binding constant for PKN1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "Tchem" "Homo sapiens" +"tofacitinib" 4713 "Mitogen-activated protein kinase kinase kinase kinase 2" "Kinase" "Q12851" "MAP4K2" "M4K2_HUMAN" 5.32 "Kd" "Binding constant for MAP4K2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "Tchem" "Homo sapiens" +"tofacitinib" 4713 "Non-receptor tyrosine-protein kinase TNK1" "Kinase" "Q13470" "TNK1" "TNK1_HUMAN" 6.92 "Kd" "Binding constant for TNK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "Tchem" "Homo sapiens" +"tofacitinib" 4713 "JAK2/JAK1" "Kinase" "O60674|P23458" "JAK1|JAK2" "JAK1_HUMAN|JAK2_HUMAN" 6.3914737701416 "IC50" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/203214s007lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/203214s007lbl.pdf" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"tofacitinib" 4713 "JAK3/JAK1" "Kinase" "P23458|P52333" "JAK1|JAK3" "JAK1_HUMAN|JAK3_HUMAN" 7.25181198120117 "IC50" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/203214s007lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/203214s007lbl.pdf" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"cabozantinib" 4715 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 10.4559316635132 "IC50" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/203756lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"cabozantinib" 4715 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 8.88605690002441 "IC50" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/203756lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"cabozantinib" 4715 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 8.28399658203125 "IC50" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/203756lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"cabozantinib" 4715 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 7.84466409683228 "IC50" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/203756lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"cabozantinib" 4715 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 7.94692134857178 "IC50" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/203756lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"cabozantinib" 4715 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 8.33724212646484 "IC50" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/203756lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"cabozantinib" 4715 "Macrophage-stimulating protein receptor" "Kinase" "Q04912" "MST1R" "RON_HUMAN" 6.906578540802 "IC50" "WOMBAT-PK" "=" "INHIBITOR" "Tchem" "Homo sapiens" +"ponatinib" 4716 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 9.43179798126221 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1171837" "INHIBITOR" "Tclin" "Homo sapiens" +"ponatinib" 4716 "Tyrosine-protein kinase CSK" "Kinase" "P41240" "CSK" "CSK_HUMAN" 8.26760578155518 "IC50" "WOMBAT-PK" "=" "INHIBITOR" "Tchem" "Homo sapiens" +"ponatinib" 4716 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 9.61978912353516 "IC50" "WOMBAT-PK" "=" "INHIBITOR" "Tclin" "Homo sapiens" +"ponatinib" 4716 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 7.90309000015259 "IC50" "WOMBAT-PK" "=" "INHIBITOR" "Tclin" "Homo sapiens" +"ponatinib" 4716 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 8.82390880584717 "IC50" "WOMBAT-PK" "=" "INHIBITOR" "Tclin" "Homo sapiens" +"ponatinib" 4716 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 8.65757751464844 "IC50" "WOMBAT-PK" "=" "INHIBITOR" "Tclin" "Homo sapiens" +"ponatinib" 4716 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 8.95860767364502 "IC50" "WOMBAT-PK" "=" "INHIBITOR" "Tclin" "Homo sapiens" +"ponatinib" 4716 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 9.52 "IC50" "Inhibition of FLT3 in human MV4-11 cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1171837" "Tclin" "Homo sapiens" +"ponatinib" 4716 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P00523" "SRC" "SRC_CHICK" 9.05 "IC50" "Inhibition of chicken wild-type cSRC (251 to 533)-mediated phosphorylation of biotinylated poly-Glu-Tyr expressed in Escherichia coli BL21(DE3) preincubated for 30 to 60 mins prior to substrate addition by TR-FRET assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1171837" "Gallus gallus" +"ponatinib" 4716 "Breakpoint cluster region protein" "Kinase" "P11274" "BCR" "BCR_HUMAN" "Mechanism of Action; CHEMBL5146; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1171837" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1171837" "INHIBITOR" "Tclin" "Homo sapiens" +"ponatinib" 4716 "Bcr/Abl fusion protein" "Kinase" "P00519|P11274" "ABL1|BCR" "ABL1_HUMAN|BCR_HUMAN" 9.30000019073486 "IC50" "Inhibition of BCR/ABL (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1171837" "Tclin|Tclin" "Homo sapiens" +"ponatinib" 4716 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 7.59000015258789 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1171837" "Tclin" "Homo sapiens" +"ponatinib" 4716 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 8.52000045776367 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1171837" "Tclin" "Homo sapiens" +"ponatinib" 4716 "Cyclin-dependent kinase 8" "Kinase" "P49336" "CDK8" "CDK8_HUMAN" 8.17 "Kd" "CDK8/cyclin C." "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=5890" "INHIBITOR" "Tchem" "Homo sapiens" +"ponatinib" 4716 "Cyclin-dependent kinase 19" "Kinase" "Q9BWU1" "CDK19" "CDK19_HUMAN" 7.92 "Kd" "CDK19/cyclin C." "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=5890" "INHIBITOR" "Tchem" "Homo sapiens" +"teduglutide" 4718 "Glucagon-like peptide 2 receptor" "GPCR" "O95838" "GLP2R" "GLP2R_HUMAN" 10.05 "EC50" "Agonist activity at human GLP2R expressed in HEK293 cells after 5 hrs by luciferase reporter gene assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104987" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104987" "AGONIST" "Tclin" "Homo sapiens" +"daunorubicinol" 4719 "Multidrug resistance-associated protein 6" "Transporter" "O95255" "ABCC6" "MRP6_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" +"daunorubicinol" 4719 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"daunorubicinol" 4719 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"daunorubicinol" 4719 "DNA topoisomerase 2-alpha" "Enzyme" "P11388" "TOP2A" "TOP2A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" +"daunorubicinol" 4719 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" +"lomitapide" 4721 "Microsomal triglyceride transfer protein large subunit" "Cytosolic other" "P55157" "MTTP" "MTP_HUMAN" 8.09691 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL354541" "INHIBITOR" "Tclin" "Homo sapiens" +"tacalcitol" 4727 "Vitamin D3 receptor" "Nuclear hormone receptor" "P11473" "VDR" "VDR_HUMAN" 8.5 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2780" "AGONIST" "Tclin" "Homo sapiens" +"tenidap" 4728 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.573488739 "IC50" "DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tenidap" 4728 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 7.259637311 "IC50" "DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"tenidap" 4728 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 6.15490196 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"tenidap" 4728 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"tenidap" 4728 "Inward rectifier potassium channel 4" "Ion channel" "P48050" "KCNJ4" "KCNJ4_HUMAN" 6.4 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2395" "ACTIVATOR" "Tchem" "Homo sapiens" +"tenidap" 4728 "Prostaglandin G/H synthase 1" "Enzyme" "O97554" "PTGS1" "PGH1_RABIT" 5.59 "IC50" "Inhibition of COX-1 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs by HPLC in presence of calcium ionophore A23187" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1908355" "Oryctolagus cuniculus" +"tenidap" 4728 "Prostaglandin G/H synthase 2" "Enzyme" "O02768" "PTGS2" "PGH2_RABIT" 5.08 "IC50" "Inhibition of COX-2 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs in by HPLC presence of calcium ionophore A23188 and lipopolysaccharide" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1908355" "Oryctolagus cuniculus" +"tenidap" 4728 "Arachidonate 5-lipoxygenase" "Enzyme" "P12527" "Alox5" "LOX5_RAT" 5.05 "IC50" "In vitro inhibition of 5-lipoxygenase pathway in rat basophilic leukemia (RBL-1) cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1908355" "Rattus norvegicus" +"tenidap" 4728 "Cyclooxygenase" "Enzyme" "P35355|Q63921" "Ptgs1|Ptgs2" "PGH1_RAT|PGH2_RAT" 8 "IC50" "In vitro inhibition of Prostaglandin G/H synthase pathway in rat basophilic leukemia (RBL-1) cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1908355" "Rattus norvegicus" +"thiocolchicoside" 4731 "GABA A receptor alpha-2/beta-2/gamma-2" "Ion channel" "P18507|P47869|P47870" "GABRA2|GABRB2|GABRG2" "GBRA2_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 6.88605642318726 "IC50" "inhibition of GABA-induced Cl- current in human GABAA receptor expressed in Xenopus oocytes" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/17234181" "NEGATIVE MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"thiocolchicoside" 4731 "GABA A receptor alpha-1/beta-1/gamma-2" "Ion channel" "P14867|P18505|P18507" "GABRA1|GABRB1|GABRG2" "GBRA1_HUMAN|GBRB1_HUMAN|GBRG2_HUMAN" 6.82390880584717 "IC50" "inhibition of GABA-induced Cl- current in human GABAA receptor expressed in Xenopus oocytes" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/17234181" "NEGATIVE MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"thiocolchicoside" 4731 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 6.69896984100342 "IC50" "inhibition of GABA-induced Cl- current in human GABAA receptor expressed in Xenopus oocytes" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/17234181" "NEGATIVE MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"thiocolchicoside" 4731 "GABA-A receptor; anion channel" "Ion channel" "O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14" "Gabra1|Gabra2|Gabra3|Gabra4|Gabra5|Gabra6|Gabrb1|Gabrb2|Gabrb3|Gabrd|Gabre|Gabrg1|Gabrg2|Gabrg3|Gabrp|Gabrq" "GBRA1_RAT|GBRA2_RAT|GBRA3_RAT|GBRA4_RAT|GBRA5_RAT|GBRA6_RAT|GBRB1_RAT|GBRB2_RAT|GBRB3_RAT|GBRD_RAT|GBRE_RAT|GBRG1_RAT|GBRG2_RAT|GBRG3_RAT|GBRP_RAT|Q91ZM7_RAT" 5.72 "IC50" "Displacement of [3H]muscimol from GABA-A receptor in Sprague-Dawley rat spinal cord" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1705373" "Rattus norvegicus" +"thioctic acid" 4732 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 9 "IC50" "Inhibition of human AchE" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL33864" "Tclin" "Homo sapiens" +"thioctic acid" 4732 "SUMO-activating enzyme" "Enzyme" "Q9UBE0|Q9UBT2" "SAE1|UBA2" "SAE1_HUMAN|SAE2_HUMAN" 5.32000017166138 "IC50" "PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2011, AID2018, AID2069, AID2614, AID2658]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL33864" "Tbio|Tbio" "Homo sapiens" +"thioctic acid" 4732 "Bifunctional protein GlmU" "Unclassified" "P9WMN3" "glmU" "GLMU_MYCTU" 5.41 "IC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL33864" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"thiomersal" 4733 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.698970004 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"thiomersal" 4733 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.970616222 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"thiomersal" 4733 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.034798299 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"thiomersal" 4733 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.559720787 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"thiomersal" 4733 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.070581074 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"thiomersal" 4733 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.537602002 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"thiomersal" 4733 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.135488919 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"thiomersal" 4733 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.522878745 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"thiomersal" 4733 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.718058067 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"thiomersal" 4733 "Mitogen-activated protein kinase 3" "Kinase" "P27361" "MAPK3" "MK03_HUMAN" 6.111259039 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"thiomersal" 4733 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.16 "Ki" "Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL508338" "Tclin" "Homo sapiens" +"thiomersal" 4733 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.25 "Ki" "Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL508338" "Tclin" "Homo sapiens" +"thiomersal" 4733 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 5.16 "Ki" "Inhibition of human recombinant carbonic anhydrase 13 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL508338" "Tclin" "Homo sapiens" +"thiomersal" 4733 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 5.2 "Ki" "Inhibition of human recombinant carbonic anhydrase 3 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL508338" "Tclin" "Homo sapiens" +"thiomersal" 4733 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 5.14 "Ki" "Inhibition of human recombinant carbonic anhydrase 5A preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL508338" "Tclin" "Homo sapiens" +"thiomersal" 4733 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 5.18 "Ki" "Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL508338" "Tclin" "Homo sapiens" +"thiomersal" 4733 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 4.96 "Ki" "Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL508338" "Tclin" "Homo sapiens" +"thiomersal" 4733 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 5.23 "Ki" "Inhibition of human recombinant carbonic anhydrase 5B preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL508338" "Tclin" "Homo sapiens" +"thiomersal" 4733 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 5.29 "Ki" "Inhibition of human recombinant carbonic anhydrase 6 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL508338" "Tclin" "Homo sapiens" +"thiomersal" 4733 "Toll-like receptor 9" "Membrane receptor" "Q9NR96" "TLR9" "TLR9_HUMAN" 5.19999980926514 "IC50" "PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for inhibitors of TLR9-MyD88 binding. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504734, AID504750, AID540250, AID540251]" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL508338" "Tclin" "Homo sapiens" +"thiomersal" 4733 "Beta-lactamase" "Unclassified" "Q932Y6" "bla(tem-2)" "Q932Y6_PSEAI" 4.77 "IC50" "inactive" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL508338" "Pseudomonas aeruginosa" +"bedaquiline" 4741 "ATP synthase" "Enzyme" "P9WPS1|P9WPU5|P9WPU7|P9WPU9|P9WPV1|P9WPV3|P9WPV5|P9WPV7" "atpA|atpB|atpC|atpD|atpE|atpF|atpFH|atpG" "ATP6_MYCTU|ATPA_MYCTU|ATPB_MYCTU|ATPE_MYCTU|ATPFD_MYCTU|ATPF_MYCTU|ATPG_MYCTU|ATPL_MYCTU" "Mechanism of Action; CHEMBL2364166; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL376488" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL376488" "INHIBITOR" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"bedaquiline" 4741 "ATP synthase subunit c" "Unclassified" "Q5TIX5" "atpE" "Q5TIX5_MYCSM" 8.6 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL376488" "Mycobacterium smegmatis" +"crofelemer" 4744 "Cystic fibrosis transmembrane conductance regulator" "Ion channel" "P13569" "CFTR" "CFTR_HUMAN" 5.15490198135376 "IC50" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/202292s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"crofelemer" 4744 "Anoctamin-1" "Ion channel" "Q5XXA6" "ANO1" "ANO1_HUMAN" 5.18708658218384 "IC50" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/202292s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"glycerol phenylbutyrate" 4745 "glutamine" "Amino acid" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/203284s001lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/203284s001lbl.pdf" "OTHER" +"pomalidomide" 4746 "Protein cereblon" "Cytosolic other" "Q96SW2" "CRBN" "CRBN_HUMAN" 6.57708215713501 "EC50" "competitive titration of thalidomide with human DDB1-human CRBN (50 nM) and Cy5-thalidomide (20 nM)" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/25043012" "http://www.ncbi.nlm.nih.gov/pubmed/26131937" "MODULATOR" "Tclin" "Homo sapiens" +"mipomersen" 4747 "RNA" "RNA" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/203568s004lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/203568s004lbl.pdf" "ANTISENSE INHIBITOR" +"ospemifene" 4749 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 6.0824943 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2105395" "MODULATOR" "Tclin" "Homo sapiens" +"levobetaxolol" 4752 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 9.1 "Ki" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=8035" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200837" "ANTAGONIST" "Tclin" "Homo sapiens" +"levobetaxolol" 4752 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 7.49 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=8035" "ANTAGONIST" "Tclin" "Homo sapiens" +"dimethyl fumarate" 4757 "Kelch-like ECH-associated protein 1" "Cytosolic other" "Q14145" "KEAP1" "KEAP1_HUMAN" "Mechanism of Action; CHEMBL2069156; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL589586" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL589586" "INHIBITOR" "Tclin" "Homo sapiens" +"dimethyl fumarate" 4757 "Hydroxycarboxylic acid receptor 2" "GPCR" "Q8TDS4" "HCAR2" "HCAR2_HUMAN" 6.73999977111816 "Ki" "Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in human HEK293T cells by liquid scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL589586" "Tclin" "Homo sapiens" +"canagliflozin" 4758 "Sodium/glucose cotransporter 2" "Transporter" "P31639" "SLC5A2" "SC5A2_HUMAN" 8.6575775 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2048484" "INHIBITOR" "Tclin" "Homo sapiens" +"canagliflozin" 4758 "Sodium/glucose cotransporter 1" "Transporter" "P13866" "SLC5A1" "SC5A1_HUMAN" 5.72 "IC50" "Inhibition of human SGLT1 expressed in CHO-K1 cells by [14C]AMG uptake assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2048484" "Tclin" "Homo sapiens" +"canagliflozin" 4758 "Protease" "Enzyme" "Q9YQ12" "protease" "Q9YQ12_9HIV1" 6.2 "Ki" "Inhibition of HIV1 recombinant protease using Lys-Ala-Arg-Val-Nle-Nph-Glu-Ala-Nle-NH2 as substrate by spectrophotometric analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2048484" "Human immunodeficiency virus 1" +"ethyl hydroxybenzoate" 4773 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.32 "Ki" "Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15841" "Tclin" "Homo sapiens" +"ethyl hydroxybenzoate" 4773 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 4.42 "EC50" "Agonist activity at human estrogen receptor-alpha by yeast two-hybrid assay in presence of SRC1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15841" "Tclin" "Homo sapiens" +"ethyl hydroxybenzoate" 4773 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 5.73 "EC50" "Agonist activity at human estrogen receptor-beta by yeast two-hybrid assay in presence of SRC1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15841" "Tclin" "Homo sapiens" +"ethyl hydroxybenzoate" 4773 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.07 "Ki" "Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15841" "Tclin" "Homo sapiens" +"ethyl hydroxybenzoate" 4773 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 5.11 "Ki" "Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15841" "Tclin" "Homo sapiens" +"ethyl hydroxybenzoate" 4773 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 5.06 "Ki" "Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15841" "Tclin" "Homo sapiens" +"ethyl hydroxybenzoate" 4773 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 5.09 "Ki" "Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15841" "Tclin" "Homo sapiens" +"ethyl hydroxybenzoate" 4773 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5.1 "Ki" "Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15841" "Tclin" "Homo sapiens" +"ridaforolimus" 4778 "Serine/threonine-protein kinase mTOR" "Kinase" "P42345" "MTOR" "MTOR_HUMAN" 9.69896984100342 "IC50" "Measured as dose-dependent inhibition of phosphorylation of ribosomal protein S6, a signaling protein downstream of mTOR" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/21482695" "http://www.ncbi.nlm.nih.gov/pubmed/21482695" "INHIBITOR" "Tclin" "Homo sapiens" +"gramicidin" 4794 "Endothelin-1 receptor" "GPCR" "P25101" "EDNRA" "EDNRA_HUMAN" 5.736363931 "Ki" "DRUGMATRIX: Endothelin ETA radioligand binding (ligand: [125I] Endothelin-1)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"gramicidin" 4794 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 5.960982678 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"gramicidin" 4794 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.477425367 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"gramicidin" 4794 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 6.111259039 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"gramicidin" 4794 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.817870786 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"gramicidin" 4794 "Sodium/potassium-transporting ATPase subunit alpha-2" "Ion channel" "D2WKD8" "ATP1A2" "AT1A2_PIG" 5.288783476 "IC50" "DRUGMATRIX: ATPase, Na+/K+ enzyme inhibition (substrate: ATP)" "DRUG MATRIX" "=" "Sus scrofa" +"gramicidin" 4794 "Melanocortin receptor 4" "GPCR" "P32245" "MC4R" "MC4R_HUMAN" 5.496754229 "Ki" "DRUGMATRIX: Melanocortin MC4 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" +"gramicidin" 4794 "Melanocortin receptor 5" "GPCR" "P33032" "MC5R" "MC5R_HUMAN" 5.72399801 "Ki" "DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" +"gramicidin" 4794 "Bacterial cell membrane" "Cell membrane" "UNKNOWN" 1 "DRUG LABEL" "https://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=b7aa0bae-255b-4792-a963-6606370a175f" "MEMBRANE PERMEABILIZER" +"sodium propionate" 4796 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 4.29 "Ki" "Inhibition of Candida albicans Nce103" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL500826" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"sodium nitrite" 4797 "heme iron" "Inorganic material" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2011/201444s000lbl.pdf" "OTHER" +"sodium nitrite" 4797 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 1.2 "Ki" "Inhibitory activity against human carbonic anhydrase II expressed in Escherichia coli" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL93268" "Tclin" "Homo sapiens" +"sodium nitrite" 4797 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 1.9 "Ki" "Inhibitory activity against mouse carbonic anhydrase XIII expressed in Escherichia coli TOP 10" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL93268" "Mus musculus" +"sodium nitrite" 4797 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 2.08 "Ki" "Inhibitory activity against human carbonic anhydrase I expressed in Escherichia coli" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL93268" "Tclin" "Homo sapiens" +"vilanterol" 4799 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 9.4 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1084172" "AGONIST" "Tclin" "Homo sapiens" +"vilanterol" 4799 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 6.1 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"vilanterol" 4799 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.4 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" +"dabrafenib" 4801 "Serine/threonine-protein kinase B-raf" "Kinase" "P15056" "BRAF" "BRAF_HUMAN" 9.1549015 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2028663" "INHIBITOR" "Tclin" "Homo sapiens" +"dabrafenib" 4801 "TGF-beta receptor type-1" "Kinase" "P36897" "TGFBR1" "TGFR1_HUMAN" 5.43 "IC50" "Inhibition of Alk5 in TGF-beta-stimulated human HepG2 cells assessed as decrease in Smad2 phosphorylation treated for 45 mins prior to TGF-beta stimulation measured after 60 mins by odyssey blot scanner analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2028663" "Tchem" "Homo sapiens" +"dabrafenib" 4801 "RAF proto-oncogene serine/threonine-protein kinase" "Kinase" "P04049" "RAF1" "RAF1_HUMAN" 6.82 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2028663" "Tclin" "Homo sapiens" +"dabrafenib" 4801 "Serine/threonine-protein kinase A-Raf" "Kinase" "P10398" "ARAF" "ARAF_HUMAN" 7.59 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2028663" "Homo sapiens" +"trametinib" 4802 "Dual specificity mitogen-activated protein kinase kinase 2" "Kinase" "P36507" "MAP2K2" "MP2K2_HUMAN" 9.036212 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2103875" "INHIBITOR" "Tclin" "Homo sapiens" +"trametinib" 4802 "Dual specificity mitogen-activated protein kinase kinase 1" "Kinase" "Q02750" "MAP2K1" "MP2K1_HUMAN" 8.744727 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2103875" "INHIBITOR" "Tclin" "Homo sapiens" +"palifermin" 4804 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125103s146lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"dolutegravir" 4805 "Sigma non-opioid intracellular receptor 1" "Membrane other" "Q60492" "SIGMAR1" "SGMR1_CAVPO" 7.15 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1213165" "Cavia porcellus" +"dolutegravir" 4805 "Integrase" "Enzyme" "Q7ZJM1" "pol" "Q7ZJM1_9HIV1" 8.130768 "IC50" "HIV-1 integrase catalyzed strand transfer" "SCIENTIFIC LITERATURE" "=" 1 "CHEMBL" "http://www.ncbi.nlm.nih.gov/pubmed/27645238" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1213165" "INHIBITOR" "Human immunodeficiency virus 1" +"vortioxetine" 4806 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 8.43179798126221 "Ki" "antagonist" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/22171087" "http://www.ncbi.nlm.nih.gov/pubmed/21486038" "ANTAGONIST" "Tclin" "Homo sapiens" +"vortioxetine" 4806 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 7.72124624252319 "Ki" "antagonist" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/22171087" "http://www.ncbi.nlm.nih.gov/pubmed/21486038" "ANTAGONIST" "Tclin" "Homo sapiens" +"vortioxetine" 4806 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.48148584365845 "Ki" "partial agonist" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/22171087" "http://www.ncbi.nlm.nih.gov/pubmed/21486038" "AGONIST" "Tclin" "Homo sapiens" +"vortioxetine" 4806 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.82390880584717 "Ki" "agonist" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/22171087" "http://www.ncbi.nlm.nih.gov/pubmed/21486038" "AGONIST" "Tclin" "Homo sapiens" +"vortioxetine" 4806 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 8.79588031768799 "Ki" "inhibitor" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/22171087" "http://www.ncbi.nlm.nih.gov/pubmed/21486038" "INHIBITOR" "Tclin" "Homo sapiens" +"vortioxetine" 4806 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 6.69896984100342 "Ki" "antagonist" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/22171087" "Rattus norvegicus" +"vortioxetine" 4806 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 7.26760625839233 "Ki" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/204447s004lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/204447s004lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"vortioxetine" 4806 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.25 "Ki" "Binding affinity to human beta 2 adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104993" "Tclin" "Homo sapiens" +"vortioxetine" 4806 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 7.34 "Ki" "Binding affinity to human beta 1 adrenergic receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104993" "Tclin" "Homo sapiens" +"vortioxetine" 4806 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 6.05 "IC50" "Inhibition of DAT-mediated [3H]DA in rat synaptosomes by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104993" "Rattus norvegicus" +"vortioxetine" 4806 "5-hydroxytryptamine receptor 3A" "Ion channel" "P35563" "Htr3a" "5HT3A_RAT" 6.64 "Ki" "Binding affinity to rat 5HT3A receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104993" "Rattus norvegicus" +"vortioxetine" 4806 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.74 "Ki" "Binding affinity to human histamine H2 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104993" "Tclin" "Homo sapiens" +"vortioxetine" 4806 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.74 "Ki" "Binding affinity to human 5HT2C receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104993" "Tclin" "Homo sapiens" +"vortioxetine" 4806 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.74 "Ki" "Binding affinity to human 5HT2A receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104993" "Tclin" "Homo sapiens" +"vortioxetine" 4806 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.74 "Ki" "Binding affinity to human histamine H1 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104993" "Tclin" "Homo sapiens" +"vortioxetine" 4806 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 8.28 "IC50" "Inhibition of SERT-mediated [3H]5HT uptake in rat synaptosomes by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104993" "Rattus norvegicus" +"vortioxetine" 4806 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 6.66 "Ki" "Binding affinity to human 5HT5A receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104993" "Tchem" "Homo sapiens" +"vortioxetine" 4806 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.48 "Ki" "Binding affinity to human 5HT6 receptor" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104993" "Tchem" "Homo sapiens" +"vortioxetine" 4806 "5-hydroxytryptamine receptor 1D" "GPCR" "P28565" "Htr1d" "5HT1D_RAT" 5.4 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7351" "ANTAGONIST" "Rattus norvegicus" +"riociguat" 4807 "Guanylate cyclase soluble subunit beta-1" "Enzyme" "Q02153" "GUCY1B3" "GCYB1_HUMAN" 7.52287864685059 "MEC" "minimal effective concentration to achieve threefold stimulation of cGMP formation in a recombinant sGC-overexpressing cell line" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/19263460" "http://www.ncbi.nlm.nih.gov/pubmed/19263460" "POSITIVE ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"riociguat" 4807 "cAMP-specific 3',5'-cyclic phosphodiesterase 7B" "Enzyme" "Q9NP56" "PDE7B" "PDE7B_HUMAN" 5.53760194778442 "IC50" "radioligand binding" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/19263460" "Tclin" "Homo sapiens" +"ipidacrine" 4808 "Acetylcholinesterase" "Enzyme" "P37136" "Ache" "ACES_RAT" 6.56863641738892 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/11256231" "Rattus norvegicus" +"ipidacrine" 4808 "Butyrylcholinesterase; Protein Bche" "Enzyme" "Q9JKC1" "Bche" "Q9JKC1_RAT" 6.65757751464844 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/11256231" "Rattus norvegicus" +"ipidacrine" 4808 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 6.18 "IC50" "In vitro inhibition of acetylcholinesterase isolated from human erythrocytes." "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL130880" "Tclin" "Homo sapiens" +"ipidacrine" 4808 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 6.77 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL130880" "Electrophorus electricus" +"ipidacrine" 4808 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 7.15 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL130880" "Equus caballus" +"macitentan" 4809 "Endothelin-1 receptor" "GPCR" "P25101" "EDNRA" "EDNRA_HUMAN" 9.30103015899658 "IC50" "IC50 value as determined in binding assays using membranes of Chinese hamster ovary (CHO) cells containing recombinant ETA" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/22862294" "http://www.ncbi.nlm.nih.gov/pubmed/22862294" "ANTAGONIST" "Tclin" "Homo sapiens" +"macitentan" 4809 "Endothelin B receptor" "GPCR" "P24530" "EDNRB" "EDNRB_HUMAN" 6.40782308578491 "IC50" "IC50 value as determined in binding assays using membranes of Chinese hamster ovary (CHO) cells containing recombinant ETB" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/22862294" "http://www.ncbi.nlm.nih.gov/pubmed/22862294" "ANTAGONIST" "Tclin" "Homo sapiens" +"ibrutinib" 4810 "Tyrosine-protein kinase BTK" "Kinase" "Q06187" "BTK" "BTK_HUMAN" 9.14266777038574 "Ki" "measured in anti-IgM stimulated Ramos human B cell line" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/17154430" "http://www.ncbi.nlm.nih.gov/pubmed/17154430" "INHIBITOR" "Tclin" "Homo sapiens" +"ibrutinib" 4810 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 7.85387182235718 "Ki" "measured in anti-IgM stimulated Ramos human B cell line" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/17154430" "Tclin" "Homo sapiens" +"ibrutinib" 4810 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 8.25 "IC50" "Inhibition of ErbB1 relative to control" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1873475" "Tclin" "Homo sapiens" +"ibrutinib" 4810 "Cytoplasmic tyrosine-protein kinase BMX" "Kinase" "P51813" "BMX" "BMX_HUMAN" 9.1 "IC50" "Inhibition of BMX" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1873475" "Tchem" "Homo sapiens" +"ibrutinib" 4810 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 7.43 "IC50" "Inhibition of RET" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1873475" "Tclin" "Homo sapiens" +"ibrutinib" 4810 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" 6.55 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1873475" "Tclin" "Homo sapiens" +"ibrutinib" 4810 "Tyrosine-protein kinase Blk" "Kinase" "P51451" "BLK" "BLK_HUMAN" 10 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/26641137" "INHIBITOR" "Tchem" "Homo sapiens" +"ibrutinib" 4810 "Tyrosine-protein kinase Fgr" "Kinase" "P09769" "FGR" "FGR_HUMAN" 8.481486 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/26641137" "INHIBITOR" "Tchem" "Homo sapiens" +"ibrutinib" 4810 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 7.537602 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/26641137" "INHIBITOR" "Tclin" "Homo sapiens" +"ibrutinib" 4810 "Tyrosine-protein kinase HCK" "Kinase" "P08631" "HCK" "HCK_HUMAN" 7.537602 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/26641137" "INHIBITOR" "Tclin" "Homo sapiens" +"ibrutinib" 4810 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 8.200659 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/26641137" "INHIBITOR" "Tclin" "Homo sapiens" +"ibrutinib" 4810 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 7.721246 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/26641137" "INHIBITOR" "Tclin" "Homo sapiens" +"ibrutinib" 4810 "Tyrosine-protein kinase Yes" "Kinase" "P07947" "YES1" "YES_HUMAN" 8.387216 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/26641137" "INHIBITOR" "Tclin" "Homo sapiens" +"ibrutinib" 4810 "Tyrosine-protein kinase ITK/TSK" "Kinase" "Q08881" "ITK" "ITK_HUMAN" 8.309804 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/26641137" "INHIBITOR" "Tclin" "Homo sapiens" +"ibrutinib" 4810 "Tyrosine-protein kinase Tec" "Kinase" "P42680" "TEC" "TEC_HUMAN" 8.154902 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/26641137" "INHIBITOR" "Tchem" "Homo sapiens" +"ibrutinib" 4810 "Tyrosine-protein kinase TXK" "Kinase" "P42681" "TXK" "TXK_HUMAN" 8.69897 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/26641137" "INHIBITOR" "Tchem" "Homo sapiens" +"ibrutinib" 4810 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 8.19382 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/26641137" "INHIBITOR" "Tclin" "Homo sapiens" +"ibrutinib" 4810 "Receptor tyrosine-protein kinase erbB-4" "Kinase" "Q15303" "ERBB4" "ERBB4_HUMAN" 8.468521 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/26641137" "INHIBITOR" "Tclin" "Homo sapiens" +"ibrutinib" 4810 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 7.49485 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/26641137" "INHIBITOR" "Tclin" "Homo sapiens" +"sofosbuvir" 4811 "Genome polyprotein" "Polyprotein" "P27958" "POLG_HCVH" 6.95860719680786 "EC90" "ET-lunet cells; S96T mutant" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/20845908" "http://www.ncbi.nlm.nih.gov/pubmed/20845908" "INHIBITOR" "Hepatitis C virus genotype 1a (isolate H)" +"sofosbuvir" 4811 "NS5B protein" "Enzyme" "Q8JXU8" "NS5B" "Q8JXU8_9HEPC" "Mechanism of Action; CHEMBL5375; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1259059" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1259059" "INHIBITOR" "Hepatitis C virus" +"simeprevir" 4812 "Genome polyprotein" "Polyprotein" "P27958" "POLG_HCVH" 9.44369792938232 "Ki" "inhibition of the full-length HCV NS3/4A protease" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/18678486" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205123s008lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 1a (isolate H)" +"simeprevir" 4812 "Cathepsin S" "Enzyme" "P25774" "CTSS" "CATS_HUMAN" 6.1 "IC50" "Inhibition of human cathepsin S in human JY cells assessed as p10 accumulation by fluorescence-based assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL501849" "Tchem" "Homo sapiens" +"simeprevir" 4812 "Hepatitis C virus serine protease, NS3/NS4A" "Enzyme" "A3EZI9|D2K2A8" "NS3|NS4A" "A3EZI9_9HEPC|D2K2A8_9HEPC" 9.3 "Ki" "BindingDB_Patents: Inhibition Assay. The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification 25 363 371. Briefly, the hydrolysis of a depsipeptide substrate, Ac-DED(Edans)EEAbu[COO]ASK(Dabcyl)-NH2 (AnaSpec, San Jose, USA), was measured spectrofluorometrically in the presence of a peptide cofactor, KKGSVVIVGRIVLSGK (Ake Engstrom, Department of Medical Biochemistry and Microbiology, Uppsala University, Sweden). [Landro, 1997 #Biochem 36 9340-9348]. The enzyme (1 nM) was incubated in 50 mM HEPES, pH 7.5, 10 mM DTT, 40% glycerol, 0.1% n-octyl-D-glucoside, with 25 µM NS4A cofactor and inhibitor at 30 C. for 10 min, whereupon the reaction was initiated by addition of 0.5 µM substrate. Inhibitors were dissolved in DMSO, sonicated for 30 sec. and vortexed." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL501849" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL501849" "INHIBITOR" "Hepatitis C virus" +"simeprevir" 4812 "Nonstructural protein NS3-4A" "Unclassified" "A0A0K1CY61" "A0A0K1CY61_9HEPC" 9.44 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL501849" "Hepatitis C virus" +"simeprevir" 4812 "Polyprotein" "Polyprotein" "Q6GYR8" "Q6GYR8_9HEPC" 9.44 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7367" "INHIBITOR" "Hepacivirus C" +"luliconazole" 4813 "Candida albicans" "Fungi" 7.05798149108887 "MIC" "in vitro antifungal activities against stock cultures of Candida albicans" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/10461840" +"luliconazole" 4813 "Aspergillus fumigatus" "Fungi" 9.05798149108887 "MIC" "in vitro antifungal activities against stock cultures of Aspergillus fumigatus" "SCIENTIFIC LITERATURE" "<=" "http://www.ncbi.nlm.nih.gov/pubmed/10461840" +"luliconazole" 4813 "Trichophyton mentagrophytes" "Fungi" 8.15140247344971 "MIC" "in vitro antifungal activities against stock cultures of T. mentagrophytes" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/9559824" +"luliconazole" 4813 "Trichophyton rubrum" "Fungi" 8.75000286102295 "MIC" "in vitro antifungal activities against stock cultures of T. rubrum" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/9559824" +"luliconazole" 4813 "Lanosterol 14-alpha demethylase" "Enzyme" "P10613" "ERG11" "CP51_CANAL" "Mechanism of Action; CHEMBL1780; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2105689" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2105689" "INHIBITOR" "Candida albicans (strain SC5314 / ATCC MYA-2876)" +"olodaterol" 4814 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 7.32999992370606 "Ki" "competitive binding experiments against [3H]CGP 12177 in the presence of 5'-guanylyl-imidodiphosphate" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/20371707" "Tclin" "Homo sapiens" +"olodaterol" 4814 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 9.14000034332275 "Ki" "competitive binding experiments against [3H]CGP 12177 in the presence of 5'-guanylyl-imidodiphosphate" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/20371707" "http://www.ncbi.nlm.nih.gov/pubmed/20371707" "ANTAGONIST" "Tclin" "Homo sapiens" +"olodaterol" 4814 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.26000022888184 "Ki" "competitive binding experiments against [3H]CGP 12177 in the presence of 5'-guanylyl-imidodiphosphate" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/20371707" "Tclin" "Homo sapiens" +"lixisenatide" 4815 "Glucagon-like peptide 1 receptor" "GPCR" "P43220" "GLP1R" "GLP1R_HUMAN" 8.84466361999512 "IC50" "CHO cells transfected with the human GLP-1 receptor binding affinity" "SCIENTIFIC LITERATURE" "=" 1 "IUPHAR" "http://www.ncbi.nlm.nih.gov/pubmed/18417092" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7387" "AGONIST" "Tclin" "Homo sapiens" +"umeclidinium" 4816 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 10.221848487854 "Ki" "radioligand binding assays in CHO cells expressing human M1, M2, or M3 receptors in a scintillation proximity assay with 0.5 nM [3H]-N-methyl scopolamine as the ligand" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/19317446" "http://www.ncbi.nlm.nih.gov/pubmed/19317446" "ANTAGONIST" "Tclin" "Homo sapiens" +"umeclidinium" 4816 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 9.82390880584717 "Ki" "radioligand binding assays in CHO cells expressing human M1, M2, or M3 receptors in a scintillation proximity assay with 0.5 nM [3H]-N-methyl scopolamine as the ligand" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/19317446" "Tclin" "Homo sapiens" +"umeclidinium" 4816 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 9.79588031768799 "Ki" "radioligand binding assays in CHO cells expressing human M1, M2, or M3 receptors in a scintillation proximity assay with 0.5 nM [3H]-N-methyl scopolamine as the ligand" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/19317446" "Tclin" "Homo sapiens" +"umeclidinium" 4816 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 10.3 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7354" "ANTAGONIST" "Tclin" "Homo sapiens" +"umeclidinium" 4816 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 9.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7354" "ANTAGONIST" "Tclin" "Homo sapiens" +"rifamycin" 4817 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 5.19999980926514 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL437765" "Tchem" "Homo sapiens" +"rifamycin" 4817 "Bile salt export pump" "Unclassified" "O70127" "Abcb11" "ABCBB_RAT" 5.51 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL437765" "Rattus norvegicus" +"rifamycin" 4817 "Solute carrier organic anion transporter family member 1A2" "Unclassified" "P46721" "SLCO1A2" "SO1A2_HUMAN" 4.96 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4570" "INHIBITOR" "Tbio" "Homo sapiens" +"rifamycin" 4817 "Solute carrier organic anion transporter family member 1B1" "Transporter" "Q9Y6L6" "SLCO1B1" "SO1B1_HUMAN" 5.7 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4570" "INHIBITOR" "Tchem" "Homo sapiens" +"rifamycin" 4817 "DNA-directed RNA polymerase subunit beta" "Enzyme" "P0A8V2" "rpoB" "RPOB_ECOLI" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210910s000lbl.pdf" "INHIBITOR" "Escherichia coli (strain K12)" +"florbetaben F18" 4818 "Amyloid beta A4 protein" "Unclassified" "P05067" "APP" "A4_HUMAN" 8.65 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL566752" "Homo sapiens" +"tasimelteon" 4820 "Melatonin receptor type 1A" "GPCR" "P48039" "MTNR1A" "MTR1A_HUMAN" 9.44999980926514 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/22640220" "http://www.ncbi.nlm.nih.gov/pubmed/22640220" "AGONIST" "Tclin" "Homo sapiens" +"tasimelteon" 4820 "Melatonin receptor type 1B" "GPCR" "P49286" "MTNR1B" "MTR1B_HUMAN" 9.80000019073486 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/22640220" "http://www.ncbi.nlm.nih.gov/pubmed/22640220" "AGONIST" "Tclin" "Homo sapiens" +"seractide" 4821 "Adrenocorticotropic hormone receptor" "GPCR" "Q01718" "MC2R" "ACTHR_HUMAN" 8.00877380371094 "Ki" "125I-ACTH binding in OS3 cells expressing hMC2R wild type" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/17877367" "http://www.ncbi.nlm.nih.gov/pubmed/17877367" "AGONIST" "Tclin" "Homo sapiens" +"laninamivir octanoate hydrate" 4822 "Neuraminidase" "Enzyme" "Q194T1" "Q194T1_9INFA" 5.51 "IC50" "Inhibition of Influenza A virus (A/RI/5+/1957(H2N2)) recombinant neuraminidase using MUNANA as substrate after 30 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL466246" "Influenza A virus (A/RI/5+/1957(H2N2))" +"laninamivir octanoate hydrate" 4822 "Neuraminidase" "Enzyme" "B4URF0" "NA" "B4URF0_9INFA" 8.89 "IC50" "Inhibition of Influenza A virus (A/Yamagata/83/2006(H1N1)) neuraminidase after 30 mins by fluorescence analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL466246" "Influenza A virus (A/WSN/1933(H1N1))" +"peramivir" 4823 "Neuraminidase" "Enzyme" "P03468" "NA" "NRAM_I34A1" 8.85 "IC50" "inhibitory concentration required to inhibit neuraminidase enzyme from different strains of influenza A virus" "CHEMBL" "=" 1 "DRUG LABEL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL139367" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/206426lbl.pdf" "INHIBITOR" "Influenza A virus (strain A/Puerto Rico/8/1934 H1N1)" +"peramivir" 4823 "Neuraminidase" "Enzyme" "P03474" "NA" "NRAM_INBLE" 8.3 "IC50" "Inhibitory activity against influenza B neuraminidase" "CHEMBL" "=" 1 "DRUG LABEL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL139367" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/206426lbl.pdf" "INHIBITOR" "Influenza B virus (strain B/Lee/1940)" +"peramivir" 4823 "Neuraminidase" "Enzyme" "Q9IGQ6" "NA" "NRAM_I18A0" 9.08 "Ki" "Inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant soluble neuraminidase using 2'-4(methylumbelliferyl)-alpha-D-N-acetylneuraminic acid substrate by fluorimetric assay" "CHEMBL" "=" 1 "DRUG LABEL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL139367" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/206426lbl.pdf" "INHIBITOR" "Influenza A virus (strain A/Brevig Mission/1/1918 H1N1)" +"peramivir" 4823 "Neuraminidase" "Enzyme" "B4URF0" "NA" "B4URF0_9INFA" 10.15 "IC50" "Inhibition of oseltamivir-resistant Influenza A virus A/WSN/1933(H1N1) recombinant wild type neuraminidase transfected in HEK293 cells using MUNANA as substrate assessed as release of 4-methylumbelliferone preincubated for 10 mins followed by substrate addition measured after 15 mins by fluorometric assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL139367" "Influenza A virus (A/WSN/1933(H1N1))" +"etilefrine pivalate" 4824 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/4396765" "http://www.ncbi.nlm.nih.gov/pubmed/4396765" "AGONIST" "Tclin" "Homo sapiens" +"metreleptin" 4826 "Leptin receptor" "Membrane receptor" "P48357" "LEPR" "LEPR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125390s004lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125390s004lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"apremilast" 4829 "cAMP-specific 3',5'-cyclic phosphodiesterase 4D" "Enzyme" "Q08499" "PDE4D" "PDE4D_HUMAN" 7.13076829910278 "IC50" "PDE4 enzyme isolated from U937 cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/19256507" "http://www.ncbi.nlm.nih.gov/pubmed/19256507" "INHIBITOR" "Tclin" "Homo sapiens" +"apremilast" 4829 "cAMP-specific 3',5'-cyclic phosphodiesterase 4A" "Enzyme" "P27815" "PDE4A" "PDE4A_HUMAN" 7.85 "IC50" "Potency against recombinant human PDE4A1A isoform in a TR-FRET assay." "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7372" "INHIBITOR" "Tclin" "Homo sapiens" +"apremilast" 4829 "cAMP-specific 3',5'-cyclic phosphodiesterase 4C" "Enzyme" "Q08493" "PDE4C" "PDE4C_HUMAN" 6.93 "IC50" "Potency against recombinant human PDE4C1 isoform in a TR-FRET assay." "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7372" "INHIBITOR" "Tclin" "Homo sapiens" +"apremilast" 4829 "cAMP-specific 3',5'-cyclic phosphodiesterase 4B" "Enzyme" "Q07343" "PDE4B" "PDE4B_HUMAN" 7.57 "IC50" "Potency against recombinant human PDE4B1 and B2 isoforms in a TR-FRET assay." "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7372" "INHIBITOR" "Tclin" "Homo sapiens" +"empagliflozin" 4830 "Sodium/glucose cotransporter 1" "Transporter" "P13866" "SLC5A1" "SC5A1_HUMAN" 5.08092212677002 "IC50" "uptake of [14C] alpha-methyl glucopyranoside" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/21985634" "Tclin" "Homo sapiens" +"empagliflozin" 4830 "Sodium/glucose cotransporter 4" "Transporter" "Q2M3M2" "SLC5A9" "SC5A9_HUMAN" 4.95860719680786 "IC50" "uptake of [14C] alpha-methyl glucopyranoside" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/21985634" "Tdark" "Homo sapiens" +"empagliflozin" 4830 "Sodium/glucose cotransporter 5" "Transporter" "A0PJK1" "SLC5A10" "SC5AA_HUMAN" 5.95860719680786 "IC50" "uptake of [14C] mannose" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/21985634" "Tdark" "Homo sapiens" +"empagliflozin" 4830 "Sodium/myo-inositol cotransporter 2" "Transporter" "Q8WWX8" "SLC5A11" "SC5AB_HUMAN" 5.69896984100342 "IC50" "uptake of [14C] myo-inositol" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/21985634" "Tchem" "Homo sapiens" +"empagliflozin" 4830 "Sodium/glucose cotransporter 2" "Transporter" "P31639" "SLC5A2" "SC5A2_HUMAN" 7.24412536621094 "Kd" "[3H]-empagliflozin kinetic binding experiment" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/21985634" "http://www.ncbi.nlm.nih.gov/pubmed/21985634" "INHIBITOR" "Tclin" "Homo sapiens" +"naloxegol" 4832 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/204760s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/204760s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"gemigliptin" 4833 "Dipeptidyl peptidase 4" "Enzyme" "P27487" "DPP4" "DPP4_HUMAN" 7.79587984085083 "IC50" "fluorometric assay with Gly-Pro-AMC substrate" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://professional.diabetes.org/Content/Posters/2008/p502-P.pdf" "http://professional.diabetes.org/Content/Posters/2008/p502-P.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"gemigliptin" 4833 "Dipeptidyl peptidase 9" "Enzyme" "Q86TI2" "DPP9" "DPP9_HUMAN" 4.32790231704712 "IC50" "fluorometric assay with Gly-Pro-AMC substrate" "SCIENTIFIC LITERATURE" "=" "http://professional.diabetes.org/Content/Posters/2008/p502-P.pdf" "Tchem" "Homo sapiens" +"eliglustat" 4834 "Ceramide glucosyltransferase" "Enzyme" "Q16739" "UGCG" "CEGT_HUMAN" 6.82681369781494 "IC50" "inhibition of GlcCer synthesis in disrupted wild-type MDCK cell preparations" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/22058426" "http://www.ncbi.nlm.nih.gov/pubmed/22058426" "INHIBITOR" "Tclin" "Homo sapiens" +"afamelanotide" 4836 "Melanocyte-stimulating hormone receptor" "GPCR" "Q01726" "MC1R" "MSHR_HUMAN" 10 "IC50" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1324" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/002548/WC500182307.pdf" "AGONIST" "Tclin" "Homo sapiens" +"afamelanotide" 4836 "Melanocortin receptor 4" "GPCR" "P32245" "MC4R" "MC4R_HUMAN" 8.8 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1324" "AGONIST" "Tclin" "Homo sapiens" +"afamelanotide" 4836 "Melanocortin receptor 3" "GPCR" "P41968" "MC3R" "MC3R_HUMAN" 8.9 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1324" "AGONIST" "Tchem" "Homo sapiens" +"afamelanotide" 4836 "Melanocortin receptor 5" "GPCR" "P33032" "MC5R" "MC5R_HUMAN" 9 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1324" "AGONIST" "Tchem" "Homo sapiens" +"aprotinin" 4839 "Plasminogen" "Enzyme" "P00747" "PLG" "PLMN_HUMAN" 6.8 "IC50" "IUPHAR" "=" 1 "CHEMBL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6570" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201619" "INHIBITOR" "Tclin" "Homo sapiens" +"aprotinin" 4839 "Plasma kallikrein" "Enzyme" "P03952" "KLKB1" "KLKB1_HUMAN" "Mechanism of Action; CHEMBL2000; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201619" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201619" "INHIBITOR" "Tclin" "Homo sapiens" +"ecallantide" 4846 "Plasma kallikrein" "Enzyme" "P03952" "KLKB1" "KLKB1_HUMAN" 10.6020603179932 "Ki" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125277s071lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125277s071lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"somatropin" 4848 "Growth hormone receptor" "GPCR" "P10912" "GHR" "GHR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/020280s077lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/020280s077lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"cridanimod" 4853 "Trypsin" "Unclassified" "P00761" "TRYP_PIG" 5.15 "AC50" "Active" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1569545" "Sus scrofa" +"conjugated estrogens" 4855 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2003/21396_prempro_lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"conjugated estrogens" 4855 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2003/21396_prempro_lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"estrone sulphate" 4857 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2005/083220s041lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"estrone sulphate" 4857 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2005/083220s041lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"estrone sulphate" 4857 "Steryl-sulfatase" "Enzyme" "P08842" "STS" "STS_HUMAN" 4.22 "Ki" "Inhibitory activity against steroid sulfatase (STS) desulfation of 4-MUS" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL494753" "Tchem" "Homo sapiens" +"estrone sulphate" 4857 "Solute carrier family 22 member 20" "Transporter" "Q80UJ1" "Slc22a20" "S22AK_MOUSE" 4.24 "Ki" "Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL494753" "Mus musculus" +"corticorelin" 4858 "Corticotropin-releasing factor receptor 1" "GPCR" "P34998" "CRHR1" "CRFR1_HUMAN" 8.48148632049561 "Kd" "COS cells binding human CRF" "SCIENTIFIC LITERATURE" "=" 1 "IUPHAR" "http://www.ncbi.nlm.nih.gov/pubmed/7692441" "AGONIST" "Tclin" "Homo sapiens" +"corticorelin" 4858 "Corticotropin-releasing factor receptor 2" "Unclassified" "P47866" "Crhr2" "CRFR2_RAT" 7.9 "Kd" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" +"corticorelin" 4858 "Corticotropin-releasing factor receptor 2" "Unclassified" "Q60748" "Crhr2" "CRFR2_MOUSE" 7.8 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" +"corticorelin" 4858 "Corticotropin-releasing factor receptor 2" "GPCR" "Q13324" "CRHR2" "CRFR2_HUMAN" 7.4 "Kd" "IUPHAR" "=" "AGONIST" "Homo sapiens" +"phenibut" 4863 "GABA-B receptor" "GPCR" "O75899|Q9UBS5" "GABBR1|GABBR2" "GABR1_HUMAN|GABR2_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/11830761" "AGONIST" "Tclin|Tclin" "Homo sapiens" +"levomilnacipran" 4864 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.95078182220459 "Ki" "radioligand binding in HEK-293 cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/23499664" "http://www.ncbi.nlm.nih.gov/pubmed/23499664" "INHIBITOR" "Tclin" "Homo sapiens" +"levomilnacipran" 4864 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.03526926040649 "Ki" "radioligand binding in HEK-293 cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/23499664" "http://www.ncbi.nlm.nih.gov/pubmed/23499664" "INHIBITOR" "Tclin" "Homo sapiens" +"levomilnacipran" 4864 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.49 "IC50" "Inhibition of human DAT" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL99946" "Tclin" "Homo sapiens" +"levomilnacipran" 4864 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 8.07 "Ki" "Inhibition of [3H]-paroxetine binding on serotonin transporter of rat cerebral cortical synaptic membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL99946" "Rattus norvegicus" +"levomilnacipran" 4864 "Glutamate NMDA receptor" "Ion channel" "P35439|Q00959|Q00960|Q00961|Q62645|Q8VHN2|Q9R1M7" "Grin1|Grin2a|Grin2b|Grin2c|Grin2d|Grin3a|Grin3b" "NMD3A_RAT|NMD3B_RAT|NMDE1_RAT|NMDE2_RAT|NMDE3_RAT|NMDE4_RAT|NMDZ1_RAT" 5.2 "IC50" "Binding affinity for N-methyl-D-aspartate glutamate receptor of cerebral cortical synaptic membranes from rats using [3H]MK-801 as radioligand" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL99946" "Rattus norvegicus" +"mebanazine" 4865 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/5889715" "INHIBITOR" "Tclin" "Homo sapiens" +"mebanazine" 4865 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/5889715" "INHIBITOR" "Tclin" "Homo sapiens" +"ceritinib" 4866 "Insulin-like growth factor 1 receptor" "Kinase" "P08069" "IGF1R" "IGF1R_HUMAN" 8.09691047668457 "IC50" "in vitro enzymatic activity" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/23742252" "Tclin" "Homo sapiens" +"ceritinib" 4866 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" 8.1549015045166 "IC50" "in vitro enzymatic activity" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/23742252" "AGONIST" "Tclin" "Homo sapiens" +"ceritinib" 4866 "Testis-specific serine/threonine-protein kinase 1" "Kinase" "Q9BXA7" "TSSK1B" "TSSK1_HUMAN" 7.63827228546143 "IC50" "in vitro enzymatic activity" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/23742252" "Tchem" "Homo sapiens" +"ceritinib" 4866 "ALK tyrosine kinase receptor" "Kinase" "Q9UM73" "ALK" "ALK_HUMAN" 9.69896984100342 "IC50" "in vitro enzymatic activity" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/23742252" "http://www.ncbi.nlm.nih.gov/pubmed/23742252" "INHIBITOR" "Tclin" "Homo sapiens" +"ceritinib" 4866 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 5.9 "IC50" "Inhibition of ABL (unknown origin) after 60 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2403108" "Tclin" "Homo sapiens" +"ceritinib" 4866 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 7.22 "IC50" "Inhibition of FLT3 (unknown origin) after 60 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2403108" "Tclin" "Homo sapiens" +"ceritinib" 4866 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 6.05 "IC50" "Inhibition of EGFR (unknown origin) after 60 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2403108" "Tclin" "Homo sapiens" +"ceritinib" 4866 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 5.77 "IC50" "Inhibition of TEL-fused SRC (unknown origin) by cell-based assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2403108" "Tclin" "Homo sapiens" +"ceritinib" 4866 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 5.38 "IC50" "Inhibition of TEL-fused KDR (unknown origin) by cell-based assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2403108" "Tclin" "Homo sapiens" +"ceritinib" 4866 "Fibroblast growth factor receptor 3" "Kinase" "P22607" "FGFR3" "FGFR3_HUMAN" 6.37 "IC50" "Inhibition of FGFR3 (unknown origin) after 60 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2403108" "Tclin" "Homo sapiens" +"ceritinib" 4866 "Fibroblast growth factor receptor 4" "Kinase" "P22455" "FGFR4" "FGFR4_HUMAN" 6.02 "IC50" "Inhibition of FGFR4 (unknown origin) after 60 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2403108" "Tclin" "Homo sapiens" +"ceritinib" 4866 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 5.94 "IC50" "Inhibition of PDGFRalpha (unknown origin) after 60 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2403108" "Tclin" "Homo sapiens" +"ceritinib" 4866 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 5.87 "IC50" "Inhibition of TEL-fused MET (unknown origin) by cell-based assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2403108" "Tclin" "Homo sapiens" +"ceritinib" 4866 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 6.21 "IC50" "Inhibition of JAK2 (unknown origin) after 60 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2403108" "Tclin" "Homo sapiens" +"ceritinib" 4866 "Tyrosine-protein kinase JAK1" "Kinase" "P23458" "JAK1" "JAK1_HUMAN" 5.43 "IC50" "Inhibition of JAK1 (unknown origin) after 60 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2403108" "Tclin" "Homo sapiens" +"ceritinib" 4866 "Tyrosine-protein kinase SYK" "Kinase" "P43405" "SYK" "KSYK_HUMAN" 5.52 "IC50" "Inhibition of SYK (unknown origin) after 60 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2403108" "Tclin" "Homo sapiens" +"ceritinib" 4866 "Tyrosine-protein kinase BTK" "Kinase" "Q06187" "BTK" "BTK_HUMAN" 5.47 "IC50" "Inhibition of BTK (unknown origin) after 60 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2403108" "Tclin" "Homo sapiens" +"ceritinib" 4866 "Tyrosine-protein kinase Fgr" "Kinase" "P09769" "FGR" "FGR_HUMAN" 5.71 "IC50" "Inhibition of TEL-fused FGR (unknown origin) by cell-based assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2403108" "Tchem" "Homo sapiens" +"ceritinib" 4866 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 5.1 "IC50" "Inhibition of JAK3 (unknown origin) after 60 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2403108" "Tclin" "Homo sapiens" +"ceritinib" 4866 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.9 "IC50" "Inhibition of human ERG by dofetilide binding assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2403108" "Tclin" "Homo sapiens" +"ceritinib" 4866 "High affinity nerve growth factor receptor" "Kinase" "P04629" "NTRK1" "NTRK1_HUMAN" 5.56 "IC50" "Inhibition of TEL-fused TRKA (unknown origin) by cell-based assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2403108" "Tclin" "Homo sapiens" +"ceritinib" 4866 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" 6.59 "IC50" "Inhibition of FGFR2 (unknown origin) after 60 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2403108" "Tclin" "Homo sapiens" +"ceritinib" 4866 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 5.89 "IC50" "Inhibition of cKIT (unknown origin) after 60 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2403108" "Tclin" "Homo sapiens" +"ceritinib" 4866 "MAP kinase-interacting serine/threonine-protein kinase 2" "Kinase" "Q9HBH9" "MKNK2" "MKNK2_HUMAN" 5.65 "IC50" "Inhibition of MKNK2 (unknown origin) after 60 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2403108" "Tchem" "Homo sapiens" +"ceritinib" 4866 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 6.08 "IC50" "Inhibition of LYN (unknown origin) after 60 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2403108" "Tclin" "Homo sapiens" +"ceritinib" 4866 "Tyrosine-protein kinase ZAP-70" "Kinase" "P43403" "ZAP70" "ZAP70_HUMAN" 5.01 "IC50" "Inhibition of ZAP70 (unknown origin) after 60 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2403108" "Tchem" "Homo sapiens" +"ceritinib" 4866 "Cyclin-dependent kinase 2" "Kinase" "P24941" "CDK2" "CDK2_HUMAN" 5.4 "IC50" "Inhibition of CDK2 (unknown origin) after 60 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2403108" "Tchem" "Homo sapiens" +"ceritinib" 4866 "Proto-oncogene tyrosine-protein kinase ROS" "Kinase" "P08922" "ROS1" "ROS1_HUMAN" 6.85 "IC50" "Inhibition of TEL-fused ROS (unknown origin) by cell-based assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2403108" "Tclin" "Homo sapiens" +"ceritinib" 4866 "Rho-associated protein kinase 2" "Kinase" "O75116" "ROCK2" "ROCK2_HUMAN" 5.9 "IC50" "Inhibition of ROCK2 (unknown origin) after 60 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2403108" "Tclin" "Homo sapiens" +"ceritinib" 4866 "Transcription factor ETV6" "Transcription factor" "P41212" "ETV6" "ETV6_HUMAN" 5.49 "IC50" "Inhibition of wild-type TEL (unknown origin) by cell-based assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2403108" "Tbio" "Homo sapiens" +"ceritinib" 4866 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 6.4 "IC50" "Inhibition of RET (unknown origin) after 60 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2403108" "Tclin" "Homo sapiens" +"ceritinib" 4866 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 6.25 "IC50" "Inhibition of LCK (unknown origin) after 60 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2403108" "Tclin" "Homo sapiens" +"ceritinib" 4866 "BDNF/NT-3 growth factors receptor" "Kinase" "Q16620" "NTRK2" "NTRK2_HUMAN" 5.74 "IC50" "Inhibition of TEL-fused TRKB (unknown origin) by cell-based assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2403108" "Tclin" "Homo sapiens" +"ceritinib" 4866 "Cyclin-dependent kinase 4" "Kinase" "P11802" "CDK4" "CDK4_HUMAN" 5.33 "IC50" "Inhibition of CDK4 (unknown origin) after 60 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2403108" "Tclin" "Homo sapiens" +"dexrabeprazole" 4867 "Potassium-transporting ATPase" "Transporter" "P20648|P51164" "ATP4A|ATP4B" "ATP4A_HUMAN|ATP4B_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/2154989" "http://www.ncbi.nlm.nih.gov/pubmed/2154989" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"vorapaxar" 4870 "Proteinase-activated receptor 1" "GPCR" "P25116" "F2R" "PAR1_HUMAN" 8.09151458740234 "Ki" "antagonist" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/18447380" "http://www.ncbi.nlm.nih.gov/pubmed/18447380" "ANTAGONIST" "Tclin" "Homo sapiens" +"tedizolid phosphate" 4873 "Staphylococcus aureus subsp. aureus" "Bacteria" 5.9545488357544 "MIC" "MIC for S. aureus ATCC 29213" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/21502615" "http://www.ncbi.nlm.nih.gov/pubmed/21502615" "MINIMUM INHIBITORY CONCENTRATION" +"efinaconazole" 4874 "Trichophyton rubrum" "Fungi" 6.44515609741211 "MIC" "80% inhibition" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/11302816" "http://www.ncbi.nlm.nih.gov/pubmed/11302816" "MINIMUM INHIBITORY CONCENTRATION" +"efinaconazole" 4874 "Trichophyton mentagrophytes" "Fungi" 6.14412593841553 "MIC" "80% inhibition" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/11302816" "http://www.ncbi.nlm.nih.gov/pubmed/11302816" "MINIMUM INHIBITORY CONCENTRATION" +"efinaconazole" 4874 "Lanosterol 14-alpha demethylase" "Enzyme" "F2SHH3" "F2SHH3_TRIRC" "Mechanism of Action; CHEMBL3307221; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2103877" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2103877" "INHIBITOR" "Trichophyton rubrum (strain ATCC MYA-4607 / CBS 118892)" +"daclatasvir" 4875 "Genome polyprotein" "Polyprotein" "P27958" "POLG_HCVH" 10.3010301589966 "EC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/20410884" "http://www.ncbi.nlm.nih.gov/pubmed/20410884" "INHIBITOR" "Hepatitis C virus genotype 1a (isolate H)" +"daclatasvir" 4875 "Genome polyprotein" "Polyprotein" "P26663" "POLG_HCVBK" 11.0457572937012 "EC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/20410884" "http://www.ncbi.nlm.nih.gov/pubmed/20410884" "INHIBITOR" "Hepatitis C virus genotype 1b (isolate BK)" +"daclatasvir" 4875 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.53 "IC50" "Inhibition of human ERG by whole cell patch clamp assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2023898" "Tclin" "Homo sapiens" +"belinostat" 4876 "Histone deacetylase 4" "Enzyme" "P56524" "HDAC4" "HDAC4_HUMAN" 7.56863641738892 "IC50" "histone deacetylase activity in vitro in HeLa cell extracts" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/12939461" "http://www.ncbi.nlm.nih.gov/pubmed/12939461" "INHIBITOR" "Tclin" "Homo sapiens" +"belinostat" 4876 "Histone deacetylase 10" "Enzyme" "Q969S8" "HDAC10" "HDA10_HUMAN" 7.23 "Ki" "Competitive inhibition of HDAC10 using KI-104 as substrate by fluorescence assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408513" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408513" "INHIBITOR" "Tclin" "Homo sapiens" +"belinostat" 4876 "Histone deacetylase 11" "Enzyme" "Q96DB2" "HDAC11" "HDA11_HUMAN" 7.57 "Ki" "Competitive inhibition of HDAC11 using KI-104 as substrate by fluorescence assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408513" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408513" "INHIBITOR" "Tclin" "Homo sapiens" +"belinostat" 4876 "Histone deacetylase 8" "Enzyme" "Q9BY41" "HDAC8" "HDAC8_HUMAN" 7.66 "Ki" "Competitive inhibition of HDAC8 using KI-104 as substrate by fluorescence assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408513" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408513" "INHIBITOR" "Tclin" "Homo sapiens" +"belinostat" 4876 "Histone deacetylase 9" "Enzyme" "Q9UKV0" "HDAC9" "HDAC9_HUMAN" 7.62 "Ki" "Competitive inhibition of HDAC9 using KI-104 as substrate by fluorescence assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408513" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408513" "INHIBITOR" "Tclin" "Homo sapiens" +"belinostat" 4876 "Histone deacetylase 6" "Enzyme" "Q9UBN7" "HDAC6" "HDAC6_HUMAN" 8.8 "Ki" "Inhibition of human HDAC6" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408513" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408513" "INHIBITOR" "Tclin" "Homo sapiens" +"belinostat" 4876 "Histone deacetylase 1" "Enzyme" "Q13547" "HDAC1" "HDAC1_HUMAN" 9.07 "Ki" "Inhibition of human HDAC1" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408513" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408513" "INHIBITOR" "Tclin" "Homo sapiens" +"belinostat" 4876 "Histone deacetylase 3" "Enzyme" "O15379" "HDAC3" "HDAC3_HUMAN" 8.82 "Ki" "Inhibition of human HDAC3" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408513" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408513" "INHIBITOR" "Tclin" "Homo sapiens" +"belinostat" 4876 "Histone deacetylase 2" "Enzyme" "Q92769" "HDAC2" "HDAC2_HUMAN" 9.07 "Ki" "Inhibition of human HDAC2" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408513" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408513" "INHIBITOR" "Tclin" "Homo sapiens" +"belinostat" 4876 "Histone deacetylase 5" "Enzyme" "Q9UQL6" "HDAC5" "HDAC5_HUMAN" 7.6 "Ki" "Competitive inhibition of HDAC5 using KI-104 as substrate by fluorescence assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408513" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408513" "INHIBITOR" "Tclin" "Homo sapiens" +"belinostat" 4876 "Histone deacetylase 7" "Enzyme" "Q8WUI4" "HDAC7" "HDAC7_HUMAN" 7.29 "Ki" "Competitive inhibition of HDAC7 using KI-104 as substrate by fluorescence assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408513" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408513" "INHIBITOR" "Tclin" "Homo sapiens" +"tavaborole" 4877 "Trichophyton mentagrophytes" "Fungi" 4.88061618804932 "MIC" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/17588934" "http://www.ncbi.nlm.nih.gov/pubmed/17588934" "MINIMUM INHIBITORY CONCENTRATION" +"tavaborole" 4877 "Trichophyton rubrum" "Fungi" 4.88061618804932 "MIC" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/17588934" "http://www.ncbi.nlm.nih.gov/pubmed/17588934" "MINIMUM INHIBITORY CONCENTRATION" +"tavaborole" 4877 "Leucine--tRNA ligase, cytoplasmic" "Enzyme" "P26637" "CDC60" "SYLC_YEAST" 5.73 "Ki" "Inhibition of Saccharomyces cerevisiae cytoplasmic leucyl-tRNA synthetase after 20 mins" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL443052" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" +"tavaborole" 4877 "Leucine-tRNA ligase" "Enzyme" "F2SF18" "F2SF18_TRIRC" "Mechanism of Action; CHEMBL3307222; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL443052" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL443052" "INHIBITOR" "Trichophyton rubrum (strain ATCC MYA-4607 / CBS 118892)" +"idelalisib" 4878 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform" "Kinase" "O00329" "PIK3CD" "PK3CD_HUMAN" 8.60206031799316 "IC50" "in vitro Invitrogen SelectScreen kinase inhibitor assay" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/20959606" "http://www.ncbi.nlm.nih.gov/pubmed/20959606" "INHIBITOR" "Tclin" "Homo sapiens" +"idelalisib" 4878 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform" "Kinase" "P48736" "PIK3CG" "PK3CG_HUMAN" 7.05061006546021 "IC50" "in vitro Invitrogen SelectScreen kinase inhibitor assay" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/20959606" "Tclin" "Homo sapiens" +"idelalisib" 4878 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform" "Kinase" "P42338" "PIK3CB" "PK3CB_HUMAN" 6.24795150756836 "IC50" "in vitro Invitrogen SelectScreen kinase inhibitor assay" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/20959606" "Tchem" "Homo sapiens" +"idelalisib" 4878 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform" "Kinase" "P42336" "PIK3CA" "PK3CA_HUMAN" 6.08618593215942 "IC50" "in vitro Invitrogen SelectScreen kinase inhibitor assay" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/20959606" "Tclin" "Homo sapiens" +"idelalisib" 4878 "DNA-dependent protein kinase catalytic subunit" "Kinase" "P78527" "PRKDC" "PRKDC_HUMAN" 5.17000007629395 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2216870" "Tchem" "Homo sapiens" +"enoxaparin sodium" 4879 "Antithrombin-III" "Secreted" "P01008" "SERPINC1" "ANT3_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201476" "ACTIVATOR" "Tclin" "Homo sapiens" +"suvorexant" 4881 "Orexin receptor type 1" "GPCR" "O43613" "HCRTR1" "OX1R_HUMAN" 9.25963687896729 "Ki" "radioligand-displacement binding assay" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/20565075" "http://www.ncbi.nlm.nih.gov/pubmed/20565075" "ANTAGONIST" "Tclin" "Homo sapiens" +"suvorexant" 4881 "Orexin receptor type 2" "GPCR" "O43614" "HCRTR2" "OX2R_HUMAN" 9.45593166351318 "Ki" "radioligand-displacement binding assay" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/20565075" "http://www.ncbi.nlm.nih.gov/pubmed/20565075" "ANTAGONIST" "Tclin" "Homo sapiens" +"suvorexant" 4881 "Orexin receptor type 1" "GPCR" "P58307" "Hcrtr1" "OX1R_MOUSE" 8.77 "Ki" "Antagonist activity at mouse OX1 receptor expressed in CHO cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM staining-based FLIPR assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1083659" "Mus musculus" +"suvorexant" 4881 "Orexin receptor type 2" "GPCR" "P58308" "Hcrtr2" "OX2R_MOUSE" 8.06 "Ki" "Antagonist activity at mouse OX2 receptor expressed in HEK cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM staining-based FLIPR assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1083659" "Mus musculus" +"istradefylline" 4882 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 6.08 "Ki" "Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 90 mins by liquid scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL431770" "Tclin" "Homo sapiens" +"istradefylline" 4882 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 8.66 "Ki" "Binding affinity towards human Adenosine A2a receptor expressed in HEK293 cells using 6 nM [3H]CGS-21680" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL431770" "http://www.ncbi.nlm.nih.gov/pubmed/16004599" "ANTAGONIST" "Tclin" "Homo sapiens" +"istradefylline" 4882 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.35 "Ki" "Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL431770" "Tchem" "Homo sapiens" +"istradefylline" 4882 "Adenosine receptor A2a" "GPCR" "P30543" "Adora2a" "AA2AR_RAT" 8.7 "Ki" "Displacement of [3H]ZM241385 from rat recombinant adenosine A2A receptor expressed in CHO cells" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL431770" "Rattus norvegicus" +"istradefylline" 4882 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 6.82 "Ki" "Displacement of [3H]CHA from Adenosine A1 receptor of rat forebrain membranes (shielded from light)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL431770" "Rattus norvegicus" +"dulaglutide" 4885 "Glucagon-like peptide 1 receptor" "GPCR" "P43220" "GLP1R" "GLP1R_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/nda/2014/125469Orig1s000Lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/nda/2014/125469Orig1s000Lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"cetilistat" 4886 "Pancreatic triacylglycerol lipase" "Enzyme" "P16233" "PNLIP" "LIPP_HUMAN" 8.22548294067383 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/18500680" "http://www.ncbi.nlm.nih.gov/pubmed/18500680" "INHIBITOR" "Tclin" "Homo sapiens" +"favipiravir" 4887 "H1N1 subtype" "Virus" 6.13 "EC50" "Antiviral activity (EC50) as determined by plaque reduction assay" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/19428599" "http://www.ncbi.nlm.nih.gov/pubmed/19428599" +"favipiravir" 4887 "H2N2 subtype" "Virus" 6 "EC50" "Antiviral activity (EC50) as determined by plaque reduction assay" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/19428599" "http://www.ncbi.nlm.nih.gov/pubmed/19428599" +"favipiravir" 4887 "H3N2 subtype" "Virus" 5.74 "EC50" "Antiviral activity (EC50) as determined by plaque reduction assay" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/19428599" "http://www.ncbi.nlm.nih.gov/pubmed/19428599" +"favipiravir" 4887 "H1N5 subtype" "Virus" 5.35 "EC50" "Antiviral activity (EC50) as determined by plaque reduction assay" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/19428599" "http://www.ncbi.nlm.nih.gov/pubmed/19428599" +"topiroxostat" 4888 "Xanthine dehydrogenase/oxidase" "Enzyme" "P47989" "XDH" "XDH_HUMAN" 8.27572441101074 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/19783139" "http://www.ncbi.nlm.nih.gov/pubmed/19783139" "INHIBITOR" "Tclin" "Homo sapiens" +"asunaprevir" 4889 "Genome polyprotein" "Polyprotein" "P27958" "POLG_HCVH" 9.39793968200684 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/22869577" "http://www.ncbi.nlm.nih.gov/pubmed/22869577" "INHIBITOR" "Hepatitis C virus genotype 1a (isolate H)" +"ipragliflozin" 4890 "Sodium/glucose cotransporter 2" "Transporter" "P31639" "SLC5A2" "SC5A2_HUMAN" 8.13194370269775 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/22139434" "http://www.ncbi.nlm.nih.gov/pubmed/22139434" "INHIBITOR" "Tclin" "Homo sapiens" +"ipragliflozin" 4890 "Sodium/glucose cotransporter 1" "Transporter" "P13866" "SLC5A1" "SC5A1_HUMAN" 5.72676706314087 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/22139434" "Tclin" "Homo sapiens" +"ipragliflozin" 4890 "Sodium/glucose cotransporter 1" "Transporter" "Q8C3K6" "Slc5a1" "SC5A1_MOUSE" 5.86 "IC50" "Measuring inhibition of sodium-dependent [14C]AMG-uptake in CHO cells expressing mSGLT1." "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=9394" "INHIBITOR" "Mus musculus" +"ipragliflozin" 4890 "Sodium/glucose cotransporter 1" "Transporter" "P53790" "Slc5a1" "SC5A1_RAT" 5.93 "IC50" "Measuring inhibition of sodium-dependent [14C]AMG-uptake in CHO cells expressing rSGLT1." "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=9394" "INHIBITOR" "Rattus norvegicus" +"ipragliflozin" 4890 "Sodium/glucose cotransporter 2" "Transporter" "Q923I7" "Slc5a2" "SC5A2_MOUSE" 8.25 "IC50" "Measuring inhibition of sodium-dependent [14C]AMG-uptake in CHO cells expressing mSGLT2." "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=9394" "INHIBITOR" "Mus musculus" +"ipragliflozin" 4890 "Sodium/glucose cotransporter 2" "Transporter" "P53792" "Slc5a2" "SC5A2_RAT" 8.2 "IC50" "Measuring inhibition of sodium-dependent [14C]AMG-uptake in CHO cells expressing rSGLT2." "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=9394" "INHIBITOR" "Rattus norvegicus" +"luseogliflozin" 4891 "Sodium/glucose cotransporter 2" "Transporter" "P31639" "SLC5A2" "SC5A2_HUMAN" 8.6458911895752 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/20302302" "http://www.ncbi.nlm.nih.gov/pubmed/20302302" "INHIBITOR" "Tclin" "Homo sapiens" +"luseogliflozin" 4891 "Sodium/glucose cotransporter 1" "Transporter" "P13866" "SLC5A1" "SC5A1_HUMAN" 5.39902687072754 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/20302302" "Tclin" "Homo sapiens" +"tofogliflozin" 4892 "Sodium/glucose cotransporter 2" "Transporter" "P31639" "SLC5A2" "SC5A2_HUMAN" 8.53760242462158 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/22889351" "http://www.ncbi.nlm.nih.gov/pubmed/22889351" "INHIBITOR" "Tclin" "Homo sapiens" +"tofogliflozin" 4892 "Sodium/glucose cotransporter 1" "Transporter" "P13866" "SLC5A1" "SC5A1_HUMAN" 5.07345199584961 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/22889351" "Tclin" "Homo sapiens" +"tipiracil" 4893 "Thymidine phosphorylase" "Enzyme" "P19971" "TYMP" "TYPH_HUMAN" 7.69896984100342 "IC50" "spectrophotometric assay; 5-nitro-2'-deoxyuridine substrate" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/12519058" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207981s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"tipiracil" 4893 "Thymidine phosphorylase" "Enzyme" "P07650" "deoA" "TYPH_ECOLI" 7.7 "IC50" "Inhibition of Thymidine phosphorylase from Escherichia coli" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL65375" "Escherichia coli (strain K12)" +"teneligliptin" 4895 "Dipeptidyl peptidase 4" "Enzyme" "P27487" "DPP4" "DPP4_HUMAN" 9.43179798126221 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/22959556" "http://www.ncbi.nlm.nih.gov/pubmed/22959556" "INHIBITOR" "Tclin" "Homo sapiens" +"teneligliptin" 4895 "Dipeptidyl peptidase 8" "Enzyme" "Q6V1X1" "DPP8" "DPP8_HUMAN" 6.58502674102783 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/22959556" "Tchem" "Homo sapiens" +"teneligliptin" 4895 "Dipeptidyl peptidase 9" "Enzyme" "Q86TI2" "DPP9" "DPP9_HUMAN" 6.26760625839233 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/22959556" "Tchem" "Homo sapiens" +"teneligliptin" 4895 "Dipeptidyl peptidase 4" "Enzyme" "P14740" "Dpp4" "DPP4_RAT" 9.54 "IC50" "Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2147777" "Rattus norvegicus" +"anagliptin" 4896 "Dipeptidyl peptidase 4" "Enzyme" "P27487" "DPP4" "DPP4_HUMAN" 8.42021656036377 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/22019046" "http://www.ncbi.nlm.nih.gov/pubmed/22019046" "INHIBITOR" "Tclin" "Homo sapiens" +"anagliptin" 4896 "Dipeptidyl peptidase 8" "Enzyme" "Q6V1X1" "DPP8" "DPP8_HUMAN" 7.16749095916748 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/22019046" "Tchem" "Homo sapiens" +"anagliptin" 4896 "Dipeptidyl peptidase 9" "Enzyme" "Q86TI2" "DPP9" "DPP9_HUMAN" 7.22184896469116 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/22019046" "Tchem" "Homo sapiens" +"anagliptin" 4896 "Prolyl endopeptidase FAP" "Enzyme" "Q12884" "FAP" "SEPR_HUMAN" 4.14 "IC50" "Inhibition of human recombinant FAP expressed in baculovirus-infected Sf9 insect cells using H-Ala-Pro-AFC as substrate after 60 mins by fluorescence assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1929387" "Tchem" "Homo sapiens" +"edoxaban" 4897 "Coagulation factor X" "Enzyme" "P00742" "F10" "FA10_HUMAN" 9.25181198120117 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/20503967" "http://www.ncbi.nlm.nih.gov/pubmed/20503967" "INHIBITOR" "Tclin" "Homo sapiens" +"netupitant" 4898 "Substance-P receptor" "GPCR" "P25103" "TACR1" "NK1R_HUMAN" 9.02227592468262 "Ki" "displacement of [3H]-labelled substance P from cloned human receptor expressed in CHO cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/16332435" "http://www.ncbi.nlm.nih.gov/pubmed/16332435" "ANTAGONIST" "Tclin" "Homo sapiens" +"ledipasvir" 4899 "Genome polyprotein" "Polyprotein" "P27958" "POLG_HCVH" 10.508638381958 "EC50" "replicon antiviral assay" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/24320933" "http://www.ncbi.nlm.nih.gov/pubmed/24320933" "INHIBITOR" "Hepatitis C virus genotype 1a (isolate H)" +"ledipasvir" 4899 "Genome polyprotein" "Polyprotein" "P26663" "POLG_HCVBK" 11.3979396820068 "EC50" "replicon antiviral assay" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/24320933" "http://www.ncbi.nlm.nih.gov/pubmed/24320933" "INHIBITOR" "Hepatitis C virus genotype 1b (isolate BK)" +"diquafosol" 4900 "P2Y purinoceptor 2" "GPCR" "P41231" "P2RY2" "P2RY2_HUMAN" 7.46852111816406 "EC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/18232657" "http://www.ncbi.nlm.nih.gov/pubmed/18232657" "AGONIST" "Tclin" "Homo sapiens" +"diquafosol" 4900 "P2Y purinoceptor 4" "GPCR" "P51582" "P2RY4" "P2RY4_HUMAN" 6.4 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1736" "AGONIST" "Tchem" "Homo sapiens" +"insulin glargine" 4901 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/021081s062lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/021081s062lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"imidafenacin" 4902 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 9.49894046783447 "Kb" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/10428387" "http://www.ncbi.nlm.nih.gov/pubmed/10428387" "ANTAGONIST" "Tclin" "Homo sapiens" +"imidafenacin" 4902 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 8.3840503692627 "Kb" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/10428387" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 8.30103015899658 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/19522465" "http://www.ncbi.nlm.nih.gov/pubmed/19522465" "INHIBITOR" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 7.42021656036377 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/19522465" "http://www.ncbi.nlm.nih.gov/pubmed/19522465" "INHIBITOR" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 7.74472761154175 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/19522465" "http://www.ncbi.nlm.nih.gov/pubmed/19522465" "INHIBITOR" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Vascular endothelial growth factor receptor 1" "Kinase" "P17948" "FLT1" "VGFR1_HUMAN" 6.98296642303467 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/19522465" "http://www.ncbi.nlm.nih.gov/pubmed/19522465" "INHIBITOR" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Vascular endothelial growth factor receptor 3" "Kinase" "P35916" "FLT4" "VGFR3_HUMAN" 8.30103015899658 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/19522465" "http://www.ncbi.nlm.nih.gov/pubmed/19522465" "INHIBITOR" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Mitogen-activated protein kinase 10" "Kinase" "P53779" "MAPK10" "MK10_HUMAN" 6.57 "Kd" "Binding constant for JNK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Dual specificity mitogen-activated protein kinase kinase 1" "Kinase" "Q02750" "MAP2K1" "MP2K1_HUMAN" 8 "Kd" "Binding constant for MEK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 8 "Kd" "Binding constant for ABL1(T315I)-phosphorylated kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Cyclin-dependent kinase-like 2" "Kinase" "Q92772" "CDKL2" "CDKL2_HUMAN" 5.89 "Kd" "Binding constant for CDKL2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tbio" "Homo sapiens" +"nintedanib" 4903 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 9.38 "Kd" "Binding constant for FLT3(D835Y) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Protein kinase C theta type" "Kinase" "Q04759" "PRKCQ" "KPCT_HUMAN" 5.26 "Kd" "Binding constant for PRKCQ kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase DCLK1" "Kinase" "O15075" "DCLK1" "DCLK1_HUMAN" 6.27 "Kd" "Binding constant for DCAMKL1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Muscle, skeletal receptor tyrosine-protein kinase" "Kinase" "O15146" "MUSK" "MUSK_HUMAN" 6.23 "Kd" "Binding constant for MUSK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 6.24 "Kd" "Binding constant for SRC kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Calcium/calmodulin-dependent protein kinase type 1" "Kinase" "Q14012" "CAMK1" "KCC1A_HUMAN" 5.23 "Kd" "Binding constant for CAMK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Fibroblast growth factor receptor 3" "Kinase" "P22607" "FGFR3" "FGFR3_HUMAN" 7.03 "Kd" "Binding constant for FGFR3 kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "INHIBITOR" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase 35" "Kinase" "Q8TDR2" "STK35" "STK35_HUMAN" 6.09 "Kd" "Binding constant for STK35 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Calcium/calmodulin-dependent protein kinase type IV" "Kinase" "Q16566" "CAMK4" "KCC4_HUMAN" 5.43 "Kd" "Binding constant for CAMK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tbio" "Homo sapiens" +"nintedanib" 4903 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" 7.62 "Kd" "Binding constant for INSR kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "AGONIST" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Fibroblast growth factor receptor 4" "Kinase" "P22455" "FGFR4" "FGFR4_HUMAN" 5.74 "Kd" "Binding constant for FGFR4 kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "INHIBITOR" "Tclin" "Homo sapiens" +"nintedanib" 4903 "SRSF protein kinase 1" "Kinase" "Q96SB4" "SRPK1" "SRPK1_HUMAN" 7.43 "Kd" "Binding constant for SRPK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase RIO3" "Kinase" "O14730" "RIOK3" "RIOK3_HUMAN" 7.44 "Kd" "Binding constant for RIOK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 6.7 "Kd" "Binding constant for MET kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Casein kinase I isoform epsilon" "Kinase" "P49674" "CSNK1E" "KC1E_HUMAN" 6.64 "Kd" "Binding constant for CSNK1E kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Myosin-IIIb" "Kinase" "Q8WXR4" "MYO3B" "MYO3B_HUMAN" 5.57 "Kd" "Binding constant for MYO3B kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tdark" "Homo sapiens" +"nintedanib" 4903 "Dual specificity mitogen-activated protein kinase kinase 3" "Kinase" "P46734" "MAP2K3" "MP2K3_HUMAN" 5.68 "Kd" "Binding constant for MEK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase PAK 3" "Kinase" "O75914" "PAK3" "PAK3_HUMAN" 6.68 "Kd" "Binding constant for PAK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Ephrin type-B receptor 4" "Kinase" "P54760" "EPHB4" "EPHB4_HUMAN" 5.96 "Kd" "Binding constant for EPHB4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 7.85 "Kd" "Binding constant for JAK2(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Ribosomal protein S6 kinase alpha-6" "Kinase" "Q9UK32" "RPS6KA6" "KS6A6_HUMAN" 6.64 "Kd" "Binding constant for RSK4(Kin.Dom.1-N-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "MAP/microtubule affinity-regulating kinase 3" "Kinase" "P27448" "MARK3" "MARK3_HUMAN" 6.11 "Kd" "Binding constant for MARK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Ribosomal protein S6 kinase alpha-1" "Kinase" "Q15418" "RPS6KA1" "KS6A1_HUMAN" 6.74 "Kd" "Binding constant for RSK1(Kin.Dom.1-N-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase SBK1" "Kinase" "Q52WX2" "SBK1" "SBK1_HUMAN" 6.96 "Kd" "Binding constant for SBK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tdark" "Homo sapiens" +"nintedanib" 4903 "Mitogen-activated protein kinase kinase kinase 15" "Kinase" "Q6ZN16" "MAP3K15" "M3K15_HUMAN" 5.85 "Kd" "Binding constant for MAP3K15 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Microtubule-associated serine/threonine-protein kinase 1" "Kinase" "Q9Y2H9" "MAST1" "MAST1_HUMAN" 5.34 "Kd" "Binding constant for MAST1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Dual specificity mitogen-activated protein kinase kinase 5" "Kinase" "Q13163" "MAP2K5" "MP2K5_HUMAN" 8.74 "Kd" "Binding constant for MEK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Tyrosine-protein kinase JAK1" "Kinase" "P23458" "JAK1" "JAK1_HUMAN" 8.32 "Kd" "Binding constant for JAK1(JH2domain-pseudokinase) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Casein kinase I isoform delta" "Kinase" "P48730" "CSNK1D" "KC1D_HUMAN" 5.89 "Kd" "Binding constant for CSNK1D kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Tyrosine-protein kinase ITK/TSK" "Kinase" "Q08881" "ITK" "ITK_HUMAN" 6.68 "Kd" "Binding constant for ITK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Homeodomain-interacting protein kinase 3" "Kinase" "Q9H422" "HIPK3" "HIPK3_HUMAN" 6.07 "Kd" "Binding constant for HIPK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tbio" "Homo sapiens" +"nintedanib" 4903 "Homeodomain-interacting protein kinase 2" "Kinase" "Q9H2X6" "HIPK2" "HIPK2_HUMAN" 6.1 "Kd" "Binding constant for HIPK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Maternal embryonic leucine zipper kinase" "Kinase" "Q14680" "MELK" "MELK_HUMAN" 8.31 "Kd" "Binding constant for MELK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Wee1-like protein kinase" "Kinase" "P30291" "WEE1" "WEE1_HUMAN" 5.54 "Kd" "Binding constant for WEE1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Tyrosine-protein kinase BTK" "Kinase" "Q06187" "BTK" "BTK_HUMAN" 6.51 "Kd" "Binding constant for BTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "NUAK family SNF1-like kinase 1" "Kinase" "O60285" "NUAK1" "NUAK1_HUMAN" 6.8 "Kd" "Binding constant for ARK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase D1" "Kinase" "Q15139" "PRKD1" "KPCD1_HUMAN" 6 "Kd" "Binding constant for PRKD1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Mitogen-activated protein kinase kinase kinase 13" "Kinase" "O43283" "MAP3K13" "M3K13_HUMAN" 6.85 "Kd" "Binding constant for LZK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tbio" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase TBK1" "Kinase" "Q9UHD2" "TBK1" "TBK1_HUMAN" 6.82 "Kd" "Binding constant for TBK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase ICK" "Kinase" "Q9UPZ9" "ICK" "ICK_HUMAN" 5.77 "Kd" "Binding constant for ICK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Ephrin type-A receptor 1" "Kinase" "P21709" "EPHA1" "EPHA1_HUMAN" 5.92 "Kd" "Binding constant for EPHA1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Mitogen-activated protein kinase kinase kinase kinase 1" "Kinase" "Q92918" "MAP4K1" "M4K1_HUMAN" 7.46 "Kd" "Binding constant for HPK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase/endoribonuclease IRE1" "Kinase" "O75460" "ERN1" "ERN1_HUMAN" 5.7 "Kd" "Binding constant for ERN1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "MAP/microtubule affinity-regulating kinase 4" "Kinase" "Q96L34" "MARK4" "MARK4_HUMAN" 5.7 "Kd" "Binding constant for MARK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Tyrosine-protein kinase Fgr" "Kinase" "P09769" "FGR" "FGR_HUMAN" 6.52 "Kd" "Binding constant for FGR kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase OSR1" "Kinase" "O95747" "OXSR1" "OXSR1_HUMAN" 5.89 "Kd" "Binding constant for OSR1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tbio" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase D3" "Kinase" "O94806" "PRKD3" "KPCD3_HUMAN" 6.19 "Kd" "Binding constant for PRKD3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase Sgk3" "Kinase" "Q96BR1" "SGK3" "SGK3_HUMAN" 6 "Kd" "Binding constant for SGK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tbio" "Homo sapiens" +"nintedanib" 4903 "STE20/SPS1-related proline-alanine-rich protein kinase" "Kinase" "Q9UEW8" "STK39" "STK39_HUMAN" 6.28 "Kd" "Binding constant for STK39 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tbio" "Homo sapiens" +"nintedanib" 4903 "Mitogen-activated protein kinase kinase kinase 7" "Kinase" "O43318" "MAP3K7" "M3K7_HUMAN" 8.39 "Kd" "Binding constant for TAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Dual specificity protein kinase CLK2" "Kinase" "P49760" "CLK2" "CLK2_HUMAN" 6.12 "Kd" "Binding constant for CLK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "G protein-coupled receptor kinase 7" "Kinase" "Q8WTQ7" "GRK7" "GRK7_HUMAN" 5.92 "Kd" "Binding constant for GRK7 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Tyrosine-protein kinase FRK" "Kinase" "P42685" "FRK" "FRK_HUMAN" 5.57 "Kd" "Binding constant for FRK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Myosin light chain kinase family member 4" "Kinase" "Q86YV6" "MYLK4" "MYLK4_HUMAN" 6.36 "Kd" "Binding constant for MYLK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Homeodomain-interacting protein kinase 1" "Kinase" "Q86Z02" "HIPK1" "HIPK1_HUMAN" 5.89 "Kd" "Binding constant for HIPK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tbio" "Homo sapiens" +"nintedanib" 4903 "Dual specificity protein kinase CLK1" "Kinase" "P49759" "CLK1" "CLK1_HUMAN" 8.06 "Kd" "Binding constant for CLK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Dual specificity protein kinase TTK" "Kinase" "P33981" "TTK" "TTK_HUMAN" 7.66 "Kd" "Binding constant for TTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Ephrin type-A receptor 2" "Kinase" "P29317" "EPHA2" "EPHA2_HUMAN" 5.54 "Kd" "Binding constant for EPHA2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Ephrin type-A receptor 3" "Kinase" "P29320" "EPHA3" "EPHA3_HUMAN" 5.07 "Kd" "Binding constant for EPHA3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 7.06 "Kd" "Binding constant for LOK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Tyrosine-protein kinase Fer" "Kinase" "P16591" "FER" "FER_HUMAN" 7.14 "Kd" "Binding constant for FER kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase 16" "Kinase" "O75716" "STK16" "STK16_HUMAN" 7.74 "Kd" "Binding constant for STK16 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase 17B" "Kinase" "O94768" "STK17B" "ST17B_HUMAN" 6.17 "Kd" "Binding constant for DRAK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase PLK4" "Kinase" "O00444" "PLK4" "PLK4_HUMAN" 7.28 "Kd" "Binding constant for PLK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "AP2-associated protein kinase 1" "Kinase" "Q2M2I8" "AAK1" "AAK1_HUMAN" 7.2 "Kd" "Binding constant for AAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase MARK2" "Kinase" "Q7KZI7" "MARK2" "MARK2_HUMAN" 5.85 "Kd" "Binding constant for MARK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 8.09 "Kd" "Binding constant for JAK3(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Ribosomal protein S6 kinase alpha-5" "Kinase" "O75582" "RPS6KA5" "KS6A5_HUMAN" 6.7 "Kd" "Binding constant for RPS6KA5(Kin.Dom.1-N-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Casein kinase II subunit alpha'" "Kinase" "P19784" "CSNK2A2" "CSK22_HUMAN" 6.05 "Kd" "Binding constant for CSNK2A2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Tyrosine-protein kinase Yes" "Kinase" "P07947" "YES1" "YES_HUMAN" 7.1 "Kd" "Binding constant for YES kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase N2" "Kinase" "Q16513" "PKN2" "PKN2_HUMAN" 5.85 "Kd" "Binding constant for PKN2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Tyrosine-protein kinase HCK" "Kinase" "P08631" "HCK" "HCK_HUMAN" 5.28 "Kd" "Binding constant for HCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Aurora kinase C" "Kinase" "Q9UQB9" "AURKC" "AURKC_HUMAN" 6.72 "Kd" "Binding constant for AURKC kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Phosphorylase b kinase gamma catalytic chain, liver/testis isoform" "Kinase" "P15735" "PHKG2" "PHKG2_HUMAN" 6.59 "Kd" "Binding constant for PHKG2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "High affinity nerve growth factor receptor" "Kinase" "P04629" "NTRK1" "NTRK1_HUMAN" 8.35 "Kd" "Binding constant for TRKA kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 7.82 "Kd" "Binding constant for PDGFRB kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "INHIBITOR" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" 6.46 "Kd" "Binding constant for FGFR2 kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "INHIBITOR" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Ribosomal protein S6 kinase alpha-3" "Kinase" "P51812" "RPS6KA3" "KS6A3_HUMAN" 7.19 "Kd" "Binding constant for RSK2(Kin.Dom.1-N-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Homeodomain-interacting protein kinase 4" "Kinase" "Q8NE63" "HIPK4" "HIPK4_HUMAN" 5.92 "Kd" "Binding constant for HIPK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Myosin light chain kinase, smooth muscle" "Kinase" "Q15746" "MYLK" "MYLK_HUMAN" 6.54 "Kd" "Binding constant for MYLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Mitogen-activated protein kinase kinase kinase 10" "Kinase" "Q02779" "MAP3K10" "M3K10_HUMAN" 5.64 "Kd" "Binding constant for MLK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Mitogen-activated protein kinase kinase kinase kinase 5" "Kinase" "Q9Y4K4" "MAP4K5" "M4K5_HUMAN" 6.41 "Kd" "Binding constant for MAP4K5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Misshapen-like kinase 1" "Kinase" "Q8N4C8" "MINK1" "MINK1_HUMAN" 7.09 "Kd" "Binding constant for MINK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Leucine-rich repeat serine/threonine-protein kinase 2" "Kinase" "Q5S007" "LRRK2" "LRRK2_HUMAN" 7.43 "Kd" "Binding constant for LRRK2(G2019S) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Interleukin-1 receptor-associated kinase 4" "Kinase" "Q9NWZ3" "IRAK4" "IRAK4_HUMAN" 6.09 "Kd" "Binding constant for IRAK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Insulin receptor-related protein" "Kinase" "P14616" "INSRR" "INSRR_HUMAN" 7.68 "Kd" "Binding constant for INSRR kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 8.57 "Kd" "Binding constant for KIT(L576P) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "BMP-2-inducible protein kinase" "Kinase" "Q9NSY1" "BMP2K" "BMP2K_HUMAN" 8.66 "Kd" "Binding constant for BIKE kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase PAK 7" "Kinase" "Q9P286" "PAK5" "PAK5_HUMAN" 5.89 "Kd" "Binding constant for PAK7 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase 17A" "Kinase" "Q9UEE5" "STK17A" "ST17A_HUMAN" 6.96 "Kd" "Binding constant for DRAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Mitogen-activated protein kinase kinase kinase 11" "Kinase" "Q16584" "MAP3K11" "M3K11_HUMAN" 6.15 "Kd" "Binding constant for MLK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Insulin-like growth factor 1 receptor" "Kinase" "P08069" "IGF1R" "IGF1R_HUMAN" 7.21 "Kd" "Binding constant for IGF1R kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Ephrin type-A receptor 6" "Kinase" "Q9UF33" "EPHA6" "EPHA6_HUMAN" 6.03 "Kd" "Binding constant for EPHA6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "TRAF2 and NCK-interacting protein kinase" "Kinase" "Q9UKE5" "TNIK" "TNIK_HUMAN" 7.28 "Kd" "Binding constant for TNIK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Calcium/calmodulin-dependent protein kinase kinase 2" "Kinase" "Q96RR4" "CAMKK2" "KKCC2_HUMAN" 6.04 "Kd" "Binding constant for CAMKK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Ribosomal protein S6 kinase alpha-4" "Kinase" "O75676" "RPS6KA4" "KS6A4_HUMAN" 6.21 "Kd" "Binding constant for RPS6KA4(Kin.Dom.1-N-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Aurora kinase B" "Kinase" "Q96GD4" "AURKB" "AURKB_HUMAN" 6.38 "Kd" "Binding constant for AURKB kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "STE20-like serine/threonine-protein kinase" "Kinase" "Q9H2G2" "SLK" "SLK_HUMAN" 7.29 "Kd" "Binding constant for SLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Dual specificity protein kinase CLK4" "Kinase" "Q9HAZ1" "CLK4" "CLK4_HUMAN" 7.74 "Kd" "Binding constant for CLK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Death-associated protein kinase 2" "Kinase" "Q9UIK4" "DAPK2" "DAPK2_HUMAN" 5.49 "Kd" "Binding constant for DAPK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Non-receptor tyrosine-protein kinase TYK2" "Kinase" "P29597" "TYK2" "TYK2_HUMAN" 7.43 "Kd" "Binding constant for TYK2(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Interleukin-1 receptor-associated kinase 1" "Kinase" "P51617" "IRAK1" "IRAK1_HUMAN" 6.92 "Kd" "Binding constant for IRAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase 4" "Kinase" "Q13043" "STK4" "STK4_HUMAN" 8.05 "Kd" "Binding constant for MST1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Calcium/calmodulin-dependent protein kinase kinase 1" "Kinase" "Q8N5S9" "CAMKK1" "KKCC1_HUMAN" 6.2 "Kd" "Binding constant for CAMKK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Calcium/calmodulin-dependent protein kinase type 1D" "Kinase" "Q8IU85" "CAMK1D" "KCC1D_HUMAN" 5.66 "Kd" "Binding constant for CAMK1D kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase 3" "Kinase" "Q13188" "STK3" "STK3_HUMAN" 7.42 "Kd" "Binding constant for MST2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Calcium/calmodulin-dependent protein kinase type 1G" "Kinase" "Q96NX5" "CAMK1G" "KCC1G_HUMAN" 6.59 "Kd" "Binding constant for CAMK1G kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "5'-AMP-activated protein kinase catalytic subunit alpha-1" "Kinase" "Q13131" "PRKAA1" "AAPK1_HUMAN" 7.06 "Kd" "Binding constant for AMPK-alpha1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 6.03 "Kd" "Binding constant for LYN kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Ribosomal protein S6 kinase alpha-2" "Kinase" "Q15349" "RPS6KA2" "KS6A2_HUMAN" 7.24 "Kd" "Binding constant for RSK3(Kin.Dom.1-N-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase ULK2" "Kinase" "Q8IYT8" "ULK2" "ULK2_HUMAN" 6.42 "Kd" "Binding constant for ULK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform" "Kinase" "Q16816" "PHKG1" "PHKG1_HUMAN" 6.85 "Kd" "Binding constant for PHKG1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Ephrin type-B receptor 1" "Kinase" "P54762" "EPHB1" "EPHB1_HUMAN" 6.26 "Kd" "Binding constant for EPHB1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Activated CDC42 kinase 1" "Kinase" "Q07912" "TNK2" "ACK1_HUMAN" 5.8 "Kd" "Binding constant for TNK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Cyclin-dependent kinase 16" "Kinase" "Q00536" "CDK16" "CDK16_HUMAN" 7.68 "Kd" "Binding constant for PCTK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Mitogen-activated protein kinase kinase kinase kinase 3" "Kinase" "Q8IVH8" "MAP4K3" "M4K3_HUMAN" 6.54 "Kd" "Binding constant for MAP4K3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Focal adhesion kinase 1" "Kinase" "Q05397" "PTK2" "FAK1_HUMAN" 6.68 "Kd" "Binding constant for FAK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Casein kinase II subunit alpha" "Kinase" "P68400" "CSNK2A1" "CSK21_HUMAN" 5.12 "Kd" "Binding constant for CSNK2A1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "NT-3 growth factor receptor" "Kinase" "Q16288" "NTRK3" "NTRK3_HUMAN" 7.49 "Kd" "Binding constant for TRKC kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase STK11" "Kinase" "Q15831" "STK11" "STK11_HUMAN" 7.74 "Kd" "Binding constant for LKB1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Rhodopsin kinase" "Kinase" "Q15835" "GRK1" "RK_HUMAN" 6 "Kd" "Binding constant for GRK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Tyrosine-protein kinase ZAP-70" "Kinase" "P43403" "ZAP70" "ZAP70_HUMAN" 5.46 "Kd" "Binding constant for ZAP70 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Activin receptor type-1" "Kinase" "Q04771" "ACVR1" "ACVR1_HUMAN" 6.22 "Kd" "Binding constant for ACVR1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Interleukin-1 receptor-associated kinase 3" "Kinase" "Q9Y616" "IRAK3" "IRAK3_HUMAN" 5.28 "Kd" "Binding constant for IRAK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Calcium/calmodulin-dependent protein kinase type II subunit alpha" "Kinase" "Q9UQM7" "CAMK2A" "KCC2A_HUMAN" 5.44 "Kd" "Binding constant for CAMK2A kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "G protein-coupled receptor kinase 4" "Kinase" "P32298" "GRK4" "GRK4_HUMAN" 7.77 "Kd" "Binding constant for GRK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Mitogen-activated protein kinase kinase kinase 2" "Kinase" "Q9Y2U5" "MAP3K2" "M3K2_HUMAN" 8.03 "Kd" "Binding constant for MAP3K2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Cyclin-dependent kinase 2" "Kinase" "P24941" "CDK2" "CDK2_HUMAN" 5.85 "Kd" "Binding constant for CDK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase ULK3" "Kinase" "Q6PHR2" "ULK3" "ULK3_HUMAN" 7.22 "Kd" "Binding constant for ULK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Abelson tyrosine-protein kinase 2" "Kinase" "P42684" "ABL2" "ABL2_HUMAN" 5.7 "Kd" "Binding constant for ABL2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase MARK1" "Kinase" "Q9P0L2" "MARK1" "MARK1_HUMAN" 5.85 "Kd" "Binding constant for MARK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase 26" "Kinase" "Q9P289" "STK26" "STK26_HUMAN" 7.31 "Kd" "Binding constant for MST4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tbio" "Homo sapiens" +"nintedanib" 4903 "Bone morphogenetic protein receptor type-2" "Kinase" "Q13873" "BMPR2" "BMPR2_HUMAN" 7.25 "Kd" "Binding constant for BMPR2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Protein-tyrosine kinase 2-beta" "Kinase" "Q14289" "PTK2B" "FAK2_HUMAN" 7.09 "Kd" "Binding constant for PYK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Tyrosine-protein kinase Blk" "Kinase" "P51451" "BLK" "BLK_HUMAN" 6.42 "Kd" "Binding constant for BLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase LATS2" "Kinase" "Q9NRM7" "LATS2" "LATS2_HUMAN" 6.42 "Kd" "Binding constant for LATS2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Inhibitor of nuclear factor kappa-B kinase subunit alpha" "Kinase" "O15111" "CHUK" "IKKA_HUMAN" 5.35 "Kd" "Binding constant for IKK-alpha kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 5.85 "Kd" "Binding constant for TIE2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Inhibitor of nuclear factor kappa-B kinase subunit epsilon" "Kinase" "Q14164" "IKBKE" "IKKE_HUMAN" 6.77 "Kd" "Binding constant for IKK-epsilon kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Dual specificity tyrosine-phosphorylation-regulated kinase 1B" "Kinase" "Q9Y463" "DYRK1B" "DYR1B_HUMAN" 5.8 "Kd" "Binding constant for DYRK1B kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase PRP4 homolog" "Kinase" "Q13523" "PRPF4B" "PRP4B_HUMAN" 8.08 "Kd" "Binding constant for PRP4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase PknB" "Kinase" "P9WI81" "pknB" "PKNB_MYCTU" 8.44 "Kd" "Binding constant for PKNB(M.tuberculosis) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" +"nintedanib" 4903 "Proto-oncogene tyrosine-protein kinase ROS" "Kinase" "P08922" "ROS1" "ROS1_HUMAN" 5.43 "Kd" "Binding constant for ROS1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Calcium-dependent protein kinase 1" "Kinase" "P62344" "CPK1" "CDPK1_PLAF7" 5.92 "Kd" "Binding constant for PFCDPK1(P.falciparum) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Plasmodium falciparum" +"nintedanib" 4903 "Ephrin type-B receptor 6" "Kinase" "O15197" "EPHB6" "EPHB6_HUMAN" 6.85 "Kd" "Binding constant for EPHB6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Mitogen-activated protein kinase 8" "Kinase" "P45983" "MAPK8" "MK08_HUMAN" 6.2 "Kd" "Binding constant for JNK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase SIK2" "Kinase" "Q9H0K1" "SIK2" "SIK2_HUMAN" 6.55 "Kd" "Binding constant for SIK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Cyclin-dependent kinase 7" "Kinase" "P50613" "CDK7" "CDK7_HUMAN" 6.52 "Kd" "Binding constant for CDK7 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase 24" "Kinase" "Q9Y6E0" "STK24" "STK24_HUMAN" 6.96 "Kd" "Binding constant for MST3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "5'-AMP-activated protein kinase catalytic subunit alpha-2" "Kinase" "P54646" "PRKAA2" "AAPK2_HUMAN" 7.08 "Kd" "Binding constant for AMPK-alpha2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 6.2 "Kd" "Binding constant for FYN kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Macrophage colony-stimulating factor 1 receptor" "Kinase" "P07333" "CSF1R" "CSF1R_HUMAN" 7.32 "Kd" "Binding constant for CSF1R kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Uncharacterized serine/threonine-protein kinase SBK3" "Kinase" "P0C264" "SBK3" "SBK3_HUMAN" 5.7 "Kd" "Binding constant for SgK110 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tdark" "Homo sapiens" +"nintedanib" 4903 "Discoidin domain-containing receptor 2" "Kinase" "Q16832" "DDR2" "DDR2_HUMAN" 7.38 "Kd" "Binding constant for DDR2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Cyclin-dependent kinase 17" "Kinase" "Q00537" "CDK17" "CDK17_HUMAN" 7.03 "Kd" "Binding constant for PCTK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Death-associated protein kinase 3" "Kinase" "O43293" "DAPK3" "DAPK3_HUMAN" 5.68 "Kd" "Binding constant for DAPK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase receptor R3" "Kinase" "P37023" "ACVRL1" "ACVL1_HUMAN" 5.38 "Kd" "Binding constant for ACVRL1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Activin receptor type-1B" "Kinase" "P36896" "ACVR1B" "ACV1B_HUMAN" 5.31 "Kd" "Binding constant for ACVR1B kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Tyrosine-protein kinase receptor Tie-1" "Kinase" "P35590" "TIE1" "TIE1_HUMAN" 5.66 "Kd" "Binding constant for TIE1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "TGF-beta receptor type-1" "Kinase" "P36897" "TGFBR1" "TGFR1_HUMAN" 5.38 "Kd" "Binding constant for TGFBR1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase PAK 4" "Kinase" "O96013" "PAK4" "PAK4_HUMAN" 5.52 "Kd" "Binding constant for PAK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase DCLK3" "Kinase" "Q9C098" "DCLK3" "DCLK3_HUMAN" 6.11 "Kd" "Binding constant for DCAMKL3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Cyclin-dependent kinase 14" "Kinase" "O94921" "CDK14" "CDK14_HUMAN" 6.33 "Kd" "Binding constant for PFTK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Eukaryotic translation initiation factor 2-alpha kinase 4" "Kinase" "Q9P2K8" "EIF2AK4" "E2AK4_HUMAN" 5.7 "Kd" "Binding constant for GCN2(Kin.Dom.2,S808G) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 8.02 "Kd" "Binding constant for RET(V804M) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Epithelial discoidin domain-containing receptor 1" "Kinase" "Q08345" "DDR1" "DDR1_HUMAN" 7.92 "Kd" "Binding constant for DDR1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Mitogen-activated protein kinase kinase kinase kinase 4" "Kinase" "O95819" "MAP4K4" "M4K4_HUMAN" 6.82 "Kd" "Binding constant for MAP4K4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Cyclin-dependent kinase 18" "Kinase" "Q07002" "CDK18" "CDK18_HUMAN" 6.29 "Kd" "Binding constant for PCTK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tbio" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase LATS1" "Kinase" "O95835" "LATS1" "LATS1_HUMAN" 6.38 "Kd" "Binding constant for LATS1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tbio" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase PAK 2" "Kinase" "Q13177" "PAK2" "PAK2_HUMAN" 5.48 "Kd" "Binding constant for PAK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Tyrosine-protein kinase receptor TYRO3" "Kinase" "Q06418" "TYRO3" "TYRO3_HUMAN" 5.31 "Kd" "Binding constant for TYRO3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Tyrosine-protein kinase Fes/Fps" "Kinase" "P07332" "FES" "FES_HUMAN" 5.92 "Kd" "Binding constant for FES kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 8.21 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Myosin light chain kinase 2, skeletal/cardiac muscle" "Kinase" "Q9H1R3" "MYLK2" "MYLK2_HUMAN" 5.4 "Kd" "Binding constant for MYLK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tbio" "Homo sapiens" +"nintedanib" 4903 "Mitogen-activated protein kinase kinase kinase 9" "Kinase" "P80192" "MAP3K9" "M3K9_HUMAN" 6.66 "Kd" "Binding constant for MLK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Leukocyte tyrosine kinase receptor" "Kinase" "P29376" "LTK" "LTK_HUMAN" 6.82 "Kd" "Binding constant for LTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Mitogen-activated protein kinase kinase kinase 19" "Kinase" "Q56UN5" "MAP3K19" "M3K19_HUMAN" 8.28 "Kd" "Binding constant for YSK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Tyrosine-protein kinase receptor UFO" "Kinase" "P30530" "AXL" "UFO_HUMAN" 7.92 "Kd" "Binding constant for AXL kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Phosphatidylinositol 5-phosphate 4-kinase type-2 beta" "Kinase" "P78356" "PIP4K2B" "PI42B_HUMAN" 7.77 "Kd" "Binding constant for PIP5K2B kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "3-phosphoinositide-dependent protein kinase 1" "Kinase" "O15530" "PDPK1" "PDPK1_HUMAN" 5.55 "Kd" "Binding constant for PDPK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase D2" "Kinase" "Q9BZL6" "PRKD2" "KPCD2_HUMAN" 6.14 "Kd" "Binding constant for PRKD2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "BDNF/NT-3 growth factors receptor" "Kinase" "Q16620" "NTRK2" "NTRK2_HUMAN" 7.72 "Kd" "Binding constant for TRKB kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "NUAK family SNF1-like kinase 2" "Kinase" "Q9H093" "NUAK2" "NUAK2_HUMAN" 7.68 "Kd" "Binding constant for SNARK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "SRSF protein kinase 2" "Kinase" "P78362" "SRPK2" "SRPK2_HUMAN" 7.44 "Kd" "Binding constant for SRPK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tbio" "Homo sapiens" +"nintedanib" 4903 "Dual specificity mitogen-activated protein kinase kinase 2" "Kinase" "P36507" "MAP2K2" "MP2K2_HUMAN" 7.38 "Kd" "Binding constant for MEK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Dual specificity mitogen-activated protein kinase kinase 4" "Kinase" "P45985" "MAP2K4" "MP2K4_HUMAN" 5.43 "Kd" "Binding constant for MEK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "SRSF protein kinase 3" "Kinase" "Q9UPE1" "SRPK3" "SRPK3_HUMAN" 7.92 "Kd" "Binding constant for SRPK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Tyrosine-protein kinase TXK" "Kinase" "P42681" "TXK" "TXK_HUMAN" 6.07 "Kd" "Binding constant for TXK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "ALK tyrosine kinase receptor" "Kinase" "Q9UM73" "ALK" "ALK_HUMAN" 7.51 "Kd" "Binding constant for ALK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Mitogen-activated protein kinase kinase kinase 12" "Kinase" "Q12852" "MAP3K12" "M3K12_HUMAN" 6.85 "Kd" "Binding constant for DLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Myosin light chain kinase 3" "Kinase" "Q32MK0" "MYLK3" "MYLK3_HUMAN" 6.96 "Kd" "Binding constant for MLCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Receptor-interacting serine/threonine-protein kinase 1" "Kinase" "Q13546" "RIPK1" "RIPK1_HUMAN" 6.62 "Kd" "Binding constant for RIPK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Phosphatidylinositol 4-phosphate 5-kinase type-1 alpha" "Kinase" "Q99755" "PIP5K1A" "PI51A_HUMAN" 7.31 "Kd" "Binding constant for PIP5K1A kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tbio" "Homo sapiens" +"nintedanib" 4903 "Mitogen-activated protein kinase kinase kinase 3" "Kinase" "Q99759" "MAP3K3" "M3K3_HUMAN" 7.47 "Kd" "Binding constant for MAP3K3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase RIO1" "Kinase" "Q9BRS2" "RIOK1" "RIOK1_HUMAN" 7.64 "Kd" "Binding constant for RIOK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Vascular endothelial growth factor receptor 2" "Kinase" "P35918" "Kdr" "VGFR2_MOUSE" 7.89 "IC50" "Inhibition of mouse GST-fused VEGFR2 expressed in Sf9 insect cells after 20 mins by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Mus musculus" +"nintedanib" 4903 "Cyclin-dependent kinase 4" "Kinase" "P11802" "CDK4" "CDK4_HUMAN" 6.8 "Kd" "Binding constant for CDK4-cyclinD1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Ribosomal protein S6 kinase beta-1" "Kinase" "P23443" "RPS6KB1" "KS6B1_HUMAN" 6.72 "Kd" "Binding constant for S6K1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase ULK1" "Kinase" "O75385" "ULK1" "ULK1_HUMAN" 6.47 "Kd" "Binding constant for ULK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase 33" "Kinase" "Q9BYT3" "STK33" "STK33_HUMAN" 5.96 "Kd" "Binding constant for STK33 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Testis-specific serine/threonine-protein kinase 1" "Kinase" "Q9BXA7" "TSSK1B" "TSSK1_HUMAN" 5.21 "Kd" "Binding constant for TSSK1B kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Glycogen synthase kinase-3 beta" "Kinase" "P49841" "GSK3B" "GSK3B_HUMAN" 7.08 "Kd" "Binding constant for GSK3B kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase Chk1" "Kinase" "O14757" "CHEK1" "CHK1_HUMAN" 6.54 "Kd" "Binding constant for CHEK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Glycogen synthase kinase-3 alpha" "Kinase" "P49840" "GSK3A" "GSK3A_HUMAN" 6.37 "Kd" "Binding constant for GSK3A kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tclin" "Homo sapiens" +"nintedanib" 4903 "cGMP-dependent protein kinase 1" "Kinase" "Q13976" "PRKG1" "KGP1_HUMAN" 7.85 "Kd" "Binding constant for PRKG1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Receptor-interacting serine/threonine-protein kinase 4" "Kinase" "P57078" "RIPK4" "RIPK4_HUMAN" 6.36 "Kd" "Binding constant for RIPK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase N1" "Kinase" "Q16512" "PKN1" "PKN1_HUMAN" 6.13 "Kd" "Binding constant for PKN1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Serine/threonine-protein kinase SIK1" "Kinase" "P57059" "SIK1" "SIK1_HUMAN" 6.17 "Kd" "Binding constant for SIK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Mitogen-activated protein kinase kinase kinase kinase 2" "Kinase" "Q12851" "MAP4K2" "M4K2_HUMAN" 6.54 "Kd" "Binding constant for MAP4K2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Tyrosine-protein kinase Mer" "Kinase" "Q12866" "MERTK" "MERTK_HUMAN" 8.07 "Kd" "Binding constant for MERTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"nintedanib" 4903 "Mitogen-activated protein kinase 7" "Kinase" "Q13164" "MAPK7" "MK07_HUMAN" 5.6 "Kd" "Binding constant for ERK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tbio" "Homo sapiens" +"nintedanib" 4903 "Non-receptor tyrosine-protein kinase TNK1" "Kinase" "Q13470" "TNK1" "TNK1_HUMAN" 6.68 "Kd" "Binding constant for TNK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "Tchem" "Homo sapiens" +"adalimumab" 4904 "Tumor necrosis factor" "Cytokine" "P01375" "TNF" "TNFA_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125057s367lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125057s367lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"pegaptanib" 4905 "Vascular endothelial growth factor A" "Secreted" "P15692" "VEGFA" "VEGFA_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2011/021756s018lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2011/021756s018lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"fimasartan" 4906 "Type-1 angiotensin II receptor" "GPCR" "P30556" "AGTR1" "AGTR1_HUMAN" 9.37675094604492 "IC50" "antagonism of angiotensin II induced contraction" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/22264484" "http://www.ncbi.nlm.nih.gov/pubmed/22264484" "ANTAGONIST" "Tclin" "Homo sapiens" +"olaparib" 4907 "Poly [ADP-ribose] polymerase 1" "Enzyme" "P09874" "PARP1" "PARP1_HUMAN" 8.30103015899658 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/18800822" "http://www.ncbi.nlm.nih.gov/pubmed/18800822" "INHIBITOR" "Tclin" "Homo sapiens" +"olaparib" 4907 "Poly [ADP-ribose] polymerase 2" "Enzyme" "Q9UGN5" "PARP2" "PARP2_HUMAN" 9 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/18800822" "http://www.ncbi.nlm.nih.gov/pubmed/18800822" "INHIBITOR" "Tclin" "Homo sapiens" +"olaparib" 4907 "Tankyrase-1" "Enzyme" "O95271" "TNKS" "TNKS1_HUMAN" 5.82390880584717 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/18800822" "Tchem" "Homo sapiens" +"olaparib" 4907 "Poly [ADP-ribose] polymerase 3" "Enzyme" "Q9Y6F1" "PARP3" "PARP3_HUMAN" 7.34 "IC50" "Inhibition of PARP3 (unknown origin) using activated DNA as substrate after 1 hr by streptavidin-horseradish peroxidase-based luminescence assay" "CHEMBL" "=" 1 "DRUG LABEL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL521686" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/206162lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"acotiamide" 4908 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 5.52287864685059 "IC50" "recombinant human AChE" "DRUG LABEL" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/21651906" "INHIBITOR" "Tclin" "Homo sapiens" +"alemtuzumab" 4909 "CAMPATH-1 antigen" "Surface antigen" "P31358" "CD52" "CD52_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/103948s5139lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/103948s5139lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"felypressin" 4910 "Vasopressin V1a receptor" "GPCR" "P37288" "AVPR1A" "V1AR_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/5224878" "http://www.ncbi.nlm.nih.gov/pubmed/18655903" "AGONIST" "Tclin" "Homo sapiens" +"ombitasvir" 4912 "Genome polyprotein" "Polyprotein" "P27958" "POLG_HCVH" 10.8538722991943 "EC50" "in vitro replicon assay" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/24400777" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206619s003lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 1a (isolate H)" +"ombitasvir" 4912 "Genome polyprotein" "Polyprotein" "P26663" "POLG_HCVBK" 11.3010301589966 "EC50" "in vitro replicon assay" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/24400777" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206619s003lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 1b (isolate BK)" +"blinatumomab" 4915 "B-lymphocyte antigen CD19" "Surface antigen" "P15391" "CD19" "CD19_HUMAN" 9 "Kd" "Binding of the single-chain Fv portion of blinatumomab to CD19." "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7384" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125557lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"blinatumomab" 4915 "T-cell surface glycoprotein CD3" "Surface antigen" "P04234|P07766|P09693" "CD3D|CD3E|CD3G" "CD3D_HUMAN|CD3E_HUMAN|CD3G_HUMAN" 7 "Kd" "Binding of the single-chain Fv portion of blinatumomab to CD3." "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7384" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125557lbl.pdf" "ANTIBODY BINDING" "Tclin|Tclin|Tclin" "Homo sapiens" +"aflibercept" 4916 "Vascular endothelial growth factor B" "Secreted" "P49765" "VEGFB" "VEGFB_HUMAN" 11.7166986465454 "Kd" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125418s020lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125418s020lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"aflibercept" 4916 "Placenta growth factor" "Secreted" "P49763" "PGF" "PLGF_HUMAN" 10.408935546875 "Kd" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125418s020lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125418s020lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"aflibercept" 4916 "Vascular endothelial growth factor A" "Secreted" "P15692" "VEGFA" "VEGFA_HUMAN" 12.3010301589966 "Kd" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125418s020lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125418s020lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"ramucirumab" 4917 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 10.3 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7390" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125477s007lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"idursulfase" 4918 "glycosaminoglycans" "Metabolite" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125151s0184lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125151s0184lbl.pdf" "HYDROLYTIC ENZYME" +"finafloxacin" 4920 "Pseudomonas aeruginosa" "Bacteria" 5.29927825927734 "MIC90" "Pseudomonas aeruginosa ATCC 27853 ciprofloxacin susceptible at pH 5.8-6.2" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/21709094" "http://www.ncbi.nlm.nih.gov/pubmed/21709094" "MINIMUM INHIBITORY CONCENTRATION" +"finafloxacin" 4920 "Staphylococcus aureus subsp. aureus" "Bacteria" 6.50339841842651 "MIC90" "methicillin-resistant S. aureus [MRSA] ATCC 33591 ciprofloxacin susceptible at pH 5.8-6.2" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/21709094" "http://www.ncbi.nlm.nih.gov/pubmed/21709094" "MINIMUM INHIBITORY CONCENTRATION" +"safinamide" 4921 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 6.34678745269775 "Ki" "human recombinant MAO B" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/17915852" "http://www.ncbi.nlm.nih.gov/pubmed/17030736" "INHIBITOR" "Tclin" "Homo sapiens" +"safinamide" 4921 "Sodium channel protein type 9 subunit alpha" "Ion channel" "Q15858" "SCN9A" "SCN9A_HUMAN" 4.48 "IC50" "Inhibition of tetrodotoxin-sensitive Na+ channel at -50 mV membrane holding potential by patch-clamp electrophysiology" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL48582" "Tclin" "Homo sapiens" +"safinamide" 4921 "Amine oxidase [flavin-containing] B" "Enzyme" "P19643" "Maob" "AOFB_RAT" 7.59 "IC50" "Inhibition of MAO-B in mitochondria-enriched Sprague-Dawley rat liver fractions using p-tyramine as substrate incubated for 30 mins prior to substrate addition measured for 45 mins by amplex red reagent-based microplate fluorescence reader analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL48582" "Rattus norvegicus" +"safinamide" 4921 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P04774|P04775|P08104" "Scn1a|Scn2a|Scn3a" "SCN1A_RAT|SCN2A_RAT|SCN3A_RAT" 5.09 "IC50" "Binding of [3H]batrachotoxin (BTX) to rat brain sodium channel" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL48582" "Rattus norvegicus" +"safinamide" 4921 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q9R0C9" "Sigmar1" "SGMR1_RAT" 7.71 "IC50" "Inhibition of [3H]pentazocine binding to Opioid receptor sigma 1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL48582" "Rattus norvegicus" +"safinamide" 4921 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 4.34999990463257 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL48582" "Tclin" "Homo sapiens" +"nivolumab" 4923 "Programmed cell death protein 1" "Membrane receptor" "Q15116" "PDCD1" "PDCD1_HUMAN" 9.14 "Kd" "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7335" "http://www.ncbi.nlm.nih.gov/pubmed/24872026" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"pembrolizumab" 4924 "Programmed cell death protein 1" "Membrane receptor" "Q15116" "PDCD1" "PDCD1_HUMAN" 10 "Kd" "IUPHAR" "~" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7499" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125514lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"becaplermin" 4925 "Platelet-derived growth factor receptor" "Kinase" "P09619|P16234" "PDGFRA|PDGFRB" "PGFRA_HUMAN|PGFRB_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2011/103691s5095lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2011/103691s5095lbl.pdf" "AGONIST" "Tclin|Tclin" "Homo sapiens" +"albiglutide" 4927 "Glucagon-like peptide 1 receptor" "GPCR" "P43220" "GLP1R" "GLP1R_HUMAN" 9.69896984100342 "EC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/15331566" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125431s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"albiglutide" 4927 "Glucagon-like peptide 1 receptor" "GPCR" "P32301" "Glp1r" "GLP1R_RAT" 7.7 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7386" "AGONIST" "Rattus norvegicus" +"follitropin" 4928 "Follicle-stimulating hormone receptor" "GPCR" "P23945" "FSHR" "FSHR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021289s019lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"lutropin alfa" 4929 "Lutropin-choriogonadotropic hormone receptor" "GPCR" "P22888" "LHCGR" "LSHR_HUMAN" 10.9 "IC50" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2004/21322lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"thyrotropin alfa" 4930 "Thyrotropin receptor" "GPCR" "P16473" "TSHR" "TSHR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2004/21322lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2004/21322lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"corticotropin" 4931 "Melanocyte-stimulating hormone receptor" "GPCR" "Q01726" "MC1R" "MSHR_HUMAN" 8.6 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1331" "AGONIST" "Tclin" "Homo sapiens" +"corticotropin" 4931 "Melanocortin receptor 3" "GPCR" "P41968" "MC3R" "MC3R_HUMAN" 7.06 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1331" "AGONIST" "Tchem" "Homo sapiens" +"corticotropin" 4931 "Melanocortin receptor 4" "GPCR" "P32245" "MC4R" "MC4R_HUMAN" 6.16 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1331" "AGONIST" "Tclin" "Homo sapiens" +"corticotropin" 4931 "Adrenocorticotropic hormone receptor" "GPCR" "Q01718" "MC2R" "ACTHR_HUMAN" "UNKNOWN" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1331" "AGONIST" "Tclin" "Homo sapiens" +"imiglucerase" 4932 "glucocerebroside" "Metabolite" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2005/20367s066lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2005/20367s066lbl.pdf" "HYDROLYTIC ENZYME" +"tocilizumab" 4933 "Interleukin-6 receptor" "Membrane receptor" "P08887|P40189" "IL6R|IL6ST" "IL6RA_HUMAN|IL6RB_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125276s092lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125276s092lbl.pdf" "ANTIBODY BINDING" "Tclin|Tclin" "Homo sapiens" +"secukinumab" 4934 "Interleukin-17A" "Cytokine" "Q16552" "IL17A" "IL17_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/23253932" "http://www.ncbi.nlm.nih.gov/pubmed/23253932" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"palivizumab" 4935 "Fusion glycoprotein F0" "Surface antigen" "P03420" "F" "FUS_HRSVA" 5.35734844207764 "EC50" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/103770s5185lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/103770s5185lbl.pdf" "ANTIBODY BINDING" "Human respiratory syncytial virus A (strain A2)" +"parathyroid hormone" 4936 "Parathyroid hormone/parathyroid hormone-related peptide receptor" "GPCR" "Q03431" "PTH1R" "PTH1R_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125511s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125511s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"alectinib" 4937 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 8.31875896453857 "IC50" "time-resolved fluorescence resonance energy transfer assay to examine each compound’s ability to phosphorylate substrate peptide Biotin-EGPWLEEEEEAYGWMDF in the presence of the drug and 30 umol/L ATP" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/25349307" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/208434s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"alectinib" 4937 "ALK tyrosine kinase receptor" "Kinase" "Q9UM73" "ALK" "ALK_HUMAN" 8.72124671936035 "IC50" "TR-FRET in vitro assay ATP concentration 30uM" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/21575866" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/208434s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"alectinib" 4937 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 5.85 "IC50" "Inhibition of KDR using Bio-Gastrintide as substrate by TR-FRET assay in presence of 50 uM of ATP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1738797" "Tclin" "Homo sapiens" +"ripasudil" 4938 "Rho-associated protein kinase 2" "Kinase" "O75116" "ROCK2" "ROCK2_HUMAN" 7.72124624252319 "IC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/25414122" "http://www.ncbi.nlm.nih.gov/pubmed/25414122" "INHIBITOR" "Tclin" "Homo sapiens" +"ripasudil" 4938 "Rho-associated protein kinase 1" "Kinase" "Q13464" "ROCK1" "ROCK1_HUMAN" 7.29242992401123 "IC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/25414122" "http://www.ncbi.nlm.nih.gov/pubmed/25414122" "INHIBITOR" "Tclin" "Homo sapiens" +"vaniprevir" 4939 "Genome polyprotein" "Polyprotein" "P26663" "POLG_HCVBK" 10.3010301589966 "Ki" "in vitro NS3 mediated hydrolysis of the peptide substrate using time-resolved fluorescence assay" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/20163176" "http://www.ncbi.nlm.nih.gov/pubmed/20163176" "INHIBITOR" "Hepatitis C virus genotype 1b (isolate BK)" +"vaniprevir" 4939 "Genome polyprotein" "Polyprotein" "Q99IB8" "POLG_HCVJF" 9.04575729370117 "Ki" "in vitro NS3 mediated hydrolysis of the peptide substrate using time-resolved fluorescence assay" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/20163176" "http://www.ncbi.nlm.nih.gov/pubmed/20163176" "INHIBITOR" "Hepatitis C virus genotype 2a (isolate JFH-1)" +"vaniprevir" 4939 "Cathepsin S" "Enzyme" "P25774" "CTSS" "CATS_HUMAN" 4.11 "IC50" "Inhibition of human cathepsin S" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL599872" "Tchem" "Homo sapiens" +"vaniprevir" 4939 "Nonstructural protein NS3-4A" "Unclassified" "A0A0K1CY61" "A0A0K1CY61_9HEPC" 10.3 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL599872" "Hepatitis C virus" +"basiliximab" 4940 "Interleukin-2 receptor subunit alpha" "Membrane receptor" "P01589" "IL2RA" "IL2RA_HUMAN" 10 "Kd" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2001/basnova032301LB.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2001/basnova032301LB.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"palbociclib" 4941 "Cyclin-dependent kinase 4" "Kinase" "P11802" "CDK4" "CDK4_HUMAN" 7.95860719680786 "IC50" "Cdk4/cyclin D1" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/15542782" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207103s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"palbociclib" 4941 "Cyclin-dependent kinase 6" "Kinase" "Q00534" "CDK6" "CDK6_HUMAN" 7.82390880584717 "IC50" "Cdk6/cyclin D2" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/15542782" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207103s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"palbociclib" 4941 "Dual specificity tyrosine-phosphorylation-regulated kinase 1A" "Kinase" "Q13627" "DYRK1A" "DYR1A_HUMAN" 5.69896984100342 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/15542782" "INHIBITOR" "Tchem" "Homo sapiens" +"palbociclib" 4941 "Ribosomal protein S6 kinase alpha-1" "Kinase" "Q15418" "RPS6KA1" "KS6A1_HUMAN" 5.09690999984741 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/15542782" "INHIBITOR" "Tchem" "Homo sapiens" +"palbociclib" 4941 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 5.46 "IC50" "Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL189963" "Tclin" "Homo sapiens" +"palbociclib" 4941 "CDK2/Cyclin A" "Kinase" "P20248|P24941" "CCNA2|CDK2" "CCNA2_HUMAN|CDK2_HUMAN" 6.64 "IC50" "Inhibition of CDK2/cyclinA (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL189963" "Tchem|Tchem" "Homo sapiens" +"palbociclib" 4941 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 7.2 "IC50" "Inhibition of JAK3 (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL189963" "Tclin" "Homo sapiens" +"palbociclib" 4941 "Cyclin-dependent kinase 9" "Kinase" "P50750" "CDK9" "CDK9_HUMAN" 6.1 "IC50" "Inhibition of CDK9 (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL189963" "Homo sapiens" +"palbociclib" 4941 "Cyclin-dependent kinase 4/cyclin D1" "Kinase" "P11802|P24385" "CCND1|CDK4" "CCND1_HUMAN|CDK4_HUMAN" 8.69999980926514 "IC50" "Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL189963" "Tchem|Tclin" "Homo sapiens" +"palbociclib" 4941 "CDK6/cyclin D1" "Kinase" "P24385|Q00534" "CCND1|CDK6" "CCND1_HUMAN|CDK6_HUMAN" 8.42000007629395 "IC50" "Inhibition of CDK6/cyclinD1 (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL189963" "Tchem|Tclin" "Homo sapiens" +"lenvatinib" 4942 "Vascular endothelial growth factor receptor 1" "Kinase" "P17948" "FLT1" "VGFR1_HUMAN" 7.65757751464844 "IC50" "in vitro kinase activity at 1uM ATP" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/17943726" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206947s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"lenvatinib" 4942 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 8.39793968200684 "IC50" "in vitro kinase activity at 1uM ATP" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/17943726" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206947s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"lenvatinib" 4942 "Vascular endothelial growth factor receptor 3" "Kinase" "P35916" "FLT4" "VGFR3_HUMAN" 8.28399658203125 "IC50" "in vitro kinase activity at 1uM ATP" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/17943726" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206947s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"lenvatinib" 4942 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 7.33724212646484 "IC50" "in vitro kinase activity at 1uM ATP" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/17943726" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206947s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"lenvatinib" 4942 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 7.29242992401123 "IC50" "in vitro kinase activity at 1uM ATP" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/17943726" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206947s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"lenvatinib" 4942 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 7.408935546875 "IC50" "in vitro kinase activity at 1uM ATP" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/17943726" "INHIBITOR" "Tclin" "Homo sapiens" +"lenvatinib" 4942 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 7 "IC50" "in vitro kinase activity at 1uM ATP" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/17943726" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206947s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"lenvatinib" 4942 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.18708658218384 "IC50" "in vitro kinase activity at 1uM ATP" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/17943726" "INHIBITOR" "Tclin" "Homo sapiens" +"lenvatinib" 4942 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 8.82 "Ki" "Inhibition of RET (unknown origin)" "CHEMBL" "=" 1 "DRUG LABEL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289601" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206947s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"arformoterol" 4943 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.94692134857178 "Kd" "displacement of [125I]-iodopindololreceptor in Sf9 cells expressing human recombinant beta2" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/12090787" "AGONIST" "Tclin" "Homo sapiens" +"arformoterol" 4943 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 8.53760242462158 "Kd" "displacement of [125I]-iodopindololreceptor in Sf9 cells expressing human recombinant beta2" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/12090787" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021912s013lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"arformoterol" 4943 "Beta-2 adrenergic receptor" "GPCR" "Q8K4Z4" "Adrb2" "ADRB2_CAVPO" 9.9 "EC50" "Agonist activity at guinea pig trachea beta2-adrenergic receptor assessed as relaxation of histamine-induced tracheal ring contraction" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1363" "Cavia porcellus" +"arformoterol" 4943 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 7.6 "EC50" "Agonist activity at human beta3 adrenoceptor transfected in CHO cells assessed as cyclic AMP accumulation after 45 mins by fluorescence polarization assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1363" "Tclin" "Homo sapiens" +"pancreozymin" 4945 "Gastrin/cholecystokinin type B receptor" "GPCR" "P32239" "CCKBR" "GASR_HUMAN" 8.8 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3551" "AGONIST" "Tclin" "Homo sapiens" +"pancreozymin" 4945 "Cholecystokinin receptor type A" "GPCR" "P30551" "Cckar" "CCKAR_RAT" 9.3 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3551" "AGONIST" "Rattus norvegicus" +"pancreozymin" 4945 "Gastrin/cholecystokinin type B receptor" "GPCR" "P30553" "Cckbr" "GASR_RAT" 9.39 "Ki" "Binding affinity for Cholecystokinin type B receptor using [125I]-BH-CCK-8 in rat cortex synaptosomes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1121" "Rattus norvegicus" +"pancreozymin" 4945 "Cholecystokinin receptor type A" "GPCR" "Q63931" "CCKAR" "CCKAR_CAVPO" 9.55 "Ki" "Inhibition of [3H]pCCK-8 binding to Cholecystokinin type A receptor of Guinea pig pancreatic membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1121" "Cavia porcellus" +"pancreozymin" 4945 "Gastrin/cholecystokinin type B receptor" "GPCR" "P56481" "Cckbr" "GASR_MOUSE" 9.52 "IC50" "Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1121" "Mus musculus" +"avibactam" 4946 "Beta-lactamase" "Enzyme" "P05364" "ampC" "AMPC_ENTCL" 8.1549015045166 "Kd" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/23913691" "http://www.ncbi.nlm.nih.gov/pubmed/23913691" "INHIBITOR" "Enterobacter cloacae" +"avibactam" 4946 "Beta-lactamase" "Enzyme" "Q9EXV5" "blaUOE-1" "Q9EXV5_ECOLX" 8.69896984100342 "Kd" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/23913691" "http://www.ncbi.nlm.nih.gov/pubmed/23913691" "INHIBITOR" "Escherichia coli" +"avibactam" 4946 "Beta-lactamase" "Enzyme" "P24735" "ampC" "AMPC_PSEAE" 6.18045616149902 "Kd" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/23913691" "http://www.ncbi.nlm.nih.gov/pubmed/23913691" "INHIBITOR" "Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)" +"isavuconazonium" 4947 "Aspergillus fumigatus" "Fungi" 5.22184896469116 "ED50" "iv administration in rat immunosuppressed model ED50(umol/kg) measures on Day 14" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/12482421" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207500Orig1s000lbl.pdf" "MINIMUM INHIBITORY CONCENTRATION" +"isavuconazonium" 4947 "Candida albicans" "Fungi" 5.82390880584717 "ED50" "iv administration in rat model (C. albicans CY3003) ED50(umol/kg) measures on Day 14" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/12482421" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207500Orig1s000lbl.pdf" "MINIMUM INHIBITORY CONCENTRATION" +"dinutuximab" 4948 "glycolipid disialoganglioside (GD2)" "Glycolipid" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125516s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125516s000lbl.pdf" "ANTIBODY BINDING" +"belimumab" 4949 "Tumor necrosis factor ligand superfamily member 13B" "Cytokine" "Q9Y275" "TNFSF13B" "TN13B_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125370s053lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125370s053lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"abciximab" 4950 "Integrin alpha-IIb/beta-3" "Adhesion" "P05106|P08514" "ITGA2B|ITGB3" "ITA2B_HUMAN|ITB3_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/103575s5126lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/103575s5126lbl.pdf" "ANTIBODY BINDING" "Tclin|Tclin" "Homo sapiens" +"ofatumumab" 4951 "B-lymphocyte antigen CD20" "Surface antigen" "P11836" "MS4A1" "CD20_HUMAN" 9.92 "Kd" "Binding affinity for clone 2F2 ((HuMax-CD20)." "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6778" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125326s060lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"canakinumab" 4952 "Interleukin-1 beta" "Cytokine" "P01584" "IL1B" "IL1B_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125319s081lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125319s081lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"daclizumab" 4953 "Interleukin-2 receptor" "Membrane receptor" "P01589|P14784|P31785" "IL2RA|IL2RB|IL2RG" "IL2RA_HUMAN|IL2RB_HUMAN|IL2RG_HUMAN" 8 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6880" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2005/103749s5059lbl.pdf" "ANTIBODY BINDING" "Tclin|Tclin|Tclin" "Homo sapiens" +"cetuximab" 4954 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 9.41 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6882" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125084s063lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"panitumumab" 4955 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 10.3 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6883" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125147s200lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"bevacizumab" 4956 "Vascular endothelial growth factor A" "Secreted" "P15692" "VEGFA" "VEGFA_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125085s305lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125085s305lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"pertuzumab" 4957 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" "UNKNOWN" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125409s104lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"ipilimumab" 4958 "Cytotoxic T-lymphocyte protein 4" "Surface antigen" "P16410" "CTLA4" "CTLA4_HUMAN" "UNKNOWN" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125377s055lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"efalizumab" 4959 "Leukocyte adhesion glycoprotein LFA-1 alpha" "Adhesion" "P20701" "ITGAL" "ITAL_HUMAN" 11.4 "Kd" "Binding of humanized MHM24 to human CD11a on Jurkat cells." "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6593" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2009/125075s130lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"insulin degludec" 4960 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/002498/WC500138940.pdf" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/002498/WC500138940.pdf" "AGONIST" "Tclin" "Homo sapiens" +"raxibacumab" 4961 "Protective antigen" "Secreted" "P13423" "pagA" "PAG_BACAN" 8.5559549331665 "Kd" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/125349s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/125349s000lbl.pdf" "ANTIBODY BINDING" "Bacillus anthracis" +"brentuximab vedotin" 4964 "Tubulin beta" "Tumour-associated antigen" "P04350|P07437|P68371|Q13509|Q13885|Q3ZCM7|Q9BUF5|Q9BVA1|Q9H4B7" "TUBB|TUBB1|TUBB2A|TUBB2B|TUBB3|TUBB4A|TUBB4B|TUBB6|TUBB8" "TBB1_HUMAN|TBB2A_HUMAN|TBB2B_HUMAN|TBB3_HUMAN|TBB4A_HUMAN|TBB4B_HUMAN|TBB5_HUMAN|TBB6_HUMAN|TBB8_HUMAN" "microtubule disrupting agent auristatin E" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125388_S056S078lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125388_S056S078lbl.pdf" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"brentuximab vedotin" 4964 "Tumor necrosis factor receptor superfamily member 8" "Membrane receptor" "P28908" "TNFRSF8" "TNR8_HUMAN" "antibody binding to CD30-expressing cells" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125388_S056S078lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125388_S056S078lbl.pdf" "BINDING AGENT" "Tclin" "Homo sapiens" +"denosumab" 4965 "Tumor necrosis factor ligand superfamily member 11" "Cytokine" "O14788" "TNFSF11" "TNF11_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125320s170lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125320s170lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"ustekinumab" 4966 "Interleukin-12" "Cytokine" "P29459|P29460" "IL12A|IL12B" "IL12A_HUMAN|IL12B_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125261s114lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125261s114lbl.pdf" "ANTIBODY BINDING" "Tclin|Tclin" "Homo sapiens" +"ustekinumab" 4966 "Interleukin-23" "Cytokine" "P29460|Q9NPF7" "IL12B|IL23A" "IL12B_HUMAN|IL23A_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125261s114lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125261s114lbl.pdf" "ANTIBODY BINDING" "Tclin|Tclin" "Homo sapiens" +"golimumab" 4967 "Tumor necrosis factor" "Cytokine" "P01375" "TNF" "TNFA_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125289s094lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125289s094lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"certolizumab pegol" 4968 "Tumor necrosis factor" "Cytokine" "P01375" "TNF" "TNFA_HUMAN" 10.0457572937012 "Kd" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125160s215lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125160s215lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"eculizumab" 4969 "Complement C5" "Secreted" "P01031" "C5" "CO5_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125166s368s380lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125166s368s380lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"natalizumab" 4970 "Integrin alpha-4/beta-1" "Adhesion" "P05556|P13612" "ITGA4|ITGB1" "ITA4_HUMAN|ITB1_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125104s840s847s889lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125104s840s847s889lbl.pdf" "ANTIBODY BINDING" "Tclin|Tclin" "Homo sapiens" +"natalizumab" 4970 "Integrin alpha-4/beta-7" "Adhesion" "P13612|P26010" "ITGA4|ITGB7" "ITA4_HUMAN|ITB7_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125104s840s847s889lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125104s840s847s889lbl.pdf" "ANTIBODY BINDING" "Tclin|Tclin" "Homo sapiens" +"ranibizumab" 4971 "Vascular endothelial growth factor A" "Secreted" "P15692" "VEGFA" "VEGFA_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125156s106lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125156s106lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"omalizumab" 4972 "Ig epsilon chain C region" "Antibody" "P01854" "IGHE" "IGHE_HUMAN" 8.16 "Kd" "In vitro binding affinity" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6890" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/103976s5161lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"chidamide" 4973 "Histone deacetylase 1" "Enzyme" "Q13547" "HDAC1" "HDAC1_HUMAN" 7.02227640151978 "IC50" "HDAC enzyme inhibition assay using BSA substrate" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/22080169" "http://www.ncbi.nlm.nih.gov/pubmed/22080169" "INHIBITOR" "Tclin" "Homo sapiens" +"chidamide" 4973 "Histone deacetylase 2" "Enzyme" "Q92769" "HDAC2" "HDAC2_HUMAN" 6.79587984085083 "IC50" "HDAC enzyme inhibition assay using BSA substrate" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/22080169" "http://www.ncbi.nlm.nih.gov/pubmed/22080169" "INHIBITOR" "Tclin" "Homo sapiens" +"chidamide" 4973 "Histone deacetylase 3" "Enzyme" "O15379" "HDAC3" "HDAC3_HUMAN" 7.17392539978027 "IC50" "HDAC enzyme inhibition assay using BSA substrate" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/22080169" "http://www.ncbi.nlm.nih.gov/pubmed/22080169" "INHIBITOR" "Tclin" "Homo sapiens" +"chidamide" 4973 "Histone deacetylase 10" "Enzyme" "Q969S8" "HDAC10" "HDA10_HUMAN" 7.10790538787842 "IC50" "HDAC enzyme inhibition assay using BSA substrate" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/22080169" "http://www.ncbi.nlm.nih.gov/pubmed/22080169" "INHIBITOR" "Tclin" "Homo sapiens" +"chidamide" 4973 "Histone deacetylase 8" "Enzyme" "Q9BY41" "HDAC8" "HDAC8_HUMAN" 6.13489580154419 "IC50" "HDAC enzyme inhibition assay using BSA substrate" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/22080169" "INHIBITOR" "Tclin" "Homo sapiens" +"chidamide" 4973 "Histone deacetylase 11" "Enzyme" "Q96DB2" "HDAC11" "HDA11_HUMAN" 6.36451625823975 "IC50" "HDAC enzyme inhibition assay using BSA substrate" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/22080169" "INHIBITOR" "Tclin" "Homo sapiens" +"infliximab" 4974 "Tumor necrosis factor" "Cytokine" "P01375" "TNF" "TNFA_HUMAN" "UNKNOWN" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/103772s5370lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"rituximab" 4975 "B-lymphocyte antigen CD20" "Surface antigen" "P11836" "MS4A1" "CD20_HUMAN" 8.51 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6780" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/103705s5432lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"triamcinolone hexacetonide" 4976 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/016466s046lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/016466s046lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"siltuximab" 4977 "Interleukin-6" "Cytokine" "P05231" "IL6" "IL6_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125496s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125496s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"etanercept" 4978 "Tumor necrosis factor" "Cytokine" "P01375" "TNF" "TNFA_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/103795s5548lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/103795s5548lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"trastuzumab" 4979 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/103792s5311lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/103792s5311lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"gemtuzumab ozogamicin" 4980 "Myeloid cell surface antigen CD33" "Surface antigen" "P20138" "CD33" "CD33_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2006/021174s020lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2006/021174s020lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"gemtuzumab ozogamicin" 4980 "DNA" "DNA" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2006/021174s020lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2006/021174s020lbl.pdf" "OTHER" +"insulin aspart" 4981 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/020986s059s081lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/020986s059s081lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"vedolizumab" 4982 "Integrin alpha-4/beta-7" "Adhesion" "P13612|P26010" "ITGA4|ITGB7" "ITA4_HUMAN|ITB7_HUMAN" 8.30000019073486 "IC50" "Mechanism of Action" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7437" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125476s000lbl.pdf" "ANTIBODY BINDING" "Tclin|Tclin" "Homo sapiens" +"obinutuzumab" 4983 "B-lymphocyte antigen CD20" "Surface antigen" "P11836" "MS4A1" "CD20_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125486_s008lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125486_s008lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"ibritumomab tiuxetan" 4984 "B-lymphocyte antigen CD20" "Surface antigen" "P11836" "MS4A1" "CD20_HUMAN" 7.85387182235718 "Kd" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125019s210s213lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125019s210s213lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"insulin detemir" 4985 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/021536s031s051lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/021536s031s051lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"pegfilgrastim" 4986 "Granulocyte colony-stimulating factor receptor" "Membrane receptor" "Q99062" "CSF3R" "CSF3R_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2007/125031s082lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2007/125031s082lbl.pdf" "ACTIVATOR" "Tclin" "Homo sapiens" +"filgrastim" 4987 "Granulocyte colony-stimulating factor receptor" "Membrane receptor" "Q99062" "CSF3R" "CSF3R_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/103353s5184lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/103353s5184lbl.pdf" "ACTIVATOR" "Tclin" "Homo sapiens" +"deoxycholic acid" 4988 "Cell membrane" "Cell membrane" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206333Orig1s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206333Orig1s000lbl.pdf" "OTHER" +"deoxycholic acid" 4988 "Steroid Delta-isomerase" "Unclassified" "P07445" "ksi" "SDIS_PSEPU" 4.8 "Kd" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL406393" "Pseudomonas putida" +"deoxycholic acid" 4988 "fMet-Leu-Phe receptor" "GPCR" "P21462" "FPR1" "FPR1_HUMAN" 4 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=610" "ANTAGONIST" "Tchem" "Homo sapiens" +"deoxycholic acid" 4988 "G-protein coupled bile acid receptor 1" "GPCR" "Q8TDU6" "GPBAR1" "GPBAR_HUMAN" 6.2 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=610" "AGONIST" "Tchem" "Homo sapiens" +"velaglucerase alfa" 4989 "glucocerebroside" "Metabolite" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/022575s012lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/022575s012lbl.pdf" "HYDROLYTIC ENZYME" +"trastuzumab emtansine" 4990 "Tubulin beta" "Tumour-associated antigen" "P04350|P07437|P68371|Q13509|Q13885|Q3ZCM7|Q9BUF5|Q9BVA1|Q9H4B7" "TUBB|TUBB1|TUBB2A|TUBB2B|TUBB3|TUBB4A|TUBB4B|TUBB6|TUBB8" "TBB1_HUMAN|TBB2A_HUMAN|TBB2B_HUMAN|TBB3_HUMAN|TBB4A_HUMAN|TBB4B_HUMAN|TBB5_HUMAN|TBB6_HUMAN|TBB8_HUMAN" "microtubule destabilizing agent maytansine derivative" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125427s033lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125427s033lbl.pdf" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"trastuzumab emtansine" 4990 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" "binding to sub-domain IV of the HER2 receptor" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125427s033lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125427s033lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"lipegfilgrastim" 4991 "Granulocyte colony-stimulating factor receptor" "Membrane receptor" "Q99062" "CSF3R" "CSF3R_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/002556/WC500148380.pdf" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/002556/WC500148380.pdf" "ACTIVATOR" "Tclin" "Homo sapiens" +"vonoprazan" 4993 "Potassium-transporting ATPase" "Transporter" "P20648|P51164" "ATP4A|ATP4B" "ATP4A_HUMAN|ATP4B_HUMAN" 8 "Ki" "[14C]TAK-438 binding" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/21828261" "http://www.ncbi.nlm.nih.gov/pubmed/21828261" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"rasburicase" 4994 "uric acid" "Metabolite" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2009/103946s5083lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2009/103946s5083lbl.pdf" "OXIDATIVE ENZYME" +"epoetin alfa" 4995 "Erythropoietin receptor" "Membrane receptor" "P19235" "EPOR" "EPOR_HUMAN" 11.15 "IC50" "Assay performed using recombinant human EPO" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4921" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/103234s5323lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"romiplostim" 4996 "Thrombopoietin receptor" "Membrane receptor" "P40238" "MPL" "TPOR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125268s141lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125268s141lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"laronidase" 4997 "glycosaminoglycans" "Metabolite" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125058s220lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125058s220lbl.pdf" "HYDROLYTIC ENZYME" +"elosulfase alfa" 4999 "glycosaminoglycans" "Metabolite" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125460s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125460s000lbl.pdf" "HYDROLYTIC ENZYME" +"evolocumab" 5000 "Proprotein convertase subtilisin/kexin type 9" "Enzyme" "Q8NBP7" "PCSK9" "PCSK9_HUMAN" 9.72 "Kd" "Dissociation equilibrium constant for wild-type hPCSK9, measured using proprietary BIACore® technology." "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7343" "http://www.ncbi.nlm.nih.gov/pubmed/23083772" "INHIBITOR" "Tclin" "Homo sapiens" +"eluxadoline" 5001 "Kappa-type opioid receptor" "GPCR" "P41144" "OPRK1" "OPRK_CAVPO" 7.25963735580444 "Ki" "DRUG LABEL" "=" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206940s000lbl.pdf" "AGONIST" "Cavia porcellus" +"eluxadoline" 5001 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 8.76955127716065 "Ki" "Recombinantly expressed human mu OR" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/22671931" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206940s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"eluxadoline" 5001 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 7.25963735580444 "Ki" "Recombinantly expressed human kappa OR" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/22671931" "AGONIST" "Tclin" "Homo sapiens" +"eluxadoline" 5001 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 8.88605690002441 "Ki" "equivalent to DPDPE in human SK-N-BE cells" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/22671931" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206940s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"eluxadoline" 5001 "Delta-type opioid receptor" "GPCR" "P33533" "Oprd1" "OPRD_RAT" 8.89 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2159122" "Rattus norvegicus" +"eluxadoline" 5001 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 9.05 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2159122" "Rattus norvegicus" +"insulin lispro" 5002 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/020563s124lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/020563s124lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"insulin human" 5003 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/018780s150lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/018780s150lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"insulin human" 5003 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 4.73999977111816 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201539" "Tclin" "Homo sapiens" +"insulin human" 5003 "Insulin receptor" "Unclassified" "P15127" "Insr" "INSR_RAT" 8.71 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201539" "Rattus norvegicus" +"ocriplasmin" 5004 "laminin, fibronectin and collagen" "Metabolite" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125422s025lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125422s025lbl.pdf" "HYDROLYTIC ENZYME" +"mirodenafil" 5005 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "O76074" "PDE5A" "PDE5A_HUMAN" 9.46852111816406 "IC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://dx.doi.org/10.1002/jlcr.1116" "http://www.ncbi.nlm.nih.gov/pubmed/18638004" "INHIBITOR" "Tclin" "Homo sapiens" +"cangrelor" 5006 "P2Y purinoceptor 12" "GPCR" "Q9H244" "P2RY12" "P2Y12_HUMAN" 8.62708759307861 "IC50" "cAMP accumulation in HORK3-expressing cells" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/11502873" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/204958lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"cangrelor" 5006 "P2Y purinoceptor 13" "GPCR" "Q9BPV8" "P2RY13" "P2Y13_HUMAN" 8.3 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1776" "ANTAGONIST" "Tchem" "Homo sapiens" +"cangrelor" 5006 "Uracil nucleotide/cysteinyl leukotriene receptor" "Unclassified" "Q6NS65" "Gpr17" "GPR17_MOUSE" 8.92 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=1776" "ANTAGONIST" "Mus musculus" +"epoetin theta" 5007 "Erythropoietin receptor" "Membrane receptor" "P19235" "EPOR" "EPOR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/001033/WC500043300.pdf" "AGONIST" "Tclin" "Homo sapiens" +"sonidegib" 5008 "Smoothened homolog" "GPCR" "Q99835" "SMO" "SMO_HUMAN" 8.221848487854 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/23063522" "http://www.ncbi.nlm.nih.gov/pubmed/22042473" "ANTAGONIST" "Tclin" "Homo sapiens" +"sonidegib" 5008 "Sonic hedgehog protein" "Enzyme" "Q62226" "Shh" "SHH_MOUSE" 8.26 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2105737" "Mus musculus" +"mecasermin" 5009 "Insulin-like growth factor 1 receptor" "Kinase" "P08069" "IGF1R" "IGF1R_HUMAN" 8.30980396270752 "IC50" "human placental type 1 IGF receptor" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/2472386" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021839s016lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"mecasermin" 5009 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" 5.85387182235718 "IC50" "human placental insulin receptor" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/2472386" "Tclin" "Homo sapiens" +"lumacaftor" 5010 "Cystic fibrosis transmembrane conductance regulator" "Ion channel" "P13569" "CFTR" "CFTR_HUMAN" 6.45593214035034 "EC50" "human bronchial epithelial (HBE) cells with CF homozygous for the F508del CFTR mutation" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/21976485" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206038Orig1s000lbl.pdf" "PHARMACOLOGICAL CHAPERONE" "Tclin" "Homo sapiens" +"aldesleukin" 5011 "Interleukin-2 receptor" "Membrane receptor" "P01589|P14784|P31785" "IL2RA|IL2RB|IL2RG" "IL2RA_HUMAN|IL2RB_HUMAN|IL2RG_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/103293s5130lbl.pdf" "AGONIST" "Tclin|Tclin|Tclin" "Homo sapiens" +"sacubitril" 5012 "Neprilysin" "Enzyme" "P08473" "MME" "NEP_HUMAN" "UNKNOWN" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207620Orig1s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"trelagliptin" 5013 "Dipeptidyl peptidase 4" "Enzyme" "P27487" "DPP4" "DPP4_HUMAN" 8.39793968200684 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/21186796" "http://www.ncbi.nlm.nih.gov/pubmed/26115728" "INHIBITOR" "Tclin" "Homo sapiens" +"brexpiprazole" 5014 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.795880017 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/24947465" "AGONIST" "Tclin" "Homo sapiens" +"brexpiprazole" 5014 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.200659451 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/24947465" "AGONIST" "Tchem" "Homo sapiens" +"brexpiprazole" 5014 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.494850022 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/24947465" "Tclin" "Homo sapiens" +"brexpiprazole" 5014 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.468521083 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/24947465" "Tclin" "Homo sapiens" +"brexpiprazole" 5014 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 6.853871964 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/24947465" "Tchem" "Homo sapiens" +"brexpiprazole" 5014 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.236572006 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/24947465" "Tchem" "Homo sapiens" +"brexpiprazole" 5014 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.420216403 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/24947465" "Tclin" "Homo sapiens" +"brexpiprazole" 5014 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.823908741 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/24947465" "Tclin" "Homo sapiens" +"brexpiprazole" 5014 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.769551079 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/24947465" "Tclin" "Homo sapiens" +"brexpiprazole" 5014 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 7.229147988 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/24947465" "Tclin" "Homo sapiens" +"brexpiprazole" 5014 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 7.173925197 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/24947465" "Tclin" "Homo sapiens" +"brexpiprazole" 5014 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.537602002 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/24947465" "INHIBITOR" "Tclin" "Homo sapiens" +"brexpiprazole" 5014 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.8569852 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/24947465" "INHIBITOR" "Tclin" "Homo sapiens" +"brexpiprazole" 5014 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.024568191 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/24947465" "INHIBITOR" "Tclin" "Homo sapiens" +"brexpiprazole" 5014 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.52287864685059 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/24947465" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205422s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"brexpiprazole" 5014 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.95860767364502 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/24947465" "AGONIST" "Tclin" "Homo sapiens" +"brexpiprazole" 5014 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 9.92081832885742 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/24947465" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205422s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"brexpiprazole" 5014 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.32790184020996 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/24947465" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205422s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"brexpiprazole" 5014 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.72124671936035 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/24947465" "ANTAGONIST" "Tclin" "Homo sapiens" +"brexpiprazole" 5014 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 9.76955127716064 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/24947465" "ANTAGONIST" "Tclin" "Homo sapiens" +"brexpiprazole" 5014 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 9.22914791107178 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/24947465" "ANTAGONIST" "Tclin" "Homo sapiens" +"brexpiprazole" 5014 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.72124624252319 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/24947465" "ANTAGONIST" "Tclin" "Homo sapiens" +"brexpiprazole" 5014 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 8.43179798126221 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/24947465" "ANTAGONIST" "Tclin" "Homo sapiens" +"brexpiprazole" 5014 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.58502674102783 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/24947465" "ANTAGONIST" "Tclin" "Homo sapiens" +"pegvisomant" 5015 "Growth hormone receptor" "GPCR" "P10912" "GHR" "GHR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/021106s036lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"alirocumab" 5016 "Proprotein convertase subtilisin/kexin type 9" "Enzyme" "Q8NBP7" "PCSK9" "PCSK9_HUMAN" 9.42 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6744" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125559Orig1s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"anakinra" 5017 "Interleukin-1 receptor, type I" "Membrane receptor" "P14778|Q9NPH3" "IL1R1|IL1RAP" "IL1AP_HUMAN|IL1R1_HUMAN" 7.82000017166138 "Kd" "Mechanism of Action" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6972" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/103950s5150lbl.pdf" "ANTAGONIST" "Tclin|Tclin" "Homo sapiens" +"agalsidase beta" 5018 "globotriaosylceramide (GL-3)" "Metabolite" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2010/103979s5135lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2010/103979s5135lbl.pdf" "HYDROLYTIC ENZYME" +"agalsidase alfa" 5021 "globotriaosylceramide (GL-3)" "Metabolite" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/000369/WC500053612.pdf" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/000369/WC500053612.pdf" "HYDROLYTIC ENZYME" +"flibanserin" 5022 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 9 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/12177684" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/022526lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"flibanserin" 5022 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.30980396270752 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/12177684" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/022526lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"flibanserin" 5022 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.39793968200684 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/12177684" "ANTAGONIST" "Tchem" "Homo sapiens" +"flibanserin" 5022 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.515700340271 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/12177684" "Tclin" "Homo sapiens" +"flibanserin" 5022 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.43889856338501 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/12177684" "Tclin" "Homo sapiens" +"flibanserin" 5022 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.04914855957031 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/20840530" "ANTAGONIST" "Tclin" "Homo sapiens" +"flibanserin" 5022 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.054039478302 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/20840530" "ANTAGONIST" "Tclin" "Homo sapiens" +"flibanserin" 5022 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 6.09258842468262 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/20840530" "Tchem" "Homo sapiens" +"sargramostim" 5025 "Granulocyte macrophage colony-stimulating factor receptor" "Membrane receptor" "P15509|P32927" "CSF2RA|CSF2RB" "CSF2R_HUMAN|IL3RB_HUMAN" 8.30103015899658 "Kd" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/2001448" "http://www.ncbi.nlm.nih.gov/pubmed/2001448" "AGONIST" "Tclin|Tclin" "Homo sapiens" +"oprelvekin" 5026 "Interleukin-11 receptor" "Membrane receptor" "P40189|Q14626" "IL11RA|IL6ST" "I11RA_HUMAN|IL6RB_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2009/103694s1008lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2009/103694s1008lbl.pdf" "AGONIST" "Tclin|Tclin" "Homo sapiens" +"rolapitant" 5027 "Substance-P receptor" "GPCR" "P25103" "TACR1" "NK1R_HUMAN" 9.18045616149902 "Ki" "CHO cells expressing the human NK1 receptor" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/22497992" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206500s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"sebelipase alfa" 5028 "Triglycerides" "Metabolite" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/004004/WC500192715.pdf" "HYDROLYTIC ENZYME" +"sebelipase alfa" 5028 "Cholesteryl esters" "Metabolite" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/004004/WC500192715.pdf" "HYDROLYTIC ENZYME" +"alglucosidase alfa" 5030 "glycogen" "Metabolite" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125141s219lbl.pdf" "HYDROLYTIC ENZYME" +"mogamulizumab" 5031 "C-C chemokine receptor type 4" "GPCR" "P51679" "CCR4" "CCR4_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/22686619" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"hyaluronidase" 5033 "hyaluronic acid" "Metabolite" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/021665s005lbl.pdf" "HYDROLYTIC ENZYME" +"cariprazine" 5037 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 10.0699996948242 "Ki" "CHO cells, [3H]Spiperone (0.7nM)" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/20093397" "PARTIAL AGONIST" "Tclin" "Homo sapiens" +"cariprazine" 5037 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.3100004196167 "Ki" "CHO cells, [3H]Spiperone (0.16nM)" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/20093397" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/204370lbl.pdf" "PARTIAL AGONIST" "Tclin" "Homo sapiens" +"cariprazine" 5037 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.59000015258789 "Ki" "CHO cells, [3H]8-OH-DPAT (1.5nM)" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/20093397" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/204370lbl.pdf" "PARTIAL AGONIST" "Tclin" "Homo sapiens" +"cariprazine" 5037 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.73000001907349 "Ki" "CHO-K1 cells, [3H]Ketanserine (0.5nM)" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/20093397" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/204370lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"cariprazine" 5037 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 9.23999977111816 "Ki" "CHO-K1 cells, [3H]LSD (1.2nM)" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/20093397" "ANTAGONIST" "Tclin" "Homo sapiens" +"cariprazine" 5037 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.86999988555908 "Ki" "CHO-K1 cells, [3H]Mesulergine (1.0nM)" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/20093397" "ANTAGONIST" "Tclin" "Homo sapiens" +"cariprazine" 5037 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 6.94999980926514 "Ki" "CHO cells, [3H]LSD (1.5nM)" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/20093397" "Tclin" "Homo sapiens" +"cariprazine" 5037 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.63000011444092 "Ki" "CHO-1 cells, [3H]Pyrilamine (1.5nM)" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/20093397" "ANTAGONIST" "Tclin" "Homo sapiens" +"cariprazine" 5037 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.67999982833862 "Ki" "HEK-293 cells, [3H]Prazosin (0.6nM)" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/20093397" "Tclin" "Homo sapiens" +"cariprazine" 5037 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.67999982833862 "Ki" "Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293 cells by competitive binding assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2024517" "Tclin" "Homo sapiens" +"cariprazine" 5037 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 8.8 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2024517" "Rattus norvegicus" +"cariprazine" 5037 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 7.8 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2024517" "Rattus norvegicus" +"tannic acid" 5039 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 7.65999984741211 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL506247" "Tclin" "Homo sapiens" +"tannic acid" 5039 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 7.09999990463257 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL506247" "Tclin" "Homo sapiens" +"tannic acid" 5039 "Mitogen-activated protein kinase 1" "Kinase" "P28482" "MAPK1" "MK01_HUMAN" 6.73000001907349 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL506247" "Tchem" "Homo sapiens" +"tannic acid" 5039 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 6.48999977111816 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL506247" "Tchem" "Homo sapiens" +"tannic acid" 5039 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 6.42999982833862 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL506247" "Tchem" "Homo sapiens" +"tannic acid" 5039 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 6.03999996185303 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL506247" "Tchem" "Homo sapiens" +"tannic acid" 5039 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P04035" "HMGCR" "HMDH_HUMAN" 5.5 "IC50" "DRUGMATRIX: HMG-CoA Reductase enzyme inhibition (substrate: [14C]HMG-CoA)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL506247" "Tclin" "Homo sapiens" +"tannic acid" 5039 "Mitogen-activated protein kinase 3" "Kinase" "P27361" "MAPK3" "MK03_HUMAN" 5.3899998664856 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL506247" "Tchem" "Homo sapiens" +"tannic acid" 5039 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.34000015258789 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL506247" "Tchem" "Homo sapiens" +"tannic acid" 5039 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "O76074" "PDE5A" "PDE5A_HUMAN" 5.32999992370606 "IC50" "DRUGMATRIX: Phosphodiesterase PDE5 enzyme inhibition (substrate: [3H]cGMP + cGMP)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL506247" "Tclin" "Homo sapiens" +"tannic acid" 5039 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 4.75 "Ki" "Inhibition of human CA6 using 4-nitrophenylacetate substrate by esterase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL506247" "Tclin" "Homo sapiens" +"tannic acid" 5039 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 4.48000001907349 "Ki" "Inhibition of human CA2 using 4-nitrophenylacetate substrate by esterase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL506247" "Tclin" "Homo sapiens" +"tannic acid" 5039 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 4.11999988555908 "Ki" "Inhibition of human CA1 using 4-nitrophenylacetate substrate by esterase assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL506247" "Tclin" "Homo sapiens" +"tannic acid" 5039 "Leukotriene C4 synthase" "Unclassified" "A6XA80" "LTC4S" "LTC4S_CAVPO" 5.57 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL506247" "Cavia porcellus" +"tannic acid" 5039 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 6.46 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL506247" "Rattus norvegicus" +"tannic acid" 5039 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 6.57 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL506247" "Oryctolagus cuniculus" +"tannic acid" 5039 "Carbonic anhydrase" "Unclassified" "Q2PCB5" "ca" "Q2PCB5_DICLA" 5.03 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL506247" "Dicentrarchus labrax" +"somatrem" 5042 "Growth hormone receptor" "GPCR" "P10912" "GHR" "GHR_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/6285914" "AGONIST" "Tclin" "Homo sapiens" +"reteplase" 5044 "Plasminogen" "Enzyme" "P00747" "PLG" "PLMN_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/8891469" "ACTIVATOR" "Tclin" "Homo sapiens" +"cobimetinib" 5046 "Dual specificity mitogen-activated protein kinase kinase 1" "Kinase" "Q02750" "MAP2K1" "MP2K1_HUMAN" 9.04575729370117 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/24900486" "http://www.ncbi.nlm.nih.gov/pubmed/22084396" "INHIBITOR" "Tclin" "Homo sapiens" +"cobimetinib" 5046 "Dual specificity mitogen-activated protein kinase kinase 2" "Kinase" "P36507" "MAP2K2" "MP2K2_HUMAN" 6.7 "IC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7626" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" +"saroglitazar" 5047 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 9.187087059021 "EC50" "PPRE-luc transactivation assay in HepG2 cells transfected with hPPAR-alpha and hPPAR-gamma receptors" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/26171220" "http://www.ncbi.nlm.nih.gov/pubmed/26171220" "AGONIST" "Tclin" "Homo sapiens" +"saroglitazar" 5047 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 8.52287864685059 "EC50" "PPRE-luc transactivation assay in HepG2 cells transfected with hPPAR-alpha and hPPAR-gamma receptors" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/26171220" "http://www.ncbi.nlm.nih.gov/pubmed/26171220" "AGONIST" "Tclin" "Homo sapiens" +"pitolisant" 5048 "Histamine H3 receptor" "GPCR" "Q9Y5N1" "HRH3" "HRH3_HUMAN" 9.79588031768799 "Ki" "[35S]GTP-gamma-S binding in HEK-293 cells stably expressing the human H3" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/17005916" "http://www.ncbi.nlm.nih.gov/pubmed/21615387" "INVERSE AGONIST" "Tclin" "Homo sapiens" +"pitolisant" 5048 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.94000005722046 "Ki" "Displacement of [3H]pyrilamine from human H1 receptor expressed in CHO cell membrane after 120 mins by liquid scintillation counting analysis" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL462605" "Tclin" "Homo sapiens" +"pitolisant" 5048 "Histamine H3 receptor" "GPCR" "Q9QYN8" "Hrh3" "HRH3_RAT" 7.77 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL462605" "Rattus norvegicus" +"collagenase" 5051 "collagen" "Metabolite" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125338s085s087s088lbl.pdf" "HYDROLYTIC ENZYME" +"aripiprazole lauroxil" 5052 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.46852111816406 "Ki" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207533s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207533s000lbl.pdf" "PARTIAL AGONIST" "Tclin" "Homo sapiens" +"aripiprazole lauroxil" 5052 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.76955127716065 "Ki" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207533s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207533s000lbl.pdf" "PARTIAL AGONIST" "Tclin" "Homo sapiens" +"aripiprazole lauroxil" 5052 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.46852111816406 "Ki" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207533s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207533s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"aripiprazole lauroxil" 5052 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.09691047668457 "Ki" "DRUG LABEL" "=" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207533s000lbl.pdf" "Tclin" "Homo sapiens" +"aripiprazole lauroxil" 5052 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.35654735565186 "Ki" "DRUG LABEL" "=" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207533s000lbl.pdf" "Tchem" "Homo sapiens" +"aripiprazole lauroxil" 5052 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.82390880584717 "Ki" "DRUG LABEL" "=" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207533s000lbl.pdf" "Tclin" "Homo sapiens" +"aripiprazole lauroxil" 5052 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 7.408935546875 "Ki" "DRUG LABEL" "=" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207533s000lbl.pdf" "Tclin" "Homo sapiens" +"aripiprazole lauroxil" 5052 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.21467018127441 "Ki" "DRUG LABEL" "=" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207533s000lbl.pdf" "Tclin" "Homo sapiens" +"aripiprazole lauroxil" 5052 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 7.7 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" +"aripiprazole lauroxil" 5052 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 7.2 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" +"aripiprazole lauroxil" 5052 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.1 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" +"aripiprazole lauroxil" 5052 "D(4) dopamine receptor" "GPCR" "P30729" "Drd4" "DRD4_RAT" 7.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" +"aripiprazole lauroxil" 5052 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 6.8 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" +"aripiprazole lauroxil" 5052 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 7.8 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" +"aripiprazole lauroxil" 5052 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 9.7 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" +"omarigliptin" 5054 "Dipeptidyl peptidase 4" "Enzyme" "P27487" "DPP4" "DPP4_HUMAN" 9.09691047668457 "Ki" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/24660890" "http://www.ncbi.nlm.nih.gov/pubmed/24660890" "INHIBITOR" "Tclin" "Homo sapiens" +"omarigliptin" 5054 "Dipeptidyl peptidase 4" "Enzyme" "P28843" "Dpp4" "DPP4_MOUSE" 7.36 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2105762" "Mus musculus" +"patiromer calcium" 5056 "potassium" "Inorganic material" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205739s000lbl.pdf" "CHELATING AGENT" +"insulin glulisine" 5057 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/021629s030lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"lusutrombopag" 5059 "Thrombopoietin receptor" "Membrane receptor" "P40238" "MPL" "TPOR_HUMAN" 7.0757207139 "EC50" "Mechanism of Action; cell proliferation; recombinant human TPO" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/29274361" "http://dx.doi.org/10.1016/S0168-8278(14)61094-1" "AGONIST" "Tclin" "Homo sapiens" +"esflurbiprofen" 5060 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.03999996185303 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL435298" "Tclin" "Homo sapiens" +"esflurbiprofen" 5060 "Prostaglandin G/H synthase 1" "Enzyme" "Q63921" "Ptgs1" "PGH1_RAT" 7.52 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL435298" "Rattus norvegicus" +"mepolizumab" 5061 "Interleukin-5" "Cytokine" "P05113" "IL5" "IL5_HUMAN" 10 "Kd" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125526Orig1s000Lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125526Orig1s000Lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"osimertinib" 5062 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 7.82390880584717 "IC50" "Inhibition of EGFR phosphorylation in double mutant cell line H1975" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/25271963" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/208065s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"osimertinib" 5062 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" 6.03999996185303 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3353410" "Tclin" "Homo sapiens" +"osimertinib" 5062 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.78999996185303 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3353410" "Tclin" "Homo sapiens" +"daratumumab" 5063 "Lymphocyte differentiation antigen CD38" "Tumour-associated antigen" "P28907" "CD38" "CD38_HUMAN" 8.22 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7395" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/761036Orig1s000lbledt.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"trenbolone hexahydrobenzylcarbonate" 5065 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 8.58 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL197309" "Rattus norvegicus" +"tenecteplase" 5066 "Plasminogen" "Enzyme" "P00747" "PLG" "PLMN_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.fda.gov/downloads/Drugs/DevelopmentApprovalProcess/HowDrugsareDevelopedandApproved/ApprovalApplications/TherapeuticBiologicApplications/UCM200875.pdf" "ACTIVATOR" "Tclin" "Homo sapiens" +"ixazomib" 5067 "Proteasome subunit beta type-5" "Enzyme" "P28074" "PSMB5" "PSB5_HUMAN" 8.46852111816406 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/20160034" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/208462lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"ixazomib" 5067 "Proteasome subunit beta type-2" "Enzyme" "P49721" "PSMB2" "PSB2_HUMAN" 5.45593214035034 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/20160034" "INHIBITOR" "Tclin" "Homo sapiens" +"ixazomib" 5067 "Proteasome subunit beta type-1" "Enzyme" "P20618" "PSMB1" "PSB1_HUMAN" 7.50863838195801 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/20160034" "INHIBITOR" "Tclin" "Homo sapiens" +"brivaracetam" 5068 "Synaptic vesicle glycoprotein 2A" "Transporter" "Q7L0J3" "SV2A" "SV2A_HUMAN" 7.09999990463257 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/18500360" "http://www.ncbi.nlm.nih.gov/pubmed/18500360" "MODULATOR" "Tclin" "Homo sapiens" +"asparaginase" 5070 "aspargine" "Amino acid" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/101063s5169lbl.pdf" "HYDROLYTIC ENZYME" +"necitumumab" 5071 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125547s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"elotuzumab" 5072 "SLAM family member 7" "Membrane receptor" "Q9NQ25" "SLAMF7" "SLAF7_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/761035s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"lesinurad" 5075 "Solute carrier family 22 member 12" "Transporter" "Q96S37" "SLC22A12" "S22AC_HUMAN" 5.13667726516724 "IC50" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207988lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207988lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"lesinurad" 5075 "Solute carrier family 22 member 11" "Transporter" "Q9NSA0" "SLC22A11" "S22AB_HUMAN" 5.43179845809937 "IC50" "DRUG LABEL" "=" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207988lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"selexipag" 5077 "Prostacyclin receptor" "GPCR" "P43119" "PTGIR" "PI2R_HUMAN" 7.69896984100342 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/26291199" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207947s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"selexipag" 5077 "Prostacyclin receptor" "Unclassified" "P43253" "Ptgir" "PI2R_RAT" 5.68 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7552" "AGONIST" "Rattus norvegicus" +"lobeglitazone" 5078 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 7.74472761154175 "EC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/22047812" "http://www.ncbi.nlm.nih.gov/pubmed/22047812" "AGONIST" "Tclin" "Homo sapiens" +"lobeglitazone" 5078 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 7.69896984100342 "EC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/22047812" "AGONIST" "Tclin" "Homo sapiens" +"nemonoxacin" 5079 "Streptococcus pneumoniae" "Bacteria" 6.79172563552856 "MIC90" "invasive S. pneumoniae isolates" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/19833635" "MINIMUM INHIBITORY CONCENTRATION" +"nemonoxacin" 5079 "Staphylococcus aureus subsp. aureus" "Bacteria" 7.09275579452515 "MIC90" "methicillin-susceptible S. aureus (MSSA)" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/19833635" "MINIMUM INHIBITORY CONCENTRATION" +"elbasvir" 5080 "Genome polyprotein" "Polyprotein" "P27958" "POLG_HCVH" 11.3979396820068 "EC50" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208261Orig1s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208261Orig1s000lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 1a (isolate H)" +"elbasvir" 5080 "Genome polyprotein" "Polyprotein" "P26663" "POLG_HCVBK" 11.5228786468506 "EC50" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208261Orig1s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208261Orig1s000lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 1b (isolate BK)" +"elbasvir" 5080 "Genome polyprotein" "Polyprotein" "O39929" "POLG_HCVED" 12.5228786468506 "EC50" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208261Orig1s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208261Orig1s000lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 4a (isolate ED43)" +"grazoprevir" 5081 "Genome polyprotein" "Polyprotein" "P27958" "POLG_HCVH" 12.3979396820068 "EC50" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208261Orig1s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208261Orig1s000lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 1a (isolate H)" +"grazoprevir" 5081 "Genome polyprotein" "Polyprotein" "P26663" "POLG_HCVBK" 12.3010301589966 "EC50" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208261Orig1s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208261Orig1s000lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 1b (isolate BK)" +"grazoprevir" 5081 "Genome polyprotein" "Polyprotein" "O39929" "POLG_HCVED" 12.5228786468506 "EC50" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208261Orig1s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208261Orig1s000lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 4a (isolate ED43)" +"pegaspargase" 5082 "aspargine" "Amino acid" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/103411s5180lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/103411s5180lbl.pdf" "HYDROLYTIC ENZYME" +"ixekizumab" 5083 "Interleukin-17A" "Cytokine" "Q16552" "IL17A" "IL17_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/125521s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"denileukin diftitox" 5087 "Interleukin-2 receptor" "Membrane receptor" "P01589|P14784|P31785" "IL2RA|IL2RB|IL2RG" "IL2RA_HUMAN|IL2RB_HUMAN|IL2RG_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2011/103767s5119lbl.pdf" "ANTIBODY BINDING" "Tclin|Tclin|Tclin" "Homo sapiens" +"alefacept" 5088 "T-cell surface antigen CD2" "Surface antigen" "P06729" "CD2" "CD2_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/125036s0144lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"abatacept" 5089 "T-lymphocyte activation antigen CD80" "Surface antigen" "P33681" "CD80" "CD80_HUMAN" 7.92 "Kd" "Measuring binding of 125I-labeled B7Ig fusion protein to immobilized abatacept." "IUPHAR" "~" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6891" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125118s179lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"abatacept" 5089 "T-lymphocyte activation antigen CD86" "Surface antigen" "P42081" "CD86" "CD86_HUMAN" 7.92 "Kd" "Measuring binding of 125I-labeled B7Ig fusion protein to immobilized abatacept." "IUPHAR" "~" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6891" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125118s179lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"belatacept" 5091 "T-lymphocyte activation antigen CD80" "Surface antigen" "P33681" "CD80" "CD80_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125288s062lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"belatacept" 5091 "T-lymphocyte activation antigen CD86" "Surface antigen" "P42081" "CD86" "CD86_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125288s062lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"reslizumab" 5093 "Interleukin-5" "Cytokine" "P05113" "IL5" "IL5_HUMAN" 10.0915145874023 "Kd" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/761033lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/761033lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"obiltoxaximab" 5094 "Protective antigen" "Secreted" "P13423" "pagA" "PAG_BACAN" 9.48148632049561 "Kd" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/125509lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/125509lbl.pdf" "ANTIBODY BINDING" "Bacillus anthracis" +"rilonacept" 5105 "Interleukin-1 beta" "Cytokine" "P01584" "IL1B" "IL1B_HUMAN" 12.3010301589966 "Kd" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2008/125249lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2008/125249lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"rilonacept" 5105 "Interleukin-1 alpha" "Cytokine" "P01583" "IL1A" "IL1A_HUMAN" 11.8538722991943 "Kd" "DRUG LABEL" "=" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2008/125249lbl.pdf" "INHIBITOR" "Tchem" "Homo sapiens" +"rilonacept" 5105 "Interleukin-1 receptor antagonist protein" "Unclassified" "P18510" "IL1RN" "IL1RA_HUMAN" 11.2146701812744 "Kd" "DRUG LABEL" "=" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2008/125249lbl.pdf" "INHIBITOR" "Tchem" "Homo sapiens" +"urokinase" 5109 "Plasminogen" "Enzyme" "P00747" "PLG" "PLMN_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2008/021846s101lbl.pdf" "ACTIVATOR" "Tclin" "Homo sapiens" +"migalastat" 5110 "Alpha-galactosidase A" "Enzyme" "P06280" "GLA" "AGAL_HUMAN" 7.15000009536743 "IC50" "CHEMBL" "=" 1 "DRUG LABEL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL110458" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/004059/WC500208434.pdf" "PHARMACOLOGICAL CHAPERONE" "Tclin" "Homo sapiens" +"migalastat" 5110 "Beta-galactosidase" "Enzyme" "P16278" "GLB1" "BGAL_HUMAN" 4.05000019073486 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL110458" "Tchem" "Homo sapiens" +"migalastat" 5110 "Lactase-phlorizin hydrolase" "Enzyme" "P09848" "LCT" "LPH_HUMAN" 4.30000019073486 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL110458" "Tbio" "Homo sapiens" +"migalastat" 5110 "Glycogen debranching enzyme" "Enzyme" "P35573" "AGL" "GDE_HUMAN" 5 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL110458" "Tbio" "Homo sapiens" +"migalastat" 5110 "Sucrase-isomaltase, intestinal" "Enzyme" "P14410" "SI" "SUIS_HUMAN" 6.59000015258789 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL110458" "Tchem" "Homo sapiens" +"migalastat" 5110 "Non-lysosomal glucosylceramidase" "Enzyme" "Q9HCG7" "GBA2" "GBA2_HUMAN" 4 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL110458" "Tchem" "Homo sapiens" +"migalastat" 5110 "Lysosomal alpha-glucosidase" "Enzyme" "P10253" "GAA" "LYAG_HUMAN" 5.21999979019165 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL110458" "Tclin" "Homo sapiens" +"migalastat" 5110 "Maltase-glucoamylase, intestinal" "Enzyme" "O43451" "MGAM" "MGA_HUMAN" 5.82000017166138 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL110458" "Tclin" "Homo sapiens" +"migalastat" 5110 "Beta-galactosidase" "Unclassified" "D3ZUM4" "Glb1" "D3ZUM4_RAT" 4.62 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL110458" "Rattus norvegicus" +"migalastat" 5110 "Lactase-phlorizin hydrolase" "Unclassified" "Q02401" "Lct" "LPH_RAT" 4.14 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL110458" "Rattus norvegicus" +"migalastat" 5110 "Alpha-galactosidase" "Unclassified" "Q42656" "AGAL_COFAR" 8.52 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL110458" "Coffea arabica" +"migalastat" 5110 "Beta-galactosidase" "Unclassified" "Q59750" "lacZ" "BGAL_RHIML" 4.9 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL110458" "Rhizobium meliloti" +"migalastat" 5110 "Alpha-galactosidase C" "Unclassified" "Q9UUZ4" "aglC" "AGALC_ASPNG" 5.74 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL110458" "Aspergillus niger" +"migalastat" 5110 "Beta-galactosidase" "Unclassified" "Q8VNN2" "lacZ" "BGAL_ECOLX" 4.89 "Ki" "Inhibition of Escherichia coli beta-galactosidase" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL110458" "Escherichia coli" +"chromic chloride" 5118 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.76000022888184 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200528" "Tclin" "Homo sapiens" +"chromic chloride" 5118 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.53000020980835 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200528" "Tclin" "Homo sapiens" +"sucroferric oxyhydroxide" 5121 "phosphate" "Metabolite" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/205109s001lbl.pdf" "SEQUESTERING AGENT" +"alglucerase" 5129 "glucocerebroside" "Metabolite" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2006/020057s034lbl.pdf" "HYDROLYTIC ENZYME" +"venetoclax" 5133 "Apoptosis regulator Bcl-2" "Cytosolic other" "P10415" "BCL2" "BCL2_HUMAN" 11 "Ki" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/23291630" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208573s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"venetoclax" 5133 "Bcl-2-like protein 1" "Cytosolic other" "Q07817" "BCL2L1" "B2CL1_HUMAN" 7.31875896453857 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/23291630" "INHIBITOR" "Tchem" "Homo sapiens" +"venetoclax" 5133 "Apoptosis regulator Bcl-W" "Cytosolic other" "Q92843" "BCL2L2" "B2CL2_HUMAN" 6.6108341217041 "Ki" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/23291630" "INHIBITOR" "Tchem" "Homo sapiens" +"dornase alfa" 5135 "DNA" "DNA" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/103532s5175lbl.pdf" "HYDROLYTIC ENZYME" +"peginterferon beta-1a" 5137 "Interferon alpha/beta receptor" "Membrane receptor" "P17181|P48551" "IFNAR1|IFNAR2" "INAR1_HUMAN|INAR2_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125499s009lbl.pdf" "AGONIST" "Tclin|Tclin" "Homo sapiens" +"interferon beta-1a" 5139 "Interferon alpha/beta receptor" "Membrane receptor" "P17181|P48551" "IFNAR1|IFNAR2" "INAR1_HUMAN|INAR2_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/103628s5258lbl.pdf" "AGONIST" "Tclin|Tclin" "Homo sapiens" +"interferon beta-1b" 5140 "Interferon alpha/beta receptor" "Membrane receptor" "P17181|P48551" "IFNAR1|IFNAR2" "INAR1_HUMAN|INAR2_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/103471s5188lbl.pdf" "AGONIST" "Tclin|Tclin" "Homo sapiens" +"alteplase" 5141 "Plasminogen" "Enzyme" "P00747" "PLG" "PLMN_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/103172s5203lbl.pdf" "ACTIVATOR" "Tclin" "Homo sapiens" +"pimavanserin" 5142 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.30000019073486 "Ki" "1 nM [3H]ketanserin binding in cell membranes" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/16469866" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/207318lbl.pdf" "INVERSE AGONIST" "Tclin" "Homo sapiens" +"pimavanserin" 5142 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.80000019073486 "Ki" "3 nM [3H]mesulergine binding in cell membranes" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/16469866" "INVERSE AGONIST" "Tclin" "Homo sapiens" +"opicapone" 5143 "Catechol O-methyltransferase" "Enzyme" "P21964" "COMT" "COMT_HUMAN" 9 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/24847974" "http://www.ncbi.nlm.nih.gov/pubmed/24847974" "INHIBITOR" "Tclin" "Homo sapiens" +"opicapone" 5143 "Catechol O-methyltransferase" "Enzyme" "O88587" "Comt" "COMT_MOUSE" 8.82 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=8988" "INHIBITOR" "Mus musculus" +"opicapone" 5143 "Catechol O-methyltransferase" "Enzyme" "P22734" "Comt" "COMT_RAT" 8.82 "Ki" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=8988" "INHIBITOR" "Rattus norvegicus" +"gluconolactone" 5144 "Glucosylceramidase" "Enzyme" "P04062" "GBA" "GLCM_HUMAN" 4.51999998092651 "Ki" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200829" "Tclin" "Homo sapiens" +"choriogonadotropin alfa" 5149 "Lutropin-choriogonadotropic hormone receptor" "GPCR" "P22888" "LHCGR" "LSHR_HUMAN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201464" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201464" "AGONIST" "Tclin" "Homo sapiens" +"atezolizumab" 5151 "Programmed cell death 1 ligand 1" "CD molecules" "Q9NZQ7" "CD274" "PD1L1_HUMAN" 9.39 "Kd" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/27412122" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/761034s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"velpatasvir" 5154 "Genome polyprotein" "Polyprotein" "P27958" "POLG_HCVH" 10.8538722991943 "EC50" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208341s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208341s000lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 1a (isolate H)" +"velpatasvir" 5154 "Genome polyprotein" "Polyprotein" "P26663" "POLG_HCVBK" 10.795880317688 "EC50" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208341s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208341s000lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 1b (isolate BK)" +"velpatasvir" 5154 "Genome polyprotein" "Polyprotein" "Q99IB8" "POLG_HCVJF" 10.9788103103638 "EC50" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208341s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208341s000lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 2a (isolate JFH-1)" +"velpatasvir" 5154 "Genome polyprotein" "Polyprotein" "O39929" "POLG_HCVED" 11.0457572937012 "EC50" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208341s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208341s000lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 4a (isolate ED43)" +"velpatasvir" 5154 "Genome polyprotein" "Polyprotein" "Q81495" "POLG_HCVK3" 11.3979396820068 "EC50" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208341s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208341s000lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 3a (isolate k3a) (HCV)" +"velpatasvir" 5154 "Genome polyprotein" "Polyprotein" "Q9DHD6" "POLG_HCVJP" 11.3979396820068 "EC50" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208341s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208341s000lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 2b (isolate JPUT971017) (HCV)" +"velpatasvir" 5154 "Genome polyprotein" "Polyprotein" "O91936" "POLG_HCVSA" 10.4259691238403 "EC50" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208341s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208341s000lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 5a (isolate SA13) (HCV)" +"velpatasvir" 5154 "Genome polyprotein" "Polyprotein" "Q5I2N3" "POLG_HCV6A" 11.0969104766846 "EC50" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208341s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208341s000lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 6a (isolate 6a33) (HCV)" +"obeticholic acid" 5155 "Bile acid receptor" "Nuclear hormone receptor" "Q96RI1" "NR1H4" "NR1H4_HUMAN" 7.00436496734619 "EC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/12166927" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/207999s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"obeticholic acid" 5155 "G-protein coupled bile acid receptor 1" "GPCR" "Q8TDU6" "GPBAR1" "GPBAR_HUMAN" 7 "EC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL566315" "Tchem" "Homo sapiens" +"darbepoetin alfa" 5157 "Erythropoietin receptor" "Membrane receptor" "P19235" "EPOR" "EPOR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/103951s5363lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"peginterferon alfa-2a" 5158 "Interferon alpha/beta receptor" "Membrane receptor" "P17181|P48551" "IFNAR1|IFNAR2" "INAR1_HUMAN|INAR2_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/103964s5264lbl.pdf" "AGONIST" "Tclin|Tclin" "Homo sapiens" +"epoetin beta" 5160 "Erythropoietin receptor" "Membrane receptor" "P19235" "EPOR" "EPOR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/000116/WC500024979.pdf" "AGONIST" "Tclin" "Homo sapiens" +"peginterferon alfa-2b" 5164 "Interferon alpha/beta receptor" "Membrane receptor" "P17181|P48551" "IFNAR1|IFNAR2" "INAR1_HUMAN|INAR2_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/103949s5299lbl.pdf" "AGONIST" "Tclin|Tclin" "Homo sapiens" +"methoxy polyethylene glycol-epoetin beta" 5165 "Erythropoietin receptor" "Membrane receptor" "P19235" "EPOR" "EPOR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/125164s071s072s073lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"lenograstim" 5167 "Granulocyte colony-stimulating factor receptor" "Membrane receptor" "Q99062" "CSF3R" "CSF3R_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/10776839" "ACTIVATOR" "Tclin" "Homo sapiens" +"eldecalcitol" 5169 "Vitamin D3 receptor" "Nuclear hormone receptor" "P11473" "VDR" "VDR_HUMAN" "UNKNOWN" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D07578" "AGONIST" "Tclin" "Homo sapiens" +"eldecalcitol" 5169 "Vitamin D3 receptor" "Transcription factor" "P13053" "Vdr" "VDR_RAT" 8 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2783" "AGONIST" "Rattus norvegicus" +"epoetin zeta" 5170 "Erythropoietin receptor" "Membrane receptor" "P19235" "EPOR" "EPOR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/000872/WC500054377.pdf" "AGONIST" "Tclin" "Homo sapiens" +"lifitegrast" 5174 "Integrin alpha-L/beta-2" "Adhesion" "P05107|P20701" "ITGAL|ITGB2" "ITAL_HUMAN|ITB2_HUMAN" 8.04575729370117 "IC50" "inhibition of ICAM-1 binding to LFA-1 in HuT 78 cell line" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/24900456" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208073s000lbl.pdf" "ANTAGONIST" "Tclin|Tclin" "Homo sapiens" +"lifitegrast" 5174 "Intercellular adhesion molecule 1" "Unclassified" "P05362" "ICAM1" "ICAM1_HUMAN" 8.53 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2048028" "Homo sapiens" +"pegloticase" 5176 "uric acid" "Metabolite" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/125293s085lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/125293s085lbl.pdf" "OXIDATIVE ENZYME" +"muromonab-CD3" 5177 "T-cell surface glycoprotein CD3" "Surface antigen" "P04234|P07766|P09693" "CD3D|CD3E|CD3G" "CD3D_HUMAN|CD3E_HUMAN|CD3G_HUMAN" "Mechanism of Action" "UNKNOWN" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6889" "ANTIBODY BINDING" "Tclin|Tclin|Tclin" "Homo sapiens" +"brodalumab" 5179 "Interleukin-17 receptor" "Membrane receptor" "Q8NAC3|Q96F46" "IL17RA|IL17RC" "I17RA_HUMAN|I17RC_HUMAN" 9.19999980926514 "Kd" "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7540" "http://www.ncbi.nlm.nih.gov/pubmed/22455412" "ANTIBODY BINDING" "Tclin|Tclin" "Homo sapiens" +"etelcalcetide" 5181 "Extracellular calcium-sensing receptor" "GPCR" "P41180" "CASR" "CASR_HUMAN" 4.6 "EC50" "Measuring ligand induced IP1 accumulation." "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=8375" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/003995/WC500217100.pdf" "AGONIST" "Tclin" "Homo sapiens" +"eteplirsen" 5182 "exon 51 of dystrophin pre-mRNA" "RNA" "P11532" "DMD" "DMD_HUMAN" "Mechanism of Action" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2016/206488lbl.pdf" "BINDING AGENT" "Tclin" "Homo sapiens" +"olaratumab" 5183 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 10.4 "Kd" "BIAcore assay" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=9172" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/761038lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"gallium (68Ga) edotreotide" 5185 "Somatostatin receptor type 2" "GPCR" "P30874" "SSTR2" "SSR2_HUMAN" 8.6 "Ki" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/210828s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/210828s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"bezlotoxumab" 5186 "Toxin B" "Enzyme" "P18177" "toxB" "TOXB_CLODI" 9 "Kd" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/761046s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/761046s000lbl.pdf" "ANTIBODY BINDING" "Clostridioides difficile" +"radotinib" 5188 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 7.51427841186523 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/25676420" "http://www.ncbi.nlm.nih.gov/pubmed/25676420" "INHIBITOR" "Tclin" "Homo sapiens" +"crisaborole" 5201 "Phosphodiesterase 4" "Enzyme" "P27815|Q07343|Q08493|Q08499" "PDE4A|PDE4B|PDE4C|PDE4D" "PDE4A_HUMAN|PDE4B_HUMAN|PDE4C_HUMAN|PDE4D_HUMAN" 6.30980396270752 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/20188549" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/207695s000lbl.pdf" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"crisaborole" 5201 "Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A" "Enzyme" "P54750" "PDE1A" "PDE1A_HUMAN" 5.21 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL484785" "Tclin" "Homo sapiens" +"crisaborole" 5201 "High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A" "Enzyme" "Q13946" "PDE7A" "PDE7A_HUMAN" 6.14 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL484785" "Tclin" "Homo sapiens" +"baricitinib" 5202 "Tyrosine-protein kinase JAK1" "Kinase" "P23458" "JAK1" "JAK1_HUMAN" 8.22914791107178 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/20363976" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/004085/WC500223723.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"baricitinib" 5202 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 8.24412536621094 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/20363976" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/004085/WC500223723.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"baricitinib" 5202 "Non-receptor tyrosine-protein kinase TYK2" "Kinase" "P29597" "TYK2" "TYK2_HUMAN" 7.27572393417358 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/20363976" "INHIBITOR" "Tclin" "Homo sapiens" +"baricitinib" 5202 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 6.1 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2105759" "Tclin" "Homo sapiens" +"rucaparib" 5203 "Poly [ADP-ribose] polymerase 1" "Enzyme" "P09874" "PARP1" "PARP1_HUMAN" 8.5 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://dx.doi.org/10.1021/acs.jmedchem.6b00990" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/209115s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"rucaparib" 5203 "Poly [ADP-ribose] polymerase 2" "Enzyme" "Q9UGN5" "PARP2" "PARP2_HUMAN" 7.55000019073486 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://dx.doi.org/10.1021/acs.jmedchem.6b00990" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/209115s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"rucaparib" 5203 "Poly [ADP-ribose] polymerase 3" "Enzyme" "Q9Y6F1" "PARP3" "PARP3_HUMAN" 6.3899998664856 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://dx.doi.org/10.1021/acs.jmedchem.6b00990" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/209115s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"rucaparib" 5203 "Poly [ADP-ribose] polymerase 4" "Enzyme" "Q9UKK3" "PARP4" "PARP4_HUMAN" 6.07999992370606 "IC50" "SCIENTIFIC LITERATURE" "=" "http://dx.doi.org/10.1021/acs.jmedchem.6b00990" "INHIBITOR" "Homo sapiens" +"rucaparib" 5203 "Tankyrase-1" "Enzyme" "O95271" "TNKS" "TNKS1_HUMAN" 6.84000015258789 "IC50" "SCIENTIFIC LITERATURE" "=" "http://dx.doi.org/10.1021/acs.jmedchem.6b00990" "INHIBITOR" "Tchem" "Homo sapiens" +"rucaparib" 5203 "Tankyrase-2" "Enzyme" "Q9H2K2" "TNKS2" "TNKS2_HUMAN" 6.05000019073486 "IC50" "SCIENTIFIC LITERATURE" "=" "http://dx.doi.org/10.1021/acs.jmedchem.6b00990" "INHIBITOR" "Tchem" "Homo sapiens" +"rucaparib" 5203 "Poly [ADP-ribose] polymerase 10" "Enzyme" "Q53GL7" "PARP10" "PAR10_HUMAN" 6.25 "IC50" "SCIENTIFIC LITERATURE" "=" "http://dx.doi.org/10.1021/acs.jmedchem.6b00990" "INHIBITOR" "Homo sapiens" +"rucaparib" 5203 "Poly [ADP-ribose] polymerase 12" "Enzyme" "Q9H0J9" "PARP12" "PAR12_HUMAN" 5.17999982833862 "IC50" "SCIENTIFIC LITERATURE" "=" "http://dx.doi.org/10.1021/acs.jmedchem.6b00990" "INHIBITOR" "Homo sapiens" +"rucaparib" 5203 "Poly [ADP-ribose] polymerase 14" "Enzyme" "Q460N5" "PARP14" "PAR14_HUMAN" 5.05000019073486 "IC50" "SCIENTIFIC LITERATURE" "=" "http://dx.doi.org/10.1021/acs.jmedchem.6b00990" "INHIBITOR" "Homo sapiens" +"rucaparib" 5203 "Poly [ADP-ribose] polymerase 15" "Enzyme" "Q460N3" "PARP15" "PAR15_HUMAN" 4.48999977111816 "IC50" "SCIENTIFIC LITERATURE" "=" "http://dx.doi.org/10.1021/acs.jmedchem.6b00990" "INHIBITOR" "Homo sapiens" +"plecanatide" 5208 "Heat-stable enterotoxin receptor" "Enzyme" "P25092" "GUCY2C" "GUC2C_HUMAN" 6.72124624252319 "EC50" "Stimulation of cGMP synthesis in T84 cells" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/26558155" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2017/208745lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"plecanatide" 5208 "Tumor necrosis factor" "Cytokine" "P01375" "TNF" "TNFA_HUMAN" 8.42 "Kd" "Binding affinity to TNF-alpha (unknown origin)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255489" "Tclin" "Homo sapiens" +"icotinib" 5209 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 8.69896984100342 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/22959248" "http://www.ncbi.nlm.nih.gov/pubmed/22088449" "INHIBITOR" "Tclin" "Homo sapiens" +"olmutinib" 5210 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 8.03621196746826 "IC50" "HCC827 cells expressing EGFR(DEL19)" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/27357069" "http://www.ncbi.nlm.nih.gov/pubmed/27357069" "INHIBITOR" "Tclin" "Homo sapiens" +"apatinib" 5211 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 9 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/21443688" "http://www.ncbi.nlm.nih.gov/pubmed/21443688" "INHIBITOR" "Tclin" "Homo sapiens" +"apatinib" 5211 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 6.36754274368286 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/21443688" "INHIBITOR" "Tclin" "Homo sapiens" +"apatinib" 5211 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 7.88605642318726 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/21443688" "INHIBITOR" "Tclin" "Homo sapiens" +"apatinib" 5211 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 6.27572393417358 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/21443688" "INHIBITOR" "Tclin" "Homo sapiens" +"apatinib" 5211 "Tyrosine-protein kinase CSK" "Kinase" "P41240" "CSK" "CSK_HUMAN" 6.28 "IC50" "Assay used apatinib mesylate (YN968D1)" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7648" "INHIBITOR" "Tchem" "Homo sapiens" +"telotristat ethyl" 5214 "Tryptophan 5-hydroxylase 1" "Enzyme" "P17752" "TPH1" "TPH1_HUMAN" 7.79587984085083 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/28041831" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2017/208794s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"beclabuvir" 5215 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.61 "IC50" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3126842" "Tclin" "Homo sapiens" +"crisantaspase" 5216 "aspargine" "Amino acid" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/125359s088lbl.pdf" "HYDROLYTIC ENZYME" +"cytisine" 5217 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P36544" "CHRNA7" "ACHA7_HUMAN" 5.85 "Ki" "Binding affinity to human Nicotinic acetylcholine receptor alpha7 expressed in IMR32 cells using [3H]alpha-bungarotoxin" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL497939" "Tchem" "Homo sapiens" +"cytisine" 5217 "Acetylcholine receptor subunit delta" "Ion channel" "P02718" "chrnd" "ACHD_TORCA" 4 "EC50" "Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor subtype TE671 (muscle)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL497939" "Torpedo californica" +"cytisine" 5217 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "Q05941" "Chrna7" "ACHA7_RAT" 9.05 "Ki" "In vitro binding affinity towards Nicotinic acetylcholine receptor alpha7 using [125I]-alpha-Bungarotoxin in rat brain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL497939" "Rattus norvegicus" +"cytisine" 5217 "Neuronal acetylcholine receptor subunit alpha-4" "Ion channel" "P09483" "Chrna4" "ACHA4_RAT" 9.47 "Ki" "Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain cortex membrane homogenates" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL497939" "Rattus norvegicus" +"cytisine" 5217 "Nicotinic acetylcholine receptor alpha 5 subunit" "Ion channel" "A9XFY4" "nAChRalpha5" "A9XFY4_MUSDO" 5.91 "Ki" "Displacement of [3H]alpha-bungarotoxin from nAChR in Musca domestica (house fly) head membrane after 60 min by scintillation counting" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL497939" "Musca domestica" +"cytisine" 5217 "Acetylcholine receptor subunit alpha" "Ion channel" "P02710" "CHRNA1" "ACHA_TORCA" 5.45 "IC50" "Displacement of [3H]alpha-BGT from nAChR in Torpedo nobiliana electric organs membranes by scintillation counting method" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL497939" "Torpedo californica" +"ribociclib" 5218 "Cyclin-dependent kinase 4" "Kinase" "P11802" "CDK4" "CDK4_HUMAN" 8 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/25941111" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209092s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"ribociclib" 5218 "Cyclin-dependent kinase 6" "Kinase" "Q00534" "CDK6" "CDK6_HUMAN" 7.408935546875 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/25941111" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209092s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"naldemedine" 5220 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/208854s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"avelumab" 5221 "Programmed cell death 1 ligand 1" "CD molecules" "Q9NZQ7" "CD274" "PD1L1_HUMAN" "UNKNOWN" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2017/761049s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"niraparib" 5222 "Poly [ADP-ribose] polymerase 1" "Enzyme" "P09874" "PARP1" "PARP1_HUMAN" 8.42 "IC50" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=8275" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/208447lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"niraparib" 5222 "Poly [ADP-ribose] polymerase 2" "Enzyme" "Q9UGN5" "PARP2" "PARP2_HUMAN" 8.68 "IC50" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=8275" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/208447lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"niraparib" 5222 "Tankyrase-1" "Enzyme" "O95271" "TNKS" "TNKS1_HUMAN" 6.24 "IC50" "Inhibition of human TANK1 C-terminal domain by trichloroacetic acid precipitation assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1094636" "Tchem" "Homo sapiens" +"niraparib" 5222 "Poly [ADP-ribose] polymerase 4" "Enzyme" "Q9UKK3" "PARP4" "PARP4_HUMAN" 6.48 "IC50" "Inhibition of human v-PARP catalytic domain by trichloroacetic acid precipitation assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1094636" "Homo sapiens" +"niraparib" 5222 "Poly [ADP-ribose] polymerase 3" "Enzyme" "Q9Y6F1" "PARP3" "PARP3_HUMAN" 5.89 "IC50" "Inhibition of human PARP3 by trichloroacetic acid precipitation assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1094636" "Tclin" "Homo sapiens" +"ocrelizumab" 5223 "B-lymphocyte antigen CD20" "Surface antigen" "P11836" "MS4A1" "CD20_HUMAN" 9.08 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7580" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/761053lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"dupilumab" 5224 "Interleukin-4 receptor subunit alpha" "Membrane receptor" "P24394" "IL4R" "IL4RA_HUMAN" 11.06 "IC50" "Value derived from an ELISA-based solution competition assay." "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7574" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/761055lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"sodium zirconium cyclosilicate" 5225 "Potassium" "Inorganic material" "UNKNOWN" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/25531770" "BINDING AGENT" +"deutetrabenazine" 5226 "Synaptic vesicular amine transporter" "Transporter" "Q05940" "SLC18A2" "VMAT2_HUMAN" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/208082s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"valbenazine" 5227 "Synaptic vesicular amine transporter" "Transporter" "Q05940" "SLC18A2" "VMAT2_HUMAN" 8.52287864685059 "Ki" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209241lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209241lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"valbenazine" 5227 "Synaptic vesicular amine transporter" "Transporter" "Q01827" "Slc18a2" "VMAT2_RAT" 6.73 "Ki" "Displacement binding assay using rat brain homogenate." "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=8694" "INHIBITOR" "Rattus norvegicus" +"forodesine" 5229 "Purine nucleoside phosphorylase" "Enzyme" "P00491" "PNP" "PNPH_HUMAN" 10.1426677703857 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/9628722" "http://www.ncbi.nlm.nih.gov/pubmed/17897085" "INHIBITOR" "Tclin" "Homo sapiens" +"forodesine" 5229 "Purine nucleoside phosphorylase" "Unclassified" "P55859" "PNP" "PNPH_BOVIN" 10.64 "Ki" "Inhibitory activity of compound against bovine purine nucleoside phosphorylase (PNP)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218291" "Bos taurus" +"forodesine" 5229 "Purine nucleoside phosphorylase" "Unclassified" "Q8T9Z7" "PNP" "Q8T9Z7_PLAFA" 9.07 "Ki" "Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218291" "Plasmodium falciparum" +"cerliponase alfa" 5230 "Peptide" "Unclassified" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/761052lbl.pdf" "PROTEOLYTIC ENZYME" +"midostaurin" 5231 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 7.96 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=5702" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/207997Orig1Orig2s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Vascular endothelial growth factor receptor 3" "Kinase" "P35916" "FLT4" "VGFR3_HUMAN" 6.17 "Kd" "Binding constant for FLT4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase PAK 3" "Kinase" "O75914" "PAK3" "PAK3_HUMAN" 6.75 "Kd" "Binding constant for full-length PAK3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "3-phosphoinositide-dependent protein kinase 1" "Kinase" "O15530" "PDPK1" "PDPK1_HUMAN" 6.96 "Kd" "Binding affinity to PDPK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform" "Kinase" "Q16816" "PHKG1" "PHKG1_HUMAN" 6.72 "Kd" "Binding affinity to PHKG1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Phosphatidylinositol 4-phosphate 5-kinase type-1 alpha" "Kinase" "Q99755" "PIP5K1A" "PI51A_HUMAN" 6.51 "Kd" "Binding constant for full-length PIP5K1A" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tbio" "Homo sapiens" +"midostaurin" 5231 "Ribosomal protein S6 kinase alpha-6" "Kinase" "Q9UK32" "RPS6KA6" "KS6A6_HUMAN" 5.82 "Kd" "Binding constant for RPS6KA6(Kin.Dom.1 - C-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Myosin light chain kinase family member 4" "Kinase" "Q86YV6" "MYLK4" "MYLK4_HUMAN" 6.19 "Kd" "Binding constant for SgK085 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 6.6 "IC50" "Inhibition of recombinant GST-tagged VEGFR2 kinase domain (V789 to V1356) (unknown origin) expressed in insect Sf9 cells using polyGlu4:Tyr peptide as substrate after 120 mins by Kinase-Glo assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Tyrosine-protein kinase Yes" "Kinase" "P07947" "YES1" "YES_HUMAN" 6.02 "Kd" "Binding constant for YES kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase 25" "Kinase" "O00506" "STK25" "STK25_HUMAN" 5.75 "Kd" "Binding constant for YSK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tbio" "Homo sapiens" +"midostaurin" 5231 "Tyrosine-protein kinase ZAP-70" "Kinase" "P43403" "ZAP70" "ZAP70_HUMAN" 5.59 "Kd" "Binding constant for ZAP70 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Phosphatidylinositol 5-phosphate 4-kinase type-2 beta" "Kinase" "P78356" "PIP4K2B" "PI42B_HUMAN" 6.57 "Kd" "Binding constant for full-length PIP5K2B" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "cAMP-dependent protein kinase catalytic subunit beta" "Kinase" "P22694" "PRKACB" "KAPCB_HUMAN" 6.62 "Kd" "Binding constant for full-length PKAC-beta" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "cAMP-dependent protein kinase catalytic subunit PRKX" "Unclassified" "P51817" "PRKX" "PRKX_HUMAN" 6.02 "Kd" "Binding constant for full-length PRKX" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Homo sapiens" +"midostaurin" 5231 "Protein-tyrosine kinase 2-beta" "Kinase" "Q14289" "PTK2B" "FAK2_HUMAN" 6.18 "Kd" "Binding constant for full-length PTK2B" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Dual specificity protein kinase CLK1" "Kinase" "P49759" "CLK1" "CLK1_HUMAN" 6.46 "Kd" "Binding constant for full-length CLK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Tyrosine-protein kinase CSK" "Kinase" "P41240" "CSK" "CSK_HUMAN" 5.06 "Kd" "Binding constant for full-length CSK" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Tyrosine-protein kinase receptor Tie-1" "Kinase" "P35590" "TIE1" "TIE1_HUMAN" 5.85 "Kd" "Binding constant for TIE1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 5.72 "Kd" "Binding constant for TIE2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "TRAF2 and NCK-interacting protein kinase" "Kinase" "Q9UKE5" "TNIK" "TNIK_HUMAN" 5.8 "Kd" "Binding constant for TNIK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Activated CDC42 kinase 1" "Kinase" "Q07912" "TNK2" "ACK1_HUMAN" 6.92 "Kd" "Binding constant for TNK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "High affinity nerve growth factor receptor" "Kinase" "P04629" "NTRK1" "NTRK1_HUMAN" 6.42 "Kd" "Binding constant for TRKA kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "BDNF/NT-3 growth factors receptor" "Kinase" "Q16620" "NTRK2" "NTRK2_HUMAN" 6.51 "Kd" "Binding constant for TRKB kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "NT-3 growth factor receptor" "Kinase" "Q16288" "NTRK3" "NTRK3_HUMAN" 5.77 "Kd" "Binding constant for TRKC kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Dual specificity protein kinase TTK" "Kinase" "P33981" "TTK" "TTK_HUMAN" 6.46 "Kd" "Binding constant for TTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Casein kinase II subunit alpha" "Kinase" "P68400" "CSNK2A1" "CSK21_HUMAN" 6.6 "Kd" "Binding constant for full-length CSNK2A1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Death-associated protein kinase 2" "Kinase" "Q9UIK4" "DAPK2" "DAPK2_HUMAN" 6.05 "Kd" "Binding constant for full-length DAPK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase 17B" "Kinase" "O94768" "STK17B" "ST17B_HUMAN" 5.33 "Kd" "Binding constant for full-length DRAK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Dual specificity tyrosine-phosphorylation-regulated kinase 1B" "Kinase" "Q9Y463" "DYRK1B" "DYR1B_HUMAN" 6.48 "Kd" "Binding constant for full-length DYRK1B" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Glycogen synthase kinase-3 alpha" "Kinase" "P49840" "GSK3A" "GSK3A_HUMAN" 5.6 "Kd" "Binding constant for full-length GSK3A" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Glycogen synthase kinase-3 beta" "Kinase" "P49841" "GSK3B" "GSK3B_HUMAN" 5.75 "Kd" "Binding constant for full-length GSK3B" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Inhibitor of nuclear factor kappa-B kinase subunit epsilon" "Kinase" "Q14164" "IKBKE" "IKKE_HUMAN" 6.8 "Kd" "Binding constant for full-length IKK-epsilon" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Non-receptor tyrosine-protein kinase TYK2" "Kinase" "P29597" "TYK2" "TYK2_HUMAN" 6.6 "Kd" "Binding constant for TYK2(Kin.Dom.2/JH1 - catalytic) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Mitogen-activated protein kinase 8" "Kinase" "P45983" "MAPK8" "MK08_HUMAN" 5.36 "Kd" "Binding constant for full-length JNK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase STK11" "Kinase" "Q15831" "STK11" "STK11_HUMAN" 6.46 "Kd" "Binding constant for full-length LKB1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "MAP/microtubule affinity-regulating kinase 3" "Kinase" "P27448" "MARK3" "MARK3_HUMAN" 7.68 "Kd" "Binding constant for full-length MARK3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Dual specificity mitogen-activated protein kinase kinase 3" "Kinase" "P46734" "MAP2K3" "MP2K3_HUMAN" 5.28 "Kd" "Binding constant for full-length MEK3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Maternal embryonic leucine zipper kinase" "Kinase" "Q14680" "MELK" "MELK_HUMAN" 6.55 "Kd" "Binding constant for full-length MELK" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "AP2-associated protein kinase 1" "Kinase" "Q2M2I8" "AAK1" "AAK1_HUMAN" 7.32 "Kd" "Binding constant for AAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase 4" "Kinase" "Q13043" "STK4" "STK4_HUMAN" 7.77 "Kd" "Binding affinity to MST1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Eukaryotic translation initiation factor 2-alpha kinase 4" "Kinase" "Q9P2K8" "EIF2AK4" "E2AK4_HUMAN" 7.41 "Kd" "Binding constant for GCN2(Kin.Dom.2,S808G) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Tyrosine-protein kinase HCK" "Kinase" "P08631" "HCK" "HCK_HUMAN" 6.14 "Kd" "Binding constant for HCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 6.1 "Kd" "Binding constant for ABL1(T315I)-phosphorylated kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Interleukin-1 receptor-associated kinase 3" "Kinase" "Q9Y616" "IRAK3" "IRAK3_HUMAN" 6.75 "Kd" "Binding constant for IRAK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 7.03 "Kd" "Binding constant for JAK2(Kin.Dom.2/JH1 - catalytic) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 7.92 "Kd" "Binding constant for JAK3(Kin.Dom.2/JH1 - catalytic) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Mitogen-activated protein kinase 10" "Kinase" "P53779" "MAPK10" "MK10_HUMAN" 5.44 "Kd" "Binding constant for JNK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 8.11 "Kd" "Binding constant for KIT(D816V) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase RIO1" "Kinase" "Q9BRS2" "RIOK1" "RIOK1_HUMAN" 5.92 "Kd" "Binding constant for full-length RIOK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase RIO3" "Kinase" "O14730" "RIOK3" "RIOK3_HUMAN" 6.38 "Kd" "Binding constant for full-length RIOK3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase SIK2" "Kinase" "Q9H0K1" "SIK2" "SIK2_HUMAN" 6.25 "Kd" "Binding constant for full-length SNF1LK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "SRSF protein kinase 1" "Kinase" "Q96SB4" "SRPK1" "SRPK1_HUMAN" 7.38 "Kd" "Binding constant for full-length SRPK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "SRSF protein kinase 2" "Kinase" "P78362" "SRPK2" "SRPK2_HUMAN" 6.48 "Kd" "Binding constant for full-length SRPK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tbio" "Homo sapiens" +"midostaurin" 5231 "Non-receptor tyrosine-protein kinase TNK1" "Kinase" "Q13470" "TNK1" "TNK1_HUMAN" 7.08 "Kd" "Binding constant for full-length TNK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Testis-specific serine/threonine-protein kinase 1" "Kinase" "Q9BXA7" "TSSK1B" "TSSK1_HUMAN" 5.32 "Kd" "Binding constant for full-length TSSK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.68 "Kd" "Binding constant for FYN kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Cyclin-G-associated kinase" "Kinase" "O14976" "GAK" "GAK_HUMAN" 6.42 "Kd" "Binding constant for GAK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "ALK tyrosine kinase receptor" "Kinase" "Q9UM73" "ALK" "ALK_HUMAN" 6.57 "Kd" "Binding constant for ALK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "5'-AMP-activated protein kinase catalytic subunit alpha-1" "Kinase" "Q13131" "PRKAA1" "AAPK1_HUMAN" 6.75 "Kd" "Binding constant for AMPK-alpha1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "5'-AMP-activated protein kinase catalytic subunit alpha-2" "Kinase" "P54646" "PRKAA2" "AAPK2_HUMAN" 6.34 "Kd" "Binding constant for AMPK-alpha2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Epithelial discoidin domain-containing receptor 1" "Kinase" "Q08345" "DDR1" "DDR1_HUMAN" 5.14 "Kd" "Binding constant for DDR1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Myotonin-protein kinase" "Kinase" "Q09013" "DMPK" "DMPK_HUMAN" 5.42 "Kd" "Binding constant for DMPK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "RAC-alpha serine/threonine-protein kinase" "Kinase" "P31749" "AKT1" "AKT1_HUMAN" 6.02 "Kd" "Binding constant for AKT1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "RAC-beta serine/threonine-protein kinase" "Kinase" "P31751" "AKT2" "AKT2_HUMAN" 6.11 "Kd" "Binding constant for AKT2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase LATS1" "Kinase" "O95835" "LATS1" "LATS1_HUMAN" 5.96 "Kd" "Binding constant for LATS1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tbio" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase LATS2" "Kinase" "Q9NRM7" "LATS2" "LATS2_HUMAN" 5.66 "Kd" "Binding constant for LATS2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 6.55 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 6.23 "Kd" "Binding constant for LOK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Leukocyte tyrosine kinase receptor" "Kinase" "P29376" "LTK" "LTK_HUMAN" 5.52 "Kd" "Binding constant for LTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 5.38 "Kd" "Binding constant for LYN kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase 17A" "Kinase" "Q9UEE5" "STK17A" "ST17A_HUMAN" 5.72 "Kd" "Binding constant for DRAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 8.06 "Kd" "Binding constant for EGFR(L858R,T790M) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "NUAK family SNF1-like kinase 1" "Kinase" "O60285" "NUAK1" "NUAK1_HUMAN" 7.39 "Kd" "Binding constant for ARK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Aurora kinase A" "Kinase" "O14965" "AURKA" "AURKA_HUMAN" 7.1 "IC50" "Inhibition of recombinant GST-tagged Aurora-A kinase domain (S123 to S401) (unknown origin) expressed in insect Sf9 cells using tetra(LRRASLG) peptide as substrate after 90 mins by Kinase-Glo assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 6.75 "Kd" "Binding affinity to PDGFRA" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 6.96 "Kd" "Binding constant for PDGFRB kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Phosphorylase b kinase gamma catalytic chain, liver/testis isoform" "Kinase" "P15735" "PHKG2" "PHKG2_HUMAN" 6.05 "Kd" "Binding affinity to PHKG2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase pim-1" "Kinase" "P11309" "PIM1" "PIM1_HUMAN" 6.25 "Kd" "Binding constant for PIM1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase pim-3" "Kinase" "Q86V86" "PIM3" "PIM3_HUMAN" 6.25 "Kd" "Binding constant for PIM3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "cAMP-dependent protein kinase catalytic subunit alpha" "Kinase" "P17612" "PRKACA" "KAPCA_HUMAN" 6.14 "Kd" "Binding constant for PKAC-alpha kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Mitogen-activated protein kinase kinase kinase kinase 1" "Kinase" "Q92918" "MAP4K1" "M4K1_HUMAN" 5.68 "Kd" "Binding constant for MAP4K1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Mitogen-activated protein kinase kinase kinase kinase 3" "Kinase" "Q8IVH8" "MAP4K3" "M4K3_HUMAN" 6.92 "Kd" "Binding constant for MAP4K3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Aurora kinase B" "Kinase" "Q96GD4" "AURKB" "AURKB_HUMAN" 7.21 "Kd" "Binding constant for AURKB kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Tyrosine-protein kinase receptor UFO" "Kinase" "P30530" "AXL" "UFO_HUMAN" 6.21 "Kd" "Binding constant for AXL kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "BMP-2-inducible protein kinase" "Kinase" "Q9NSY1" "BMP2K" "BMP2K_HUMAN" 6.66 "Kd" "Binding constant for BIKE kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Tyrosine-protein kinase Blk" "Kinase" "P51451" "BLK" "BLK_HUMAN" 6.3 "Kd" "Binding constant for BLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase BRSK1" "Kinase" "Q8TDC3" "BRSK1" "BRSK1_HUMAN" 5.92 "Kd" "Binding constant for BRSK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Calcium/calmodulin-dependent protein kinase type 1D" "Kinase" "Q8IU85" "CAMK1D" "KCC1D_HUMAN" 6.17 "Kd" "Binding constant for CAMK1D kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Calcium/calmodulin-dependent protein kinase type 1G" "Kinase" "Q96NX5" "CAMK1G" "KCC1G_HUMAN" 5.75 "Kd" "Binding constant for CAMK1G kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Mitogen-activated protein kinase kinase kinase kinase 4" "Kinase" "O95819" "MAP4K4" "M4K4_HUMAN" 6.19 "Kd" "Binding constant for MAP4K4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Mitogen-activated protein kinase kinase kinase kinase 5" "Kinase" "Q9Y4K4" "MAP4K5" "M4K5_HUMAN" 5.96 "Kd" "Binding constant for MAP4K5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase MARK1" "Kinase" "Q9P0L2" "MARK1" "MARK1_HUMAN" 6.77 "Kd" "Binding constant for MARK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase MARK2" "Kinase" "Q7KZI7" "MARK2" "MARK2_HUMAN" 7 "Kd" "Binding constant for MARK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "MAP/microtubule affinity-regulating kinase 4" "Kinase" "Q96L34" "MARK4" "MARK4_HUMAN" 6.43 "Kd" "Binding constant for MARK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Dual specificity mitogen-activated protein kinase kinase 4" "Kinase" "P45985" "MAP2K4" "MP2K4_HUMAN" 5.32 "Kd" "Binding constant for MEK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Tyrosine-protein kinase Mer" "Kinase" "Q12866" "MERTK" "MERTK_HUMAN" 5.54 "Kd" "Binding constant for MERTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 6.25 "Kd" "Binding constant for MET(Y1235D) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Calcium/calmodulin-dependent protein kinase type II subunit alpha" "Kinase" "Q9UQM7" "CAMK2A" "KCC2A_HUMAN" 7.7 "Kd" "Binding constant for CAMK2A kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Calcium/calmodulin-dependent protein kinase type II subunit beta" "Kinase" "Q13554" "CAMK2B" "KCC2B_HUMAN" 6.68 "Kd" "Binding constant for CAMK2B kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Calcium/calmodulin-dependent protein kinase type II subunit delta" "Kinase" "Q13557" "CAMK2D" "KCC2D_HUMAN" 7.44 "Kd" "Binding constant for CAMK2D kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Calcium/calmodulin-dependent protein kinase type II subunit gamma" "Kinase" "Q13555" "CAMK2G" "KCC2G_HUMAN" 6.85 "Kd" "Binding constant for CAMK2G kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Calcium/calmodulin-dependent protein kinase kinase 1" "Kinase" "Q8N5S9" "CAMKK1" "KKCC1_HUMAN" 6.89 "Kd" "Binding constant for CAMKK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Calcium/calmodulin-dependent protein kinase kinase 2" "Kinase" "Q96RR4" "CAMKK2" "KKCC2_HUMAN" 7.14 "Kd" "Binding constant for CAMKK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Cyclin-dependent kinase 19" "Kinase" "Q9BWU1" "CDK19" "CDK19_HUMAN" 5.14 "Kd" "Binding constant for CDK11 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "MAP kinase-interacting serine/threonine-protein kinase 2" "Kinase" "Q9HBH9" "MKNK2" "MKNK2_HUMAN" 6.02 "Kd" "Binding constant for MKNK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Mitogen-activated protein kinase kinase kinase 9" "Kinase" "P80192" "MAP3K9" "M3K9_HUMAN" 7.82 "Kd" "Binding constant for MLK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Mitogen-activated protein kinase kinase kinase 10" "Kinase" "Q02779" "MAP3K10" "M3K10_HUMAN" 6.1 "Kd" "Binding constant for MLK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Mitogen-activated protein kinase kinase kinase 11" "Kinase" "Q16584" "MAP3K11" "M3K11_HUMAN" 7.77 "Kd" "Binding constant for MLK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase 3" "Kinase" "Q13188" "STK3" "STK3_HUMAN" 7.4 "Kd" "Binding affinity to MST2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Myosin light chain kinase, smooth muscle" "Kinase" "Q15746" "MYLK" "MYLK_HUMAN" 6.66 "Kd" "Binding affinity to MYLK" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase Chk1" "Kinase" "O14757" "CHEK1" "CHK1_HUMAN" 5.89 "Kd" "Binding constant for CHEK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Dual specificity protein kinase CLK2" "Kinase" "P49760" "CLK2" "CLK2_HUMAN" 6.07 "Kd" "Binding constant for CLK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Dual specificity protein kinase CLK4" "Kinase" "Q9HAZ1" "CLK4" "CLK4_HUMAN" 6.39 "Kd" "Binding constant for CLK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Macrophage colony-stimulating factor 1 receptor" "Kinase" "P07333" "CSF1R" "CSF1R_HUMAN" 6.85 "IC50" "Inhibition of human FMS expressed in growth factor dependent mouse FDC-P1 cells assessed as inhibition of FMS-mediated cell proliferation in presence human CSF1 after 48 hrs by resazurin dye reduction assay" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Death-associated protein kinase 1" "Kinase" "P53355" "DAPK1" "DAPK1_HUMAN" 5.33 "Kd" "Binding constant for DAPK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Death-associated protein kinase 3" "Kinase" "O43293" "DAPK3" "DAPK3_HUMAN" 5.75 "Kd" "Binding constant for DAPK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase PAK 1" "Kinase" "Q13153" "PAK1" "PAK1_HUMAN" 5.7 "Kd" "Binding affinity to PAK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase PAK 2" "Kinase" "Q13177" "PAK2" "PAK2_HUMAN" 5.68 "Kd" "Binding affinity to PAK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Tyrosine-protein kinase FRK" "Kinase" "P42685" "FRK" "FRK_HUMAN" 5.62 "Kd" "Binding constant for FRK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Aurora kinase C" "Kinase" "Q9UQB9" "AURKC" "AURKC_HUMAN" 6.77 "Kd" "Binding constant for full-length AURKC" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase BRSK2" "Kinase" "Q8IWQ3" "BRSK2" "BRSK2_HUMAN" 6.19 "Kd" "Binding constant for full-length BRSK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Calcium/calmodulin-dependent protein kinase type 1" "Kinase" "Q14012" "CAMK1" "KCC1A_HUMAN" 5.7 "Kd" "Binding constant for full-length CAMK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "STE20-like serine/threonine-protein kinase" "Kinase" "Q9H2G2" "SLK" "SLK_HUMAN" 6.66 "Kd" "Binding constant for SLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "NUAK family SNF1-like kinase 2" "Kinase" "Q9H093" "NUAK2" "NUAK2_HUMAN" 7.2 "Kd" "Binding constant for SNARK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase SIK1" "Kinase" "P57059" "SIK1" "SIK1_HUMAN" 6.8 "Kd" "Binding constant for SNF1LK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 5.92 "Kd" "Binding constant for SRC kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase 16" "Kinase" "O75716" "STK16" "STK16_HUMAN" 6.55 "Kd" "Binding constant for STK16 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Tyrosine-protein kinase SYK" "Kinase" "P43405" "SYK" "KSYK_HUMAN" 7.06 "Kd" "Binding constant for SYK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase N1" "Kinase" "Q16512" "PKN1" "PKN1_HUMAN" 8.03 "Kd" "Binding constant for PKN1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase N2" "Kinase" "Q16513" "PKN2" "PKN2_HUMAN" 7.82 "Kd" "Binding constant for PKN2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase PLK4" "Kinase" "O00444" "PLK4" "PLK4_HUMAN" 7.18 "Kd" "Binding constant for PLK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Protein kinase C delta type" "Kinase" "Q05655" "PRKCD" "KPCD_HUMAN" 6.5 "Kd" "Binding constant for PRKCD kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Protein kinase C epsilon type" "Kinase" "Q02156" "PRKCE" "KPCE_HUMAN" 6.27 "Kd" "Binding constant for PRKCE kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Protein kinase C eta type" "Kinase" "P24723" "PRKCH" "KPCL_HUMAN" 6.54 "Kd" "Binding constant for PRKCH kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Protein kinase C theta type" "Kinase" "Q04759" "PRKCQ" "KPCT_HUMAN" 6.04 "Kd" "Binding constant for PRKCQ kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Tubulin alpha-1A chain" "Structural" "P68370" "Tuba1a" "TBA1A_RAT" 5.51 "Kd" "Binding constant for ERBB4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Rattus norvegicus" +"midostaurin" 5231 "Tyrosine-protein kinase Fer" "Kinase" "P16591" "FER" "FER_HUMAN" 5.92 "Kd" "Binding constant for FER kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase D2" "Kinase" "Q9BZL6" "PRKD2" "KPCD2_HUMAN" 5.2 "Kd" "Binding constant for PRKD2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase D3" "Kinase" "O94806" "PRKD3" "KPCD3_HUMAN" 5.5 "Kd" "Binding constant for PRKD3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "cGMP-dependent protein kinase 1" "Kinase" "Q13976" "PRKG1" "KGP1_HUMAN" 6.6 "Kd" "Binding constant for PRKG1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "cGMP-dependent protein kinase 2" "Kinase" "Q13237" "PRKG2" "KGP2_HUMAN" 7.13 "Kd" "Binding constant for PRKG2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Interferon-induced, double-stranded RNA-activated protein kinase" "Kinase" "P19525" "EIF2AK2" "E2AK2_HUMAN" 5.16 "Kd" "Binding constant for PRKR kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tbio" "Homo sapiens" +"midostaurin" 5231 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 7.7 "Kd" "Binding constant for RET(V804M) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 5.8 "Kd" "Binding constant for FGFR1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" 5.62 "Kd" "Binding constant for FGFR2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Fibroblast growth factor receptor 3" "Kinase" "P22607" "FGFR3" "FGFR3_HUMAN" 5.77 "Kd" "Binding constant for FGFR3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Tyrosine-protein kinase Fgr" "Kinase" "P09769" "FGR" "FGR_HUMAN" 6.14 "Kd" "Binding constant for FGR kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Vascular endothelial growth factor receptor 1" "Kinase" "P17948" "FLT1" "VGFR1_HUMAN" 6.35 "Kd" "Binding constant for FLT1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Proto-oncogene tyrosine-protein kinase ROS" "Kinase" "P08922" "ROS1" "ROS1_HUMAN" 6.37 "Kd" "Binding constant for ROS1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Ribosomal protein S6 kinase alpha-1" "Kinase" "Q15418" "RPS6KA1" "KS6A1_HUMAN" 6.59 "Kd" "Binding affinity to RPS6KA4(Kin.Dom.1-N-terminal)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Ribosomal protein S6 kinase alpha-2" "Kinase" "Q15349" "RPS6KA2" "KS6A2_HUMAN" 6.62 "Kd" "Binding affinity to RPS6KA5(Kin.Dom.1-N-terminal)" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Ribosomal protein S6 kinase alpha-3" "Kinase" "P51812" "RPS6KA3" "KS6A3_HUMAN" 6.13 "Kd" "Binding constant for RPS6KA3(Kin.Dom.1 - N-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Ribosomal protein S6 kinase alpha-4" "Kinase" "O75676" "RPS6KA4" "KS6A4_HUMAN" 6.59 "Kd" "Binding constant for RPS6KA4(Kin.Dom.1 - C-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Ribosomal protein S6 kinase alpha-5" "Kinase" "O75582" "RPS6KA5" "KS6A5_HUMAN" 6.62 "Kd" "Binding constant for RPS6KA5(Kin.Dom.1 - C-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Dual specificity tyrosine-phosphorylation-regulated kinase 1A" "Kinase" "Q13627" "DYRK1A" "DYR1A_HUMAN" 7 "Kd" "Binding affinity to DYRK1A" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Ephrin type-B receptor 6" "Kinase" "O15197" "EPHB6" "EPHB6_HUMAN" 5.51 "Kd" "Binding affinity to EPHB6" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Receptor tyrosine-protein kinase erbB-4" "Kinase" "Q15303" "ERBB4" "ERBB4_HUMAN" 5.51 "Kd" "Binding affinity to ERBB4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase/endoribonuclease IRE1" "Kinase" "O75460" "ERN1" "ERN1_HUMAN" 5.64 "Kd" "Binding affinity to ERN1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Rhodopsin kinase" "Kinase" "Q15835" "GRK1" "RK_HUMAN" 7.07 "Kd" "Binding affinity to GRK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "G protein-coupled receptor kinase 4" "Kinase" "P32298" "GRK4" "GRK4_HUMAN" 6.96 "Kd" "Binding affinity to GRK4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "G protein-coupled receptor kinase 7" "Kinase" "Q8WTQ7" "GRK7" "GRK7_HUMAN" 7.32 "Kd" "Binding affinity to GRK7" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Homeodomain-interacting protein kinase 2" "Kinase" "Q9H2X6" "HIPK2" "HIPK2_HUMAN" 5.51 "Kd" "Binding affinity to HIPK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Homeodomain-interacting protein kinase 3" "Kinase" "Q9H422" "HIPK3" "HIPK3_HUMAN" 5.64 "Kd" "Binding affinity to HIPK3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tbio" "Homo sapiens" +"midostaurin" 5231 "Homeodomain-interacting protein kinase 4" "Kinase" "Q8NE63" "HIPK4" "HIPK4_HUMAN" 6.02 "Kd" "Binding affinity to HIPK4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Hormonally up-regulated neu tumor-associated kinase" "Kinase" "P57058" "HUNK" "HUNK_HUMAN" 6.62 "Kd" "Binding affinity to HUNK" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tbio" "Homo sapiens" +"midostaurin" 5231 "Inhibitor of nuclear factor kappa-B kinase subunit alpha" "Kinase" "O15111" "CHUK" "IKKA_HUMAN" 5.42 "Kd" "Binding affinity to IKK-alpha" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Tyrosine-protein kinase JAK1" "Kinase" "P23458" "JAK1" "JAK1_HUMAN" 6.17 "Kd" "Binding affinity to JH1 catalytic domain JAK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Mitogen-activated protein kinase kinase kinase 13" "Kinase" "O43283" "MAP3K13" "M3K13_HUMAN" 5.55 "Kd" "Binding affinity to LZK" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tbio" "Homo sapiens" +"midostaurin" 5231 "Mitogen-activated protein kinase kinase kinase 2" "Kinase" "Q9Y2U5" "MAP3K2" "M3K2_HUMAN" 6.85 "Kd" "Binding affinity to MAP3K2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Mitogen-activated protein kinase kinase kinase 3" "Kinase" "Q99759" "MAP3K3" "M3K3_HUMAN" 6.68 "Kd" "Binding affinity to MAP3K3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Mitogen-activated protein kinase kinase kinase kinase 2" "Kinase" "Q12851" "MAP4K2" "M4K2_HUMAN" 5.6 "Kd" "Binding affinity to MAP4K2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Misshapen-like kinase 1" "Kinase" "Q8N4C8" "MINK1" "MINK1_HUMAN" 6.77 "Kd" "Binding affinity to MINK" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta" "Kinase" "O00750" "PIK3C2B" "P3C2B_HUMAN" 5.85 "Kd" "Binding affinity to PIK3C2B" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit gamma" "Kinase" "O75747" "PIK3C2G" "P3C2G_HUMAN" 6.24 "Kd" "Binding affinity to PIK3C2G" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tbio" "Homo sapiens" +"midostaurin" 5231 "Protein kinase C alpha type" "Kinase" "P17252" "PRKCA" "KPCA_HUMAN" 6.14 "Kd" "Binding affinity to PKAC-alpha" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "U4/U6 small nuclear ribonucleoprotein Prp4" "Unclassified" "O43172" "PRPF4" "PRP4_HUMAN" 7.26 "Kd" "Binding affinity to PRP4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase SIK3" "Kinase" "Q9Y2K2" "SIK3" "SIK3_HUMAN" 7.01 "Kd" "Binding affinity to QSK" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase RIO2" "Kinase" "Q9BVS4" "RIOK2" "RIOK2_HUMAN" 7.01 "Kd" "Binding affinity to RIOK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tbio" "Homo sapiens" +"midostaurin" 5231 "Rho-associated protein kinase 1" "Kinase" "Q13464" "ROCK1" "ROCK1_HUMAN" 5.11 "Kd" "Binding affinity to ROCK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Rho-associated protein kinase 2" "Kinase" "O75116" "ROCK2" "ROCK2_HUMAN" 5.64 "Kd" "Binding affinity to ROCK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "SRSF protein kinase 3" "Kinase" "Q9UPE1" "SRPK3" "SRPK3_HUMAN" 7.1 "Kd" "Binding affinity to SRPK3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Mitogen-activated protein kinase kinase kinase 7" "Kinase" "O43318" "MAP3K7" "M3K7_HUMAN" 6.89 "Kd" "Binding affinity to TAK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase TBK1" "Kinase" "Q9UHD2" "TBK1" "TBK1_HUMAN" 8.03 "Kd" "Binding affinity to TBK1" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Tankyrase-2" "Enzyme" "Q9H2K2" "TNKS2" "TNKS2_HUMAN" 6.92 "Kd" "Binding affinity to TNK2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase ULK3" "Kinase" "Q6PHR2" "ULK3" "ULK3_HUMAN" 5.89 "Kd" "Binding affinity to ULK3" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Mitogen-activated protein kinase kinase kinase 19" "Kinase" "Q56UN5" "MAP3K19" "M3K19_HUMAN" 7.82 "Kd" "Binding affinity to YSK4" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase 32A" "Kinase" "Q8WU08" "STK32A" "ST32A_HUMAN" 5.62 "Kd" "Binding constant for YANK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tdark" "Homo sapiens" +"midostaurin" 5231 "Inhibitor of nuclear factor kappa-B kinase subunit beta" "Kinase" "O14920" "IKBKB" "IKKB_HUMAN" 5.2 "Kd" "Binding constant for IKK-beta kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Dual specificity mitogen-activated protein kinase kinase 6" "Kinase" "P52564" "MAP2K6" "MP2K6_HUMAN" 5.19 "Kd" "Binding constant for MEK6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Ribosomal protein S6 kinase beta-1" "Kinase" "P23443" "RPS6KB1" "KS6B1_HUMAN" 5.89 "Kd" "Binding constant for S6K1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Wee1-like protein kinase" "Kinase" "P30291" "WEE1" "WEE1_HUMAN" 5.34 "Kd" "Binding constant for WEE1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase PRP4 homolog" "Kinase" "Q13523" "PRPF4B" "PRP4B_HUMAN" 7.26 "Kd" "Binding constant for PRP4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Dual specificity protein kinase CLK3" "Kinase" "P49761" "CLK3" "CLK3_HUMAN" 5.44 "Kd" "Binding constant for CLK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tbio" "Homo sapiens" +"midostaurin" 5231 "RAC-gamma serine/threonine-protein kinase" "Kinase" "Q9Y243" "AKT3" "AKT3_HUMAN" 5.36 "Kd" "Binding constant for AKT3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform" "Kinase" "P42336" "PIK3CA" "PK3CA_HUMAN" 5.96 "Kd" "Binding constant for PIK3CA(H1047L) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tclin" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase pim-2" "Kinase" "Q9P1W9" "PIM2" "PIM2_HUMAN" 5.51 "Kd" "Binding constant for PIM2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase Sgk3" "Kinase" "Q96BR1" "SGK3" "SGK3_HUMAN" 5.85 "Kd" "Binding constant for SGK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tbio" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase ICK" "Kinase" "Q9UPZ9" "ICK" "ICK_HUMAN" 5.23 "Kd" "Binding constant for ICK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Microtubule-associated serine/threonine-protein kinase 1" "Kinase" "Q9Y2H9" "MAST1" "MAST1_HUMAN" 6.72 "Kd" "Binding constant for MAST1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Serine/threonine-protein kinase 33" "Kinase" "Q9BYT3" "STK33" "STK33_HUMAN" 6.72 "Kd" "Binding constant for STK33 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Mitogen-activated protein kinase 9" "Kinase" "P45984" "MAPK9" "MK09_HUMAN" 5.3 "Kd" "Binding constant for JNK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Myosin light chain kinase 3" "Kinase" "Q32MK0" "MYLK3" "MYLK3_HUMAN" 5.64 "Kd" "Binding constant for MLCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Leucine-rich repeat serine/threonine-protein kinase 2" "Kinase" "Q5S007" "LRRK2" "LRRK2_HUMAN" 6.75 "Kd" "Binding constant for LRRK2(G2019S) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tchem" "Homo sapiens" +"midostaurin" 5231 "Dual serine/threonine and tyrosine protein kinase" "Kinase" "Q6XUX3" "DSTYK" "DUSTY_HUMAN" 5.33 "Kd" "Binding constant for RIPK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Tbio" "Homo sapiens" +"midostaurin" 5231 "Calcium-dependent protein kinase 1" "Kinase" "P62344" "CPK1" "CDPK1_PLAF7" 6.02 "Kd" "Binding constant for PFCDPK1(P.falciparum) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608533" "Plasmodium falciparum" +"abaloparatide" 5232 "Parathyroid hormone/parathyroid hormone-related peptide receptor" "GPCR" "Q03431" "PTH1R" "PTH1R_HUMAN" 9.69999980926514 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/26562265" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/208743lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"brigatinib" 5233 "ALK tyrosine kinase receptor" "Kinase" "Q9UM73" "ALK" "ALK_HUMAN" 9.221848487854 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/27780853" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/208772lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"brigatinib" 5233 "Proto-oncogene tyrosine-protein kinase ROS" "Kinase" "P08922" "ROS1" "ROS1_HUMAN" 8.72124671936035 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/27780853" "INHIBITOR" "Tclin" "Homo sapiens" +"brigatinib" 5233 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 8.6777811050415 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/27780853" "INHIBITOR" "Tclin" "Homo sapiens" +"brigatinib" 5233 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 7.17392539978027 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/27780853" "INHIBITOR" "Tclin" "Homo sapiens" +"brigatinib" 5233 "Insulin-like growth factor 1 receptor" "Kinase" "P08069" "IGF1R" "IGF1R_HUMAN" 7.13667726516724 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/27780853" "INHIBITOR" "Tclin" "Homo sapiens" +"brigatinib" 5233 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" 6.79587984085083 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/27780853" "INHIBITOR" "Tclin" "Homo sapiens" +"durvalumab" 5234 "Programmed cell death 1 ligand 1" "CD molecules" "Q9NZQ7" "CD274" "PD1L1_HUMAN" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/761069s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"cenegermin" 5235 "High affinity nerve growth factor receptor" "Kinase" "P04629" "NTRK1" "NTRK1_HUMAN" "UNKNOWN" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/004209/WC500232105.pdf" "AGONIST" "Tclin" "Homo sapiens" +"cenegermin" 5235 "Tumor necrosis factor receptor superfamily member 16" "Membrane receptor" "P08138" "NGFR" "TNR16_HUMAN" "UNKNOWN" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/004209/WC500232105.pdf" "AGONIST" "Tclin" "Homo sapiens" +"sarilumab" 5237 "Interleukin-6 receptor" "Membrane receptor" "P08887|P40189" "IL6R|IL6ST" "IL6RA_HUMAN|IL6RB_HUMAN" 11.1000003814697 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7999" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/761037s000lbl.pdf" "ANTIBODY BINDING" "Tclin|Tclin" "Homo sapiens" +"evogliptin" 5239 "Dipeptidyl peptidase 4" "Enzyme" "P27487" "DPP4" "DPP4_HUMAN" 9.04575729370117 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/21570283" "http://www.ncbi.nlm.nih.gov/pubmed/21093089" "INHIBITOR" "Tclin" "Homo sapiens" +"polmacoxib" 5240 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 8.08085155487061 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/14761182" "http://www.ncbi.nlm.nih.gov/pubmed/22278334" "INHIBITOR" "Tclin" "Homo sapiens" +"polmacoxib" 5240 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 6.08085107803345 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/14761182" "INHIBITOR" "Tclin" "Homo sapiens" +"betrixaban" 5241 "Coagulation factor X" "Enzyme" "P00742" "F10" "FA10_HUMAN" 8.82390880584717 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/19297154" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/208383s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"betrixaban" 5241 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.75 "Ki" "Binding affinity to human ERG" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL512351" "Tclin" "Homo sapiens" +"voxilaprevir" 5242 "Genome polyprotein" "Polyprotein" "P26663" "POLG_HCVBK" 10.4202165603638 "Ki" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209195s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209195s000lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 1b (isolate BK)" +"voxilaprevir" 5242 "Genome polyprotein" "Polyprotein" "Q81495" "POLG_HCVK3" 10.180456161499 "Ki" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209195s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209195s000lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 3a (isolate k3a) (HCV)" +"corifollitropin alfa" 5245 "Follicle-stimulating hormone receptor" "GPCR" "P23945" "FSHR" "FSHR_HUMAN" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/1446593" "AGONIST" "Tclin" "Homo sapiens" +"guselkumab" 5246 "Interleukin-23" "Cytokine" "P29460|Q9NPF7" "IL12B|IL23A" "IL12B_HUMAN|IL23A_HUMAN" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/761061s000lbl.pdf" "ANTIBODY BINDING" "Tclin|Tclin" "Homo sapiens" +"inotuzumab ozogamicin" 5247 "B-cell receptor CD22" "Membrane receptor" "P20273" "CD22" "CD22_HUMAN" 9.7 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=8266" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/004119/WC500231261.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"inotuzumab ozogamicin" 5247 "DNA" "DNA" "UNKNOWN" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/004119/WC500231261.pdf" "DNA STRAND BREAK" +"pemafibrate" 5248 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 9 "EC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/17553678" "http://www.ncbi.nlm.nih.gov/pubmed/17553678" "AGONIST" "Tclin" "Homo sapiens" +"pemafibrate" 5248 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 5.95860719680786 "EC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/17553678" "AGONIST" "Tclin" "Homo sapiens" +"pemafibrate" 5248 "Peroxisome proliferator-activated receptor delta" "Nuclear hormone receptor" "Q03181" "PPARD" "PPARD_HUMAN" 5.80134296417236 "EC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/17553678" "AGONIST" "Tchem" "Homo sapiens" +"imrecoxib" 5250 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 7.82390880584717 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "Bai AP, Guo ZR, Hu WH, Shen F, Cheng GF., Design, synthesis and in vitro evaluation of a new class of novel cyclooxygenase-2 inhibitors: 3,4-diaryl-3-pyrrolin-2-ones., Chin Chem Lett, 2001, 12, 9, 775–8" "http://www.ncbi.nlm.nih.gov/pubmed/15210067" "INHIBITOR" "Tclin" "Homo sapiens" +"imrecoxib" 5250 "Prostaglandin G/H synthase 2" "Enzyme" "Q05769" "Ptgs2" "PGH2_MOUSE" 7.75 "IC50" "Inhibition of COX2 in mouse peritoneal macrophages" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL504535" "Mus musculus" +"imrecoxib" 5250 "Prostaglandin G/H synthase 1" "Enzyme" "P22437" "Ptgs1" "PGH1_MOUSE" 6.94 "IC50" "Inhibition of COX1 in mouse peritoneal macrophages" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL504535" "Mus musculus" +"enasidenib" 5251 "Isocitrate dehydrogenase [NADP], mitochondrial" "Enzyme" "P48735" "IDH2" "IDHP_HUMAN" 7 "IC50" "inhibition of 2HG production by the IDH2(R140Q) homodimer" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/28193778" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209606s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"neratinib" 5252 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 7.03621196746826 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/15715478" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/208051s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"neratinib" 5252 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 7.22914791107178 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/15715478" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/208051s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"neratinib" 5252 "Receptor tyrosine-protein kinase erbB-4" "Kinase" "Q15303" "ERBB4" "ERBB4_HUMAN" 8.61978912353516 "Kd" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/22037378" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/208051s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"neratinib" 5252 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 6.07 "IC50" "Inhibition of human VEGFR2 in presence of 1 uM ATP" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tclin" "Homo sapiens" +"neratinib" 5252 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 5.22 "Kd" "Binding constant for ABL1(Q252H)-phosphorylated kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tclin" "Homo sapiens" +"neratinib" 5252 "Macrophage colony-stimulating factor 1 receptor" "Kinase" "P07333" "CSF1R" "CSF1R_HUMAN" 6.17 "Kd" "Binding constant for CSF1R kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tclin" "Homo sapiens" +"neratinib" 5252 "Tyrosine-protein kinase Fer" "Kinase" "P16591" "FER" "FER_HUMAN" 6.29 "Kd" "Binding constant for FER kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tclin" "Homo sapiens" +"neratinib" 5252 "Tyrosine-protein kinase Fgr" "Kinase" "P09769" "FGR" "FGR_HUMAN" 5.72 "Kd" "Binding constant for FGR kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Cyclin-G-associated kinase" "Kinase" "O14976" "GAK" "GAK_HUMAN" 6.6 "Kd" "Binding constant for GAK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 6.92 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tclin" "Homo sapiens" +"neratinib" 5252 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 5.39 "Kd" "Binding constant for SRC kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tclin" "Homo sapiens" +"neratinib" 5252 "Tyrosine-protein kinase receptor Tie-1" "Kinase" "P35590" "TIE1" "TIE1_HUMAN" 6.41 "Kd" "Binding constant for TIE1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Tyrosine-protein kinase Yes" "Kinase" "P07947" "YES1" "YES_HUMAN" 6.62 "Kd" "Binding constant for YES kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tclin" "Homo sapiens" +"neratinib" 5252 "Serine/threonine-protein kinase D3" "Kinase" "O94806" "PRKD3" "KPCD3_HUMAN" 5.62 "Kd" "Binding constant for PRKD3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Mitogen-activated protein kinase kinase kinase 4" "Kinase" "Q9Y6R4" "MAP3K4" "M3K4_HUMAN" 7.41 "Kd" "Binding constant for MAP3K4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tbio" "Homo sapiens" +"neratinib" 5252 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 7.89 "Kd" "Binding constant for LOK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Cyclin-dependent kinase 16" "Kinase" "Q00536" "CDK16" "CDK16_HUMAN" 5.64 "Kd" "Binding constant for PCTK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Serine/threonine-protein kinase 3" "Kinase" "Q13188" "STK3" "STK3_HUMAN" 7.24 "Kd" "Binding constant for MST2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Serine/threonine-protein kinase 4" "Kinase" "Q13043" "STK4" "STK4_HUMAN" 6.57 "Kd" "Binding constant for MST1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Mitogen-activated protein kinase kinase kinase 12" "Kinase" "Q12852" "MAP3K12" "M3K12_HUMAN" 6.43 "Kd" "Binding constant for DLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Serine/threonine-protein kinase 25" "Kinase" "O00506" "STK25" "STK25_HUMAN" 7.92 "Kd" "Binding constant for YSK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tbio" "Homo sapiens" +"neratinib" 5252 "Mitogen-activated protein kinase kinase kinase kinase 5" "Kinase" "Q9Y4K4" "MAP4K5" "M4K5_HUMAN" 9.19 "Kd" "Binding constant for MAP4K5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Mitogen-activated protein kinase kinase kinase 2" "Kinase" "Q9Y2U5" "MAP3K2" "M3K2_HUMAN" 6.35 "Kd" "Binding constant for MAP3K2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Insulin receptor-related protein" "Kinase" "P14616" "INSRR" "INSRR_HUMAN" 5.34 "Kd" "Binding constant for INSRR kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "STE20-like serine/threonine-protein kinase" "Kinase" "Q9H2G2" "SLK" "SLK_HUMAN" 7.18 "Kd" "Binding constant for SLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Maternal embryonic leucine zipper kinase" "Kinase" "Q14680" "MELK" "MELK_HUMAN" 5.8 "Kd" "Binding constant for MELK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "NUAK family SNF1-like kinase 1" "Kinase" "O60285" "NUAK1" "NUAK1_HUMAN" 5.82 "Kd" "Binding constant for ARK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Microtubule-associated serine/threonine-protein kinase 1" "Kinase" "Q9Y2H9" "MAST1" "MAST1_HUMAN" 5.26 "Kd" "Binding constant for MAST1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "TRAF2 and NCK-interacting protein kinase" "Kinase" "Q9UKE5" "TNIK" "TNIK_HUMAN" 6.85 "Kd" "Binding constant for TNIK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Serine/threonine-protein kinase SIK2" "Kinase" "Q9H0K1" "SIK2" "SIK2_HUMAN" 5.48 "Kd" "Binding constant for SIK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Serine/threonine-protein kinase 36" "Kinase" "Q9NRP7" "STK36" "STK36_HUMAN" 5.28 "Kd" "Binding constant for STK36 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tbio" "Homo sapiens" +"neratinib" 5252 "Serine/threonine-protein kinase TAO3" "Kinase" "Q9H2K8" "TAOK3" "TAOK3_HUMAN" 5.38 "Kd" "Binding constant for TAOK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tbio" "Homo sapiens" +"neratinib" 5252 "Serine/threonine-protein kinase D2" "Kinase" "Q9BZL6" "PRKD2" "KPCD2_HUMAN" 5.96 "Kd" "Binding constant for PRKD2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Serine/threonine-protein kinase 26" "Kinase" "Q9P289" "STK26" "STK26_HUMAN" 8.13 "Kd" "Binding constant for MST4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tbio" "Homo sapiens" +"neratinib" 5252 "Serine/threonine-protein kinase 32B" "Unclassified" "Q9NY57" "STK32B" "ST32B_HUMAN" 5.19 "Kd" "Binding constant for YANK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Homo sapiens" +"neratinib" 5252 "Serine/threonine-protein kinase PAK 6" "Kinase" "Q9NQU5" "PAK6" "PAK6_HUMAN" 5.13 "Kd" "Binding constant for PAK6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Calcium/calmodulin-dependent protein kinase type 1D" "Kinase" "Q8IU85" "CAMK1D" "KCC1D_HUMAN" 5.25 "Kd" "Binding constant for CAMK1D kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Ribosomal protein S6 kinase alpha-2" "Kinase" "Q15349" "RPS6KA2" "KS6A2_HUMAN" 5.39 "Kd" "Binding constant for RSK3(Kin.Dom.1-N-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Mitogen-activated protein kinase kinase kinase 19" "Kinase" "Q56UN5" "MAP3K19" "M3K19_HUMAN" 7.8 "Kd" "Binding constant for YSK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Dual specificity mitogen-activated protein kinase kinase 2" "Kinase" "P36507" "MAP2K2" "MP2K2_HUMAN" 7.59 "Kd" "Binding constant for MEK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tclin" "Homo sapiens" +"neratinib" 5252 "Serine/threonine-protein kinase 33" "Kinase" "Q9BYT3" "STK33" "STK33_HUMAN" 6.03 "Kd" "Binding constant for STK33 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "NUAK family SNF1-like kinase 2" "Kinase" "Q9H093" "NUAK2" "NUAK2_HUMAN" 6.85 "Kd" "Binding constant for SNARK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Mitogen-activated protein kinase kinase kinase 9" "Kinase" "P80192" "MAP3K9" "M3K9_HUMAN" 5.27 "Kd" "Binding constant for MLK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Serine/threonine-protein kinase 35" "Kinase" "Q8TDR2" "STK35" "STK35_HUMAN" 5.35 "Kd" "Binding constant for STK35 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Mitogen-activated protein kinase kinase kinase MLT" "Kinase" "Q9NYL2" "ZAK" "MLTK_HUMAN" 5.82 "Kd" "Binding constant for ZAK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Homeodomain-interacting protein kinase 4" "Kinase" "Q8NE63" "HIPK4" "HIPK4_HUMAN" 5.82 "Kd" "Binding constant for HIPK4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Dual specificity mitogen-activated protein kinase kinase 5" "Kinase" "Q13163" "MAP2K5" "MP2K5_HUMAN" 7.2 "Kd" "Binding constant for MEK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Dual specificity mitogen-activated protein kinase kinase 7" "Kinase" "O14733" "MAP2K7" "MP2K7_HUMAN" 6.28 "Kd" "Binding constant for MKK7 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tbio" "Homo sapiens" +"neratinib" 5252 "Mitogen-activated protein kinase kinase kinase kinase 4" "Kinase" "O95819" "MAP4K4" "M4K4_HUMAN" 6.48 "Kd" "Binding constant for MAP4K4 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.19 "Kd" "Binding constant for FYN kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tclin" "Homo sapiens" +"neratinib" 5252 "Focal adhesion kinase 1" "Kinase" "Q05397" "PTK2" "FAK1_HUMAN" 5.72 "Kd" "Binding constant for FAK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tclin" "Homo sapiens" +"neratinib" 5252 "Protein-tyrosine kinase 2-beta" "Kinase" "Q14289" "PTK2B" "FAK2_HUMAN" 5.1 "Kd" "Binding constant for PYK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tclin" "Homo sapiens" +"neratinib" 5252 "Serine/threonine-protein kinase SIK1" "Kinase" "P57059" "SIK1" "SIK1_HUMAN" 6.66 "Kd" "Binding constant for SIK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Wee1-like protein kinase 2" "Kinase" "P0C1S8" "WEE2" "WEE2_HUMAN" 5.89 "Kd" "Binding constant for WEE2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tbio" "Homo sapiens" +"neratinib" 5252 "Dual serine/threonine and tyrosine protein kinase" "Kinase" "Q6XUX3" "DSTYK" "DUSTY_HUMAN" 5.19 "Kd" "Binding constant for RIPK5 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tbio" "Homo sapiens" +"neratinib" 5252 "Tyrosine-protein kinase Mer" "Kinase" "Q12866" "MERTK" "MERTK_HUMAN" 6.4 "Kd" "Binding constant for MERTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Tyrosine-protein kinase BTK" "Kinase" "Q06187" "BTK" "BTK_HUMAN" 6.8 "Kd" "Binding constant for BTK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tclin" "Homo sapiens" +"neratinib" 5252 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" 5.52 "Kd" "Binding constant for INSR kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tclin" "Homo sapiens" +"neratinib" 5252 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 5.7 "Kd" "Binding constant for JAK3(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tclin" "Homo sapiens" +"neratinib" 5252 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 5.4 "Kd" "Binding constant for MET kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tclin" "Homo sapiens" +"neratinib" 5252 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 5.52 "Kd" "Binding constant for TIE2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tclin" "Homo sapiens" +"neratinib" 5252 "Serine/threonine-protein kinase Chk2" "Kinase" "O96017" "CHEK2" "CHK2_HUMAN" 6.07 "Kd" "Binding constant for CHEK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Activated CDC42 kinase 1" "Kinase" "Q07912" "TNK2" "ACK1_HUMAN" 6.17 "Kd" "Binding constant for TNK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tclin" "Homo sapiens" +"neratinib" 5252 "Eukaryotic translation initiation factor 2-alpha kinase 4" "Kinase" "Q9P2K8" "EIF2AK4" "E2AK4_HUMAN" 7.02 "Kd" "Binding constant for GCN2(Kin.Dom.2,S808G) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Misshapen-like kinase 1" "Kinase" "Q8N4C8" "MINK1" "MINK1_HUMAN" 7.54 "Kd" "Binding constant for MINK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Mitogen-activated protein kinase kinase kinase kinase 1" "Kinase" "Q92918" "MAP4K1" "M4K1_HUMAN" 7.03 "Kd" "Binding constant for HPK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Serine/threonine-protein kinase Chk1" "Kinase" "O14757" "CHEK1" "CHK1_HUMAN" 5.24 "Kd" "Binding constant for CHEK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Casein kinase I isoform gamma-2" "Kinase" "P78368" "CSNK1G2" "KC1G2_HUMAN" 5.18 "Kd" "Binding constant for CSNK1G2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Interleukin-1 receptor-associated kinase 1" "Kinase" "P51617" "IRAK1" "IRAK1_HUMAN" 5.64 "Kd" "Binding constant for IRAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Tyrosine-protein kinase receptor UFO" "Kinase" "P30530" "AXL" "UFO_HUMAN" 6.72 "Kd" "Binding constant for AXL kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Tyrosine-protein kinase Blk" "Kinase" "P51451" "BLK" "BLK_HUMAN" 7.07 "Kd" "Binding constant for BLK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Cyclin-dependent kinase 7" "Kinase" "P50613" "CDK7" "CDK7_HUMAN" 5.29 "Kd" "Binding constant for CDK7 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Casein kinase I isoform epsilon" "Kinase" "P49674" "CSNK1E" "KC1E_HUMAN" 6.54 "Kd" "Binding constant for CSNK1E kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Receptor tyrosine-protein kinase erbB-3" "Kinase" "P21860" "ERBB3" "ERBB3_HUMAN" 8.11 "Kd" "Binding constant for ERBB3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Tyrosine-protein kinase Fes/Fps" "Kinase" "P07332" "FES" "FES_HUMAN" 6.23 "Kd" "Binding constant for FES kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tclin" "Homo sapiens" +"neratinib" 5252 "Tyrosine-protein kinase HCK" "Kinase" "P08631" "HCK" "HCK_HUMAN" 6.31 "Kd" "Binding constant for HCK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tclin" "Homo sapiens" +"neratinib" 5252 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 6.09 "Kd" "Binding constant for LYN kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tclin" "Homo sapiens" +"neratinib" 5252 "Mitogen-activated protein kinase kinase kinase 3" "Kinase" "Q99759" "MAP3K3" "M3K3_HUMAN" 6.89 "Kd" "Binding constant for MAP3K3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Mitogen-activated protein kinase kinase kinase 11" "Kinase" "Q16584" "MAP3K11" "M3K11_HUMAN" 5.24 "Kd" "Binding constant for MLK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Mitogen-activated protein kinase kinase kinase 10" "Kinase" "Q02779" "MAP3K10" "M3K10_HUMAN" 5.34 "Kd" "Binding constant for MLK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Macrophage-stimulating protein receptor" "Kinase" "Q04912" "MST1R" "RON_HUMAN" 5.08 "Kd" "Binding constant for MST1R kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Serine/threonine-protein kinase Nek2" "Kinase" "P51955" "NEK2" "NEK2_HUMAN" 6.6 "Kd" "Binding constant for NEK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Serine/threonine-protein kinase Nek3" "Kinase" "P51956" "NEK3" "NEK3_HUMAN" 5.62 "Kd" "Binding constant for NEK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tbio" "Homo sapiens" +"neratinib" 5252 "Serine/threonine-protein kinase PAK 1" "Kinase" "Q13153" "PAK1" "PAK1_HUMAN" 6.68 "Kd" "Binding constant for PAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Serine/threonine-protein kinase PAK 2" "Kinase" "Q13177" "PAK2" "PAK2_HUMAN" 7.1 "Kd" "Binding constant for PAK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Serine/threonine-protein kinase D1" "Kinase" "Q15139" "PRKD1" "KPCD1_HUMAN" 6.09 "Kd" "Binding constant for PRKD1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Mitogen-activated protein kinase 8" "Kinase" "P45983" "MAPK8" "MK08_HUMAN" 5.48 "Kd" "Binding constant for JNK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Mitogen-activated protein kinase 10" "Kinase" "P53779" "MAPK10" "MK10_HUMAN" 5.6 "Kd" "Binding constant for JNK3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Dual specificity mitogen-activated protein kinase kinase 1" "Kinase" "Q02750" "MAP2K1" "MP2K1_HUMAN" 7.85 "Kd" "Binding constant for MEK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tclin" "Homo sapiens" +"neratinib" 5252 "Ribosomal protein S6 kinase alpha-1" "Kinase" "Q15418" "RPS6KA1" "KS6A1_HUMAN" 5.13 "Kd" "Binding constant for RSK1(Kin.Dom.1-N-terminal) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Tyrosine-protein kinase SYK" "Kinase" "P43405" "SYK" "KSYK_HUMAN" 5.29 "Kd" "Binding constant for SYK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tclin" "Homo sapiens" +"neratinib" 5252 "Tyrosine-protein kinase TXK" "Kinase" "P42681" "TXK" "TXK_HUMAN" 5.32 "Kd" "Binding constant for TXK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Wee1-like protein kinase" "Kinase" "P30291" "WEE1" "WEE1_HUMAN" 5.39 "Kd" "Binding constant for WEE1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Serine/threonine-protein kinase 24" "Kinase" "Q9Y6E0" "STK24" "STK24_HUMAN" 8.19 "Kd" "Binding constant for MST3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Mitogen-activated protein kinase kinase kinase kinase 3" "Kinase" "Q8IVH8" "MAP4K3" "M4K3_HUMAN" 8.11 "Kd" "Binding constant for MAP4K3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 5.51 "Kd" "Binding constant for FLT3(D835Y) kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tclin" "Homo sapiens" +"neratinib" 5252 "Serine/threonine-protein kinase 17B" "Kinase" "O94768" "STK17B" "ST17B_HUMAN" 5.96 "Kd" "Binding constant for DRAK2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Tyrosine-protein kinase CSK" "Kinase" "P41240" "CSK" "CSK_HUMAN" 6.26 "Kd" "Binding constant for CSK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Casein kinase I isoform gamma-3" "Kinase" "Q9Y6M4" "CSNK1G3" "KC1G3_HUMAN" 5.11 "Kd" "Binding constant for CSNK1G3 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tbio" "Homo sapiens" +"neratinib" 5252 "Ephrin type-B receptor 6" "Kinase" "O15197" "EPHB6" "EPHB6_HUMAN" 5.55 "Kd" "Binding constant for EPHB6 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Mitogen-activated protein kinase kinase kinase kinase 2" "Kinase" "Q12851" "MAP4K2" "M4K2_HUMAN" 6.66 "Kd" "Binding constant for MAP4K2 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"neratinib" 5252 "Mitogen-activated protein kinase kinase kinase 13" "Kinase" "O43283" "MAP3K13" "M3K13_HUMAN" 6.13 "Kd" "Binding constant for LZK kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tbio" "Homo sapiens" +"neratinib" 5252 "Serine/threonine-protein kinase 17A" "Kinase" "Q9UEE5" "STK17A" "ST17A_HUMAN" 6.47 "Kd" "Binding constant for DRAK1 kinase domain" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL180022" "Tchem" "Homo sapiens" +"copanlisib" 5256 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform" "Kinase" "P42336" "PIK3CA" "PK3CA_HUMAN" 9.30103015899658 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/24170767" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209936s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"copanlisib" 5256 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform" "Kinase" "O00329" "PIK3CD" "PK3CD_HUMAN" 9.1549015045166 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/24170767" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209936s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"copanlisib" 5256 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform" "Kinase" "P42338" "PIK3CB" "PK3CB_HUMAN" 8.43179798126221 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/24170767" "INHIBITOR" "Tchem" "Homo sapiens" +"copanlisib" 5256 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform" "Kinase" "P48736" "PIK3CG" "PK3CG_HUMAN" 8.19381999969482 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/24170767" "INHIBITOR" "Tclin" "Homo sapiens" +"butylphthalide" 5257 "Potassium channel subfamily K member 2" "Ion channel" "O95069" "KCNK2" "KCNK2_HUMAN" 7.22184896469116 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/21293470" "BLOCKER" "Tclin" "Homo sapiens" +"tivozanib" 5258 "Vascular endothelial growth factor receptor 1" "Kinase" "P17948" "FLT1" "VGFR1_HUMAN" 9.677781 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/16982756" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/004131/WC500239033.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"tivozanib" 5258 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 9.79588 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/16982756" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/004131/WC500239033.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"tivozanib" 5258 "Vascular endothelial growth factor receptor 3" "Kinase" "P35916" "FLT4" "VGFR3_HUMAN" 9.619789 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/16982756" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/004131/WC500239033.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"tivozanib" 5258 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 8.787812 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/16982756" "INHIBITOR" "Tclin" "Homo sapiens" +"tivozanib" 5258 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 8.764472 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/16982756" "INHIBITOR" "Tclin" "Homo sapiens" +"tivozanib" 5258 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 6.374688 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/16982756" "INHIBITOR" "Tclin" "Homo sapiens" +"tivozanib" 5258 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 6.524329 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/16982756" "INHIBITOR" "Tclin" "Homo sapiens" +"tivozanib" 5258 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 5.866461 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/16982756" "INHIBITOR" "Tclin" "Homo sapiens" +"abemaciclib" 5259 "Cyclin-dependent kinase 4" "Kinase" "P11802" "CDK4" "CDK4_HUMAN" 9.22184875 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/24919854" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/208716Orig1s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"abemaciclib" 5259 "Cyclin-dependent kinase 6" "Kinase" "Q00534" "CDK6" "CDK6_HUMAN" 8.619788758 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/24919854" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/208716Orig1s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"acalabrutinib" 5260 "Tyrosine-protein kinase BTK" "Kinase" "Q06187" "BTK" "BTK_HUMAN" 8.29243 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/26641137" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/210259s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"acalabrutinib" 5260 "Cytoplasmic tyrosine-protein kinase BMX" "Kinase" "P51813" "BMX" "BMX_HUMAN" 7.337242 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/26641137" "INHIBITOR" "Tchem" "Homo sapiens" +"acalabrutinib" 5260 "Tyrosine-protein kinase Tec" "Kinase" "P42680" "TEC" "TEC_HUMAN" 7.031517 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/26641137" "INHIBITOR" "Tchem" "Homo sapiens" +"acalabrutinib" 5260 "Tyrosine-protein kinase TXK" "Kinase" "P42681" "TXK" "TXK_HUMAN" 6.434152 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/26641137" "INHIBITOR" "Tchem" "Homo sapiens" +"acalabrutinib" 5260 "Receptor tyrosine-protein kinase erbB-4" "Kinase" "Q15303" "ERBB4" "ERBB4_HUMAN" 7.79588 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/26641137" "INHIBITOR" "Tclin" "Homo sapiens" +"acalabrutinib" 5260 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 6 "EC50" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=8912" "INHIBITOR" "Tclin" "Homo sapiens" +"latanoprostene bunod" 5261 "Prostaglandin F2-alpha receptor" "GPCR" "P43088" "PTGFR" "PF2R_HUMAN" 8.6 "Ki" "Value based on agonist activity of latanoprost." "IUPHAR" "~" 1 "SCIENTIFIC LITERATURE" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=9635" "http://www.ncbi.nlm.nih.gov/pubmed/21396362" "AGONIST" "Tclin" "Homo sapiens" +"latanoprostene bunod" 5261 "Prostaglandin F2-alpha receptor" "GPCR" "P37289" "PTGFR" "PF2R_BOVIN" 7.01 "Ki" "Displacement of [3H]PGF2 alpha from FP receptor in bovine corpus luteum membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1050" "Bos taurus" +"letermovir" 5262 "DNA terminase complex" "Enzyme" "F5HC79|F5HCU8|F5HGI9" "TRM1|TRM2|TRM3" "TRM1_HCMVM|TRM2_HCMVM|TRM3_HCMVM" 8.677780705 "EC50" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209939Orig1s000,209940Orig1s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209939Orig1s000,209940Orig1s000lbl.pdf" "INHIBITOR" "Tclin" "Human cytomegalovirus (strain Merlin)" +"benralizumab" 5263 "Interleukin-5 receptor subunit alpha" "Membrane receptor" "Q01344" "IL5RA" "IL5RA_HUMAN" 10.95860731 "Kd" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/761070s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/761070s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"semaglutide" 5267 "Glucagon-like peptide 1 receptor" "GPCR" "P43220" "GLP1R" "GLP1R_HUMAN" 9.420216403 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/26308095" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209637lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"netarsudil" 5269 "Rho-associated protein kinase 2" "Kinase" "O75116" "ROCK2" "ROCK2_HUMAN" 8.376751 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/27072905" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/208254lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"ertugliflozin" 5270 "Sodium/glucose cotransporter 2" "Transporter" "P31639" "SLC5A2" "SC5A2_HUMAN" 9.057 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/21449606" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209803s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"ertugliflozin" 5270 "Sodium/glucose cotransporter 1" "Transporter" "P13866" "SLC5A1" "SC5A1_HUMAN" 5.707744 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/21449606" "INHIBITOR" "Tclin" "Homo sapiens" +"ertugliflozin" 5270 "Low affinity sodium-glucose cotransporter" "Transporter" "Q9NY91" "SLC5A4" "SC5A4_HUMAN" 9.06 "IC50" "Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1770248" "Tchem" "Homo sapiens" +"ertugliflozin" 5270 "Sodium/glucose cotransporter 2" "Transporter" "P53792" "Slc5a2" "SC5A2_RAT" 8.94 "IC50" "Inhibition of rat SGLT2" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1770248" "Rattus norvegicus" +"macimorelin" 5271 "Growth hormone secretagogue receptor type 1" "GPCR" "Q92847" "GHSR" "GHSR_HUMAN" 7.81 "IC50" "In a radioligand displacement assay using 125I-labeled ghrelin as the probe, and human pituitary gland samples." "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=9745" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/205598s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"angiotensin II" 5272 "Type-1 angiotensin II receptor" "GPCR" "P30556" "AGTR1" "AGTR1_HUMAN" 9.3 "IC50" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2504" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209360s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"angiotensin II" 5272 "Type-2 angiotensin II receptor" "GPCR" "P50052" "AGTR2" "AGTR2_HUMAN" 10.2 "Kd" "IUPHAR" "=" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2504" "AGONIST" "Tchem" "Homo sapiens" +"angiotensin II" 5272 "Type-1B angiotensin II receptor" "GPCR" "P29089" "Agtr1b" "AGTRB_RAT" 9.51 "Ki" "In vitro binding affinity at rat liver Angiotensin II receptor, type 1 was determined based on displacement of [125I]-Ang II" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408403" "Rattus norvegicus" +"angiotensin II" 5272 "Type-1 angiotensin II receptor" "GPCR" "P25104" "AGTR1" "AGTR1_BOVIN" 8.24 "Kd" "Dissociation constant for [125 I] Ang binding to type 1 Angiotensin II receptor of bovine adrenocortical membranes" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408403" "Bos taurus" +"angiotensin II" 5272 "Type-1A angiotensin II receptor" "GPCR" "P25095" "Agtr1" "AGTRA_RAT" 9.4 "IC50" "Displacement of [125I]Sar1,Ile8-Ang2 from AT1 receptor in Wistar rat hepatic membrane" "CHEMBL" "=" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408403" "Rattus norvegicus" +"bictegravir" 5274 "Integrase" "Enzyme" "Q7ZJM1" "pol" "Q7ZJM1_9HIV1" 8.124939 "IC50" "HIV-1 integrase catalyzed strand transfer" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/27645238" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209360s000lbl.pdf" "INHIBITOR" "Human immunodeficiency virus 1" +"lutetium (177Lu) oxodotreotide" 5275 "Somatostatin receptor type 2" "GPCR" "P30874" "SSTR2" "SSR2_HUMAN" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/208700s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"tezacaftor" 5276 "Cystic fibrosis transmembrane conductance regulator" "Ion channel" "P13569" "CFTR" "CFTR_HUMAN" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210491lbl.pdf" "PHARMACOLOGICAL CHAPERONE" "Tclin" "Homo sapiens" +"elobixibat" 5277 "Ileal sodium/bile acid cotransporter" "Transporter" "Q12908" "SLC10A2" "NTCP2_HUMAN" 9.275724 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://dx.doi.org/10.1016/S0016-5085(10)61017-7" "http://dx.doi.org/10.1016/S0016-5085(10)61017-7" "INHIBITOR" "Tclin" "Homo sapiens" +"apalutamide" 5278 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 7.79588 "IC50" "equilibrium-binding affinity of ARN-509 for AR measured in competition with 16b-[18F]fluoro-5a-DHT" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/22266222" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210951s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"ibalizumab" 5279 "T-cell surface glycoprotein CD4" "Membrane receptor" "P01730" "CD4" "CD4_HUMAN" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/761065s001lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"fostamatinib" 5280 "Tyrosine-protein kinase SYK" "Kinase" "P43405" "SYK" "KSYK_HUMAN" 7.387216143 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/16946104" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/209299lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"fostamatinib" 5280 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 7.091514981 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/16946104" "INHIBITOR" "Tchem" "Homo sapiens" +"tildrakizumab" 5281 "Interleukin-23" "Cytokine" "P29460|Q9NPF7" "IL12B|IL23A" "IL12B_HUMAN|IL23A_HUMAN" 9.5 "Kd" "IUPHAR" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=8093" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/761067s000lbl.pdf" "ANTIBODY BINDING" "Tclin|Tclin" "Homo sapiens" +"burosumab" 5282 "Fibroblast growth factor 23" "Secreted" "Q9GZV9" "FGF23" "FGF23_HUMAN" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/761068s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"fosnetupitant" 5283 "Substance-P receptor" "GPCR" "P25103" "TACR1" "NK1R_HUMAN" 9.02227592468262 "Ki" "displacement of [3H]-labelled substance P from cloned human receptor expressed in CHO cells" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/16332435" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210493s000lbl.pdf/drugsatfda_docs/label/2014/125477s007lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"erenumab" 5284 "Calcitonin-gene-related peptide receptor" "GPCR" "O60894|Q16602" "CALCRL|RAMP1" "CALRL_HUMAN|RAMP1_HUMAN" 10.69897 "Ki" "SCIENTIFIC LITERATURE" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/26559125" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/761077s000lbl.pdf" "ANTIBODY BINDING" "Tclin|Tclin" "Homo sapiens" +"avatrombopag" 5285 "Thrombopoietin receptor" "Membrane receptor" "P40238" "MPL" "TPOR_HUMAN" 8.481486 "EC50" "SCIENTIFIC LITERATURE" "-" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/19183407" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210238s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"moxidectin" 5286 "Glutamate-gated chloride channel" "Ion channel" "Q25634" "GluClX" "Q25634_ONCVO" "UNKNOWN" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/25651699" "INHIBITOR" "Onchocerca volvulus" +"plazomicin" 5287 "30S ribosomal protein" "Ribosomal protein" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210303Orig1s000lbl.pdf" "INHIBITOR" +"cannabidiol" 5288 "G-protein coupled receptor 55" "GPCR" "Q9Y2T6" "GPR55" "GPR55_HUMAN" "UNKNOWN" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/23108553" "ANTAGONIST" "Tclin" "Homo sapiens" +"cannabidiol" 5288 "Transient receptor potential cation channel subfamily V member 1" "Ion channel" "Q8NER1" "TRPV1" "TRPV1_HUMAN" "UNKNOWN" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/23108553" "INHIBITOR" "Tclin" "Homo sapiens" +"encorafenib" 5289 "Serine/threonine-protein kinase B-raf" "Kinase" "P15056" "BRAF" "BRAF_HUMAN" 9.327902 "IC50" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210496lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210496lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"encorafenib" 5289 "RAF proto-oncogene serine/threonine-protein kinase" "Kinase" "P04049" "RAF1" "RAF1_HUMAN" 9.522879 "IC50" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210496lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210496lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"binimetinib" 5290 "Dual specificity mitogen-activated protein kinase kinase 1" "Kinase" "Q02750" "MAP2K1" "MP2K1_HUMAN" 7.9 "IC50" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7921" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210498lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"binimetinib" 5290 "Dual specificity mitogen-activated protein kinase kinase 2" "Kinase" "P36507" "MAP2K2" "MP2K2_HUMAN" 7.9 "IC50" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7921" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210498lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"tecovirimat" 5291 "Envelope protein F13" "Viral envelope protein" "P33815" "C17L" "F13_VAR67" 7.381951903 "EC50" "activity in cell culture assays" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/208627s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/208627s000lbl.pdf" "INHIBITOR" "Tclin" "Variola virus (isolate Human/India/Ind3/1967)" +"ivosidenib" 5292 "Isocitrate dehydrogenase [NADP] cytoplasmic" "Enzyme" "O75874" "IDH1" "IDHC_HUMAN" 7.1487416513 "IC50" "The enzyme and compound were preincubated for 1h" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/29670690" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/211192s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"elagolix" 5293 "Gonadotropin-releasing hormone receptor" "GPCR" "P30968" "GNRHR" "GNRHR_HUMAN" 8.823908741 "IC50" "determined by competition for [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt-]GnRH from human GnRH receptor" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/19006286" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210450s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"eravacycline dihydrochloride" 5294 "30S ribosomal protein S10" "Ribosomal protein" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/211109lbl.pdf" +"doravirine" 5295 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" 7.920818754 "EC50" "cellular activity; wild type " "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210806s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210806s000lbl.pdf" "INHIBITOR" "Human immunodeficiency virus 1" +"duvelisib" 5296 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform" "Kinase" "O00329" "PIK3CD" "PK3CD_HUMAN" 10.63827216 "Kd" "Enzymatic assay at 3mM ATP (nM)" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/24211136" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/211155s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"duvelisib" 5296 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform" "Kinase" "P48736" "PIK3CG" "PK3CG_HUMAN" 9.619788758 "Kd" "Enzymatic assay at 3mM ATP (nM)" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/24211136" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/211155s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"dacomitinib" 5297 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 8.22184875 "IC50" "ELISA-Based erbB Kinase Assay with 20 uM [ATP]" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/30506139" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/211288s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"dacomitinib" 5297 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 7.3400838 "IC50" "ELISA-Based erbB Kinase Assay with 20 uM [ATP]" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/30506139" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/211288s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"dacomitinib" 5297 "Receptor tyrosine-protein kinase erbB-4" "Kinase" "Q15303" "ERBB4" "ERBB4_HUMAN" 7.132532512 "IC50" "ELISA-Based erbB Kinase Assay with 20 uM [ATP]" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/30506139" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/211288s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"sarecycline" 5298 "70S ribosomal protein" "Ribosomal protein" "UNKNOWN" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/24002361" "INHIBITOR" +"omadacycline" 5299 "30S ribosomal protein" "Ribosomal protein" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/209816_209817lbl.pdf" "INHIBITOR" +"talazoparib tosylate" 5300 "Poly [ADP-ribose] polymerase 1" "Enzyme" "P09874" "PARP1" "PARP1_HUMAN" 8.920818754 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/26652717" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/211651s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"talazoparib tosylate" 5300 "Poly [ADP-ribose] polymerase 2" "Enzyme" "Q9UGN5" "PARP2" "PARP2_HUMAN" 9.060480747 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/26652717" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/211651s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"baloxavir marboxil" 5301 "Polymerase acidic protein" "Enzyme" "P03433" "PA" "PA_I34A1" 8.853872 "IC50" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210854s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210854s000lbl.pdf" "INHIBITOR" "Tclin" "Influenza A virus (strain A/Puerto Rico/8/1934 H1N1)" +"lorlatinib" 5302 "ALK tyrosine kinase receptor" "Kinase" "Q9UM73" "ALK" "ALK_HUMAN" 9.9586073148 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/26144315" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210868s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"lorlatinib" 5302 "Proto-oncogene tyrosine-protein kinase ROS" "Kinase" "P08922" "ROS1" "ROS1_HUMAN" 9.3010299957 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/27401242" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210868s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"lorlatinib" 5302 "Leukocyte tyrosine kinase receptor" "Kinase" "P29376" "LTK" "LTK_HUMAN" 8.568636236 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/25733882" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210868s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"lorlatinib" 5302 "Tyrosine-protein kinase Fer" "Kinase" "P16591" "FER" "FER_HUMAN" 8.48148606 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/25733882" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210868s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"lorlatinib" 5302 "Tyrosine-protein kinase Fes/Fps" "Kinase" "P07332" "FES" "FES_HUMAN" 8.2218487496 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/25733882" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210868s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"lorlatinib" 5302 "High affinity nerve growth factor receptor" "Kinase" "P04629" "NTRK1" "NTRK1_HUMAN" 7.619788758 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/25733882" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210868s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"lorlatinib" 5302 "BDNF/NT-3 growth factors receptor" "Kinase" "Q16620" "NTRK2" "NTRK2_HUMAN" 7.638272164 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/25733882" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210868s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"lorlatinib" 5302 "NT-3 growth factor receptor" "Kinase" "Q16288" "NTRK3" "NTRK3_HUMAN" 7.337242168 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/25733882" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210868s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"lorlatinib" 5302 "Focal adhesion kinase 1" "Kinase" "Q05397" "PTK2" "FAK1_HUMAN" 7.769551079 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/25733882" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210868s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"lorlatinib" 5302 "Protein-tyrosine kinase 2-beta" "Kinase" "Q14289" "PTK2B" "FAK2_HUMAN" 7.853871964 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/25733882" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210868s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"lorlatinib" 5302 "Activated CDC42 kinase 1" "Kinase" "Q07912" "TNK2" "ACK1_HUMAN" 7.769551079 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/25733882" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210868s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"revefenacin" 5303 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 9.38 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/29736245" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210598s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"revefenacin" 5303 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 9.52 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/29736245" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210598s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"revefenacin" 5303 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 9.75 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/29736245" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210598s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"revefenacin" 5303 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 9.26 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/29736245" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210598s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"revefenacin" 5303 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 8.2 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/29736245" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210598s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"glasdegib" 5304 "Smoothened homolog" "GPCR" "Q99835" "SMO" "SMO_HUMAN" 8.301029996 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/24900436" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210656s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"larotrectinib" 5305 "High affinity nerve growth factor receptor" "Kinase" "P04629" "NTRK1" "NTRK1_HUMAN" 8.187086643 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/21138586" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210861s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"larotrectinib" 5305 "BDNF/NT-3 growth factors receptor" "Kinase" "Q16620" "NTRK2" "NTRK2_HUMAN" 8.091514981 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/21138586" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210861s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"larotrectinib" 5305 "NT-3 growth factor receptor" "Kinase" "Q16288" "NTRK3" "NTRK3_HUMAN" 7.974694135 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/21138586" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210861s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"gilteritinib" 5306 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 8.301029996 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/27908881" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/211349s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"evocalcet" 5307 "Extracellular calcium-sensing receptor" "GPCR" "P41180" "CASR" "CASR_HUMAN" 7.031517051 "EC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/29724589" "http://www.ncbi.nlm.nih.gov/pubmed/29724589" "AGONIST" "Tclin" "Homo sapiens" +"caplacizumab" 5308 "von Willebrand factor" "Unclassified" "P04275" "VWF" "VWF_HUMAN" 8.508638306 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=9123" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"lanadelumab" 5309 "Plasma kallikrein" "Enzyme" "P03952" "KLKB1" "KLKB1_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/30267321" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/761090s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"vibegron" 5311 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 8.958607315 "EC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/30411311" "http://www.ncbi.nlm.nih.gov/pubmed/30411311" "AGONIST" "Tclin" "Homo sapiens" +"omidenepag isopropyl" 5312 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "P43116" "PTGER2" "PE2R2_HUMAN" 8.080921908 "EC50" "activity measured for the active metabolite (omidenepag)" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/30465134" "http://www.ncbi.nlm.nih.gov/pubmed/30465134" "AGONIST" "Tclin" "Homo sapiens" +"patisiran" 5313 "transthyretin (TTR) mRNA" "RNA" "P02766" "TTR" "TTHY_HUMAN" "Mechanism of Action" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210922s000lbl.pdf" "ANTISENSE INHIBITOR" "Tclin" "Homo sapiens" +"moxetumomab pasudotox" 5314 "B-cell receptor CD22" "Membrane receptor" "P20273" "CD22" "CD22_HUMAN" 8.2 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7675" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/761104s000lbl.pdf" "BINDING AGENT" "Tclin" "Homo sapiens" +"fremanezumab" 5315 "Calcitonin gene-related peptide 1" "GPCR" "P06881" "CALCA" "CALCA_HUMAN" 10.3 "Kd" "IUPHAR" ">" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=9208" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/761089s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"galcanezumab" 5316 "Calcitonin gene-related peptide 1" "GPCR" "P06881" "CALCA" "CALCA_HUMAN" 8.7 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=8967" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/761063s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"cemiplimab" 5317 "Programmed cell death protein 1" "Membrane receptor" "Q15116" "PDCD1" "PDCD1_HUMAN" 7.102372909 "Kd" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/28265006" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/761097s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"elapegademase" 5318 "adenosine" "Unclassified" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/761092s000lbl.pdf" "OTHER" +"inotersen " 5319 "transthyretin (TTR) mRNA" "RNA" "P02766" "TTR" "TTHY_HUMAN" "Mechanism of Action" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/211172lbl.pdf" "ANTISENSE INHIBITOR" "Tclin" "Homo sapiens" +"emapalumab" 5320 "Interferon gamma" "Cytokine" "P01579" "IFNG" "IFNG_HUMAN" 9.1 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=9295" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/761107s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"calaspargase pegol" 5321 "L-asparagine" "Amino acid" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/761102s000lbl.pdf" "OTHER" +"ravulizumab" 5322 "Complement C5" "Secreted" "P01031" "C5" "CO5_HUMAN" 9.356547324 "Kd" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/29649283" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/761108s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"tagraxofusp" 5323 "Interleukin-3 receptor" "Membrane receptor" "P26951|P32927" "CSF2RB|IL3RA" "IL3RA_HUMAN|IL3RB_HUMAN" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/761116s000lbl.pdf" "BINDING AGENT" "Tclin" "Homo sapiens" +"brexanolone" 5324 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRB2|GABRG2" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG2_HUMAN" 7.2218 "EC50" "Possible target. Activity determined against recombinant Ltk cells" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2019/211371Orig1s000MultidisciplineR.pdf" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"brexanolone" 5324 "GABA A receptor alpha-4/beta-3/delta" "Ion channel" "O14764|P28472|P48169" "GABRA4|GABRB3|GABRD" "GBRA4_HUMAN|GBRB3_HUMAN|GBRD_HUMAN" 7.0969 "EC50" "Possible target. Activity determined against recombinant CHO cells" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2019/211371Orig1s000MultidisciplineR.pdf" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"brexanolone" 5324 "GABA-A receptor alpha-6/beta-3/delta" "Ion channel" "O14764|P28472|Q16445" "GABRA6|GABRB3|GABRD" "GBRA6_HUMAN|GBRB3_HUMAN|GBRD_HUMAN" 6.8097 "EC50" "Possible target. Activity determined against recombinant CHO cells" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2019/211371Orig1s000MultidisciplineR.pdf" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin" "Homo sapiens" +"solriamfetol" 5325 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 4.8477 "Ki" "Binding affinity" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/211230s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"solriamfetol" 5325 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.4318 "Ki" "Binding affinity" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/211230s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"solriamfetol" 5325 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 4.088 "Ki" "Binding affinity" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/211230s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"siponimod" 5326 "Sphingosine 1-phosphate receptor 1" "GPCR" "P21453" "S1PR1" "S1PR1_HUMAN" 9.4089 "EC50" "Possible mechanism of action" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/31144287" "http://www.ncbi.nlm.nih.gov/pubmed/31144287" "MODULATOR" "Tclin" "Homo sapiens" +"siponimod" 5326 "Sphingosine 1-phosphate receptor 5" "GPCR" "Q9H228" "S1PR5" "S1PR5_HUMAN" 9.0088 "EC50" "Possible mechanism of action" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/31144287" "http://www.ncbi.nlm.nih.gov/pubmed/31144287" "MODULATOR" "Tclin" "Homo sapiens" +"siponimod" 5326 "Sphingosine 1-phosphate receptor 2" "GPCR" "O95136" "S1PR2" "S1PR2_HUMAN" 4 "EC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/31144287" "MODULATOR" "Tchem" "Homo sapiens" +"siponimod" 5326 "Sphingosine 1-phosphate receptor 3" "GPCR" "Q99500" "S1PR3" "S1PR3_HUMAN" 3 "EC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/31144287" "MODULATOR" "Tclin" "Homo sapiens" +"siponimod" 5326 "Sphingosine 1-phosphate receptor 4" "GPCR" "O95977" "S1PR4" "S1PR4_HUMAN" 6.1249 "EC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/31144287" "MODULATOR" "Tclin" "Homo sapiens" +"erdafitinib" 5327 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 8.9208 "IC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/31161538" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212018s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"erdafitinib" 5327 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" 8.6021 "IC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/31161538" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212018s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"erdafitinib" 5327 "Fibroblast growth factor receptor 3" "Kinase" "P22607" "FGFR3" "FGFR3_HUMAN" 8.5229 "IC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/31161538" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212018s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"erdafitinib" 5327 "Fibroblast growth factor receptor 4" "Kinase" "P22455" "FGFR4" "FGFR4_HUMAN" 8.2441 "IC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/31161538" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212018s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"erdafitinib" 5327 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 7.4342 "IC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/31161538" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212018s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"alpelisib" 5328 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform" "Kinase" "P42336" "PIK3CA" "PK3CA_HUMAN" 8.3372 "IC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/31256368" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212526s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"bremelanotide" 5329 "Melanocyte-stimulating hormone receptor" "GPCR" "Q01726" "MC1R" "MSHR_HUMAN" "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/210557s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"bremelanotide" 5329 "Melanocortin receptor 3" "GPCR" "P41968" "MC3R" "MC3R_HUMAN" "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/210557s000lbl.pdf" "AGONIST" "Tchem" "Homo sapiens" +"bremelanotide" 5329 "Melanocortin receptor 5" "GPCR" "P33032" "MC5R" "MC5R_HUMAN" "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/210557s000lbl.pdf" "AGONIST" "Tchem" "Homo sapiens" +"bremelanotide" 5329 "Adrenocorticotropic hormone receptor" "GPCR" "Q01718" "MC2R" "ACTHR_HUMAN" "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/210557s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"bremelanotide" 5329 "Melanocortin receptor 4" "GPCR" "P32245" "MC4R" "MC4R_HUMAN" 8 "Kd" "Functional evaluation of PT‐141 at the MC4R was performed by measuring the accumulation of intracellular cAMP in HEK‐293 cells expressing MC4R" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/12851303" "http://www.ncbi.nlm.nih.gov/pubmed/12851303" "AGONIST" "Tclin" "Homo sapiens" +"selinexor" 5330 "Exportin-1" "Nuclear other" "O14980" "XPO1" "XPO1_HUMAN" 7.7 "IC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://clinicaltrials.gov/ProvidedDocs/61/NCT02215161/Prot_SAP_000.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212306s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"prabotulinumtoxinA" 5331 "Synaptosomal-associated protein 25" "Cytosolic other" "P60880" "SNAP25" "SNP25_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/761085s000lbl.pdf" "BLOCKER" "Tclin" "Homo sapiens" +"polatuzumab vedotin" 5333 "B-cell antigen receptor complex-associated protein beta chain" "Tumour-associated antigen" "P40259" "CD79B" "CD79B_HUMAN" "Mechanism of Action" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/761121s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" +"polatuzumab vedotin" 5333 "Tubulin beta" "Tumour-associated antigen" "P04350|P07437|P68371|Q13509|Q13885|Q3ZCM7|Q9BUF5|Q9BVA1|Q9H4B7" "TUBB|TUBB1|TUBB2A|TUBB2B|TUBB3|TUBB4A|TUBB4B|TUBB6|TUBB8" "TBB1_HUMAN|TBB2A_HUMAN|TBB2B_HUMAN|TBB3_HUMAN|TBB4A_HUMAN|TBB4B_HUMAN|TBB5_HUMAN|TBB6_HUMAN|TBB8_HUMAN" "Mechanism of Action" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/761121s000lbl.pdf" "BINDING AGENT" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"darolutamide" 5334 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 7.187 "IC50" "Competitively inhibits androgen binding" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/26137992" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212099Orig1s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"darolutamide" 5334 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212099Orig1s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"volanesorsen" 5335 "apolipoprotein C-III (apoC-III) mRNA" "RNA" "P02656" "APOC3" "APOC3_HUMAN" "Mechanism of Action" "UNKNOWN" 1 "DRUG LABEL" "https://www.ema.europa.eu/en/documents/assessment-report/waylivra-epar-public-assessment-report_en.pdf" "ANTISENSE INHIBITOR" "Tclin" "Homo sapiens" +"andexanet alfa" 5336 "rivaroxaban" "Drug" "Mechanism of Action" "UNKNOWN" 1 "DRUG LABEL" "https://www.fda.gov/media/113279/download" "BINDING AGENT" +"andexanet alfa" 5336 "apixaban" "Drug" "Mechanism of Action" "UNKNOWN" 1 "DRUG LABEL" "https://www.fda.gov/media/113279/download" "BINDING AGENT" +"risankizumab" 5337 "Interleukin-23 subunit alpha" "Cytokine" "Q9NPF7" "IL23A" "IL23A_HUMAN" 11 "Kd" "selectively binds to the p19 subunit of human IL-23" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/25905918" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/761105s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"ropeginterferon alfa-2b" 5338 "Interferon alpha/beta receptor" "Membrane receptor" "P17181|P48551" "IFNAR1|IFNAR2" "INAR1_HUMAN|INAR2_HUMAN" "Patients showed a statistically significant difference in the JAK2V617F allele burden (19.7%) and JAK2V617F allele change from baseline (-22.9%)" "DRUG LABEL" 1 "DRUG LABEL" "https://www.ema.europa.eu/en/documents/product-information/besremi-epar-product-information_en.pdf" "BINDING AGENT" "Tclin|Tclin" "Homo sapiens" +"sotagliflozin" 5339 "Sodium/glucose cotransporter 1" "Transporter" "P13866" "SLC5A1" "SC5A1_HUMAN" 7.4436 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/22739142" "https://www.ema.europa.eu/en/documents/product-information/zynquista-epar-product-information_en.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"sotagliflozin" 5339 "Sodium/glucose cotransporter 2" "Transporter" "P31639" "SLC5A2" "SC5A2_HUMAN" 8.7447 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/22739142" "https://www.ema.europa.eu/en/documents/product-information/zynquista-epar-product-information_en.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"pegvaliase" 5340 "phenylalanine" "Amino acid" "DRUG LABEL" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/761079s000lbl.pdf" "PROTEOLYTIC ENZYME" +"quizartinib" 5341 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 8.796 "Kd" "FLT3 binding affinity in biochemical assay" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/19754199" "http://www.ncbi.nlm.nih.gov/pubmed/19654408" "INHIBITOR" "Tclin" "Homo sapiens" +"relebactam" 5342 "Beta-lactamase" "Enzyme" "Q2PUH3" "blaCTX-M-15" "Q2PUH3_KLEPN" 6.4 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/31383664" "http://www.ncbi.nlm.nih.gov/pubmed/31383664" "INHIBITOR" "Klebsiella pneumoniae" +"relebactam" 5342 "Beta-lactamase" "Enzyme" "Q9X5A7" "L2camp" "Q9X5A7_STEMA" 6.33 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/31383664" "http://www.ncbi.nlm.nih.gov/pubmed/31383664" "INHIBITOR" "Stenotrophomonas maltophilia" +"relebactam" 5342 "Beta-lactamase" "Enzyme" "Q93LQ9" "KPC-2" "Q93LQ9_KLEPN" 6.64 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/31383664" "http://www.ncbi.nlm.nih.gov/pubmed/31383664" "INHIBITOR" "Klebsiella pneumoniae" +"relebactam" 5342 "Beta-lactamase" "Enzyme" "Q93DC4" "bla" "Q93DC4_KLEPN" 6.59 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/31383664" "http://www.ncbi.nlm.nih.gov/pubmed/31383664" "INHIBITOR" "Klebsiella pneumoniae" +"relebactam" 5342 "Beta-lactamase" "Enzyme" "B1PL86" "blaKPC-4" "B1PL86_KLEPN" 6.04 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/31383664" "http://www.ncbi.nlm.nih.gov/pubmed/31383664" "INHIBITOR" "Klebsiella pneumoniae" +"pexidartinib" 5343 "Macrophage colony-stimulating factor 1 receptor" "Kinase" "P07333" "CSF1R" "CSF1R_HUMAN" 7.88 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/26222558" "http://www.ncbi.nlm.nih.gov/pubmed/26222558" "INHIBITOR" "Tclin" "Homo sapiens" +"pexidartinib" 5343 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 7.56 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/26222558" "http://www.ncbi.nlm.nih.gov/pubmed/26222558" "INHIBITOR" "Tclin" "Homo sapiens" +"pexidartinib" 5343 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 6.79 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/26222558" "http://www.ncbi.nlm.nih.gov/pubmed/26222558" "INHIBITOR" "Tclin" "Homo sapiens" +"entrectinib" 5345 "High affinity nerve growth factor receptor" "Kinase" "P04629" "NTRK1" "NTRK1_HUMAN" 9 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212725s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"entrectinib" 5345 "BDNF/NT-3 growth factors receptor" "Kinase" "Q16620" "NTRK2" "NTRK2_HUMAN" 8.52 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212725s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"entrectinib" 5345 "NT-3 growth factor receptor" "Kinase" "Q16288" "NTRK3" "NTRK3_HUMAN" 8.3 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212725s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"entrectinib" 5345 "Proto-oncogene tyrosine-protein kinase ROS" "Kinase" "P08922" "ROS1" "ROS1_HUMAN" 8.15 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212725s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"entrectinib" 5345 "ALK tyrosine kinase receptor" "Kinase" "Q9UM73" "ALK" "ALK_HUMAN" 7.92 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212725s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"entrectinib" 5345 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 7.4 "IC50" "SCIENTIFIC LITERATURE" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212725s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"entrectinib" 5345 "Activated CDC42 kinase 1" "Kinase" "Q07912" "TNK2" "ACK1_HUMAN" 7.15 "IC50" "SCIENTIFIC LITERATURE" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212725s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"upadacitinib" 5346 "Tyrosine-protein kinase JAK1" "Kinase" "P23458" "JAK1" "JAK1_HUMAN" 7.33 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/30886973" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/211675s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"upadacitinib" 5346 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 6.92 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/30886973" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/211675s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"upadacitinib" 5346 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 5.63 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/30886973" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/211675s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"fedratinib" 5347 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 8.52 "IC50" "wild type JAK2" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/18394554" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212327s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"fedratinib" 5347 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 7.82 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/18394554" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212327s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"fedratinib" 5347 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 5.99 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/18394554" "INHIBITOR" "Tclin" "Homo sapiens" +"fedratinib" 5347 "Tyrosine-protein kinase JAK1" "Kinase" "P23458" "JAK1" "JAK1_HUMAN" 6.97 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/18394554" "INHIBITOR" "Tclin" "Homo sapiens" +"fedratinib" 5347 "Non-receptor tyrosine-protein kinase TYK2" "Kinase" "P29597" "TYK2" "TYK2_HUMAN" 6.39 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/18394554" "INHIBITOR" "Tclin" "Homo sapiens" +"lefamulin" 5348 "50S ribosomal protein" "Ribosomal protein" "Mechanism of Action" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/211672s000,211673s000lbl.pdf" "INHIBITOR" +"tenapanor" 5349 "Sodium/hydrogen exchanger 3" "Transporter" "P48764" "SLC9A3" "SL9A3_HUMAN" 9.06 "IC50" "wild type" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/28495802" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/211801s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"trifarotene" 5350 "Retinoic acid receptor gamma" "Nuclear hormone receptor" "P13631" "RARG" "RARG_HUMAN" 8.11 "EC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/29706423" "http://www.ncbi.nlm.nih.gov/pubmed/29706423" "AGONIST" "Tclin" "Homo sapiens" +"trifarotene" 5350 "Retinoic acid receptor alpha" "Nuclear hormone receptor" "P10276" "RARA" "RARA_HUMAN" 6.3 "EC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/29706423" "AGONIST" "Tclin" "Homo sapiens" +"trifarotene" 5350 "Retinoic acid receptor beta" "Nuclear hormone receptor" "P10826" "RARB" "RARB_HUMAN" 6.9 "EC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/29706423" "AGONIST" "Tclin" "Homo sapiens" +"lasmiditan" 5351 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 8.65 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/20855361" "http://www.ncbi.nlm.nih.gov/pubmed/20855361" "AGONIST" "Tclin" "Homo sapiens" +"cefiderocol" 5352 "Penicillin-binding protein 1A" "Enzyme" "P02918" "mrcA" "PBPA_ECOLI" 5.48 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/29061741" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209445s000lbl.pdf" "INHIBITOR" "Escherichia coli (strain K12)" +"cefiderocol" 5352 "Penicillin-binding protein 1A" "Enzyme" "Q07806" "mrcA" "PBPA_PSEAE" 6.07 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/29061741" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209445s000lbl.pdf" "INHIBITOR" "Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)" +"cefiderocol" 5352 "Penicillin-binding protein 1A" "Enzyme" "G1C775" "ponA" "G1C775_ACIBA" 5.98 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/29061741" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209445s000lbl.pdf" "INHIBITOR" "Acinetobacter baumannii" +"cefiderocol" 5352 "Penicillin-binding protein 1B" "Enzyme" "P02919" "mrcB" "PBPB_ECOLI" 5.47 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/29061741" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209445s000lbl.pdf" "INHIBITOR" "Escherichia coli (strain K12)" +"cefiderocol" 5352 "Penicillin-binding protein 1B" "Enzyme" "A6T4V3" "mrcB" "A6T4V3_KLEP7" 5.46 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/29061741" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209445s000lbl.pdf" "INHIBITOR" "Klebsiella pneumoniae subsp. pneumoniae (strain ATCC 700721 / MGH 78578)" +"cefiderocol" 5352 "Peptidoglycan D,D-transpeptidase MrdA" "Enzyme" "H4I819" "mrdA" "H4I819_ECOLX" 5.66 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/29061741" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209445s000lbl.pdf" "INHIBITOR" "Escherichia coli DEC1B" +"cefiderocol" 5352 "Peptidoglycan D,D-transpeptidase MrdA" "Enzyme" "A0A0W8ASI8" "mrdA" "A0A0W8ASI8_KLEPN" 7.2 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/29061741" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209445s000lbl.pdf" "INHIBITOR" "Klebsiella pneumoniae" +"cefiderocol" 5352 "Peptidoglycan synthase FtsI" "Enzyme" "P0AD68" "ftsI" "FTSI_ECOLI" 7.4 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/29061741" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209445s000lbl.pdf" "INHIBITOR" "Escherichia coli (strain K12)" +"cefiderocol" 5352 "Peptidoglycan D,D-transpeptidase FtsI" "Enzyme" "A6T4M7" "ftsI" "A6T4M7_KLEP7" 7.21 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/29061741" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209445s000lbl.pdf" "INHIBITOR" "Klebsiella pneumoniae subsp. pneumoniae (strain ATCC 700721 / MGH 78578)" +"cefiderocol" 5352 "Peptidoglycan D,D-transpeptidase FtsI" "Enzyme" "G3XD46" "ftsI" "FTSI_PSEAE" 7.22 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/29061741" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209445s000lbl.pdf" "INHIBITOR" "Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)" +"cefiderocol" 5352 "Peptidoglycan D,D-transpeptidase FtsI" "Enzyme" "D0CCM7" "ftsI" "D0CCM7_ACIB2" 6.17 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/29061741" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209445s000lbl.pdf" "INHIBITOR" "Acinetobacter baumannii (strain ATCC 19606 / DSM 30007 / CIP 70.34 / JCM 6841 / NBRC 109757 / NCIMB 12457 / NCTC 12156 / 81)" +"cefiderocol" 5352 "Penicillin-binding protein 4" "Enzyme" "A0A5E6DR09" "pbpD_1" "A0A5E6DR09_KLEPN" 5.44 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/29061741" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209445s000lbl.pdf" "INHIBITOR" "Klebsiella pneumoniae" +"zanubrutinib" 5353 "Tyrosine-protein kinase BTK" "Kinase" "Q06187" "BTK" "BTK_HUMAN" 9.52 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/31381333" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/213217s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"givosiran" 5354 "aminolevulinate synthase1 (ALAS1) mRNA" "RNA" "P13196" "ALAS1" "HEM1_HUMAN" "Mechanism of Action" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/0212194s000lbl.pdf" "ANTISENSE INHIBITOR" "Tclin" "Homo sapiens" +"voxelotor" 5356 "hemoglobin subunit alpha" "Transporter" "P69905" "HBA1" "HBA_HUMAN" 5.09 "EC50" "Hemoglobin S differs from hemoglobin A only by a single amino acid substitution: a valine replaces a glutamine in the 6th position of the beta chain of globin; forms a reversible covalent bond with the N‐terminal valine of the α chain of HbS." "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/27378309" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/213137s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"golodirsen" 5357 "exon 53 of dystrophin pre-mRNA" "RNA" "P11532" "DMD" "DMD_HUMAN" "Mechanism of Action" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/211970s000lbl.pdf" "ANTISENSE INHIBITOR" "Tclin" "Homo sapiens" +"lumateperone" 5358 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.26 "Ki" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209500s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209500s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"lumateperone" 5358 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.49 "Ki" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209500s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209500s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"lumateperone" 5358 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.48 "Ki" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209500s000lbl.pdf" "Tclin" "Homo sapiens" +"lumateperone" 5358 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.38 "Ki" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209500s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"lemborexant" 5360 "Orexin receptor type 1" "GPCR" "O43613" "HCRTR1" "OX1R_HUMAN" 8.22 "Ki" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212028s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212028s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"lemborexant" 5360 "Orexin receptor type 2" "GPCR" "O43614" "HCRTR2" "OX2R_HUMAN" 8.52 "Ki" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212028s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212028s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"ubrogepant" 5361 "Calcitonin gene-related peptide type 1 receptor" "GPCR" "Q16602" "CALCRL" "CALRL_HUMAN" 10.2 "Ki" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=10176" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/211765s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"romosozumab" 5362 "Sclerostin" "Glycoprotein" "Q9BQB4" "SOST" "SOST_HUMAN" 11.7 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=8092" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/761062s000lbl.pdf" "BINDING AGENT" "Tclin" "Homo sapiens" +"brolucizumab" 5363 "Vascular endothelial growth factor A" "Secreted" "P15692" "VEGFA" "VEGFA_HUMAN" 8.8 "Kd" "binds to the three major isoforms of VEGF-A" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=8713" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/761125s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"luspatercept" 5364 "Growth/differentiation factor 11" "Cytokine" "O95390" "GDF11" "GDF11_HUMAN" 10.13 "Kd" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/24658078" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/761136lbl.pdf" "BINDING AGENT" "Tclin" "Homo sapiens" +"luspatercept" 5364 "Growth/differentiation factor 8" "Cytokine" "O14793" "MSTN" "GDF8_HUMAN" 9.69 "Kd" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/24658078" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/761136lbl.pdf" "BINDING AGENT" "Tclin" "Homo sapiens" +"crizanlizumab" 5365 "P-selectin" "Adhesion" "P16109" "SELP" "LYAM3_HUMAN" 5.59 "IC50" "ex-vivo determination published in FDA's Multi-Discipline Review of BLA 761128" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/761128s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/761128s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"enfortumab vedotin" 5366 "Nectin-4" "Tumour-associated antigen" "Q96NY8" "NECTIN4" "NECT4_HUMAN" 10.24 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/27013195" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/761137s000lbl.pdf" "BINDING AGENT" "Tclin" "Homo sapiens" +"enfortumab vedotin" 5366 "Tubulin beta" "Tumour-associated antigen" "P04350|P07437|P68371|Q13509|Q13885|Q3ZCM7|Q9BUF5|Q9BVA1|Q9H4B7" "TUBB|TUBB1|TUBB2A|TUBB2B|TUBB3|TUBB4A|TUBB4B|TUBB6|TUBB8" "TBB1_HUMAN|TBB2A_HUMAN|TBB2B_HUMAN|TBB3_HUMAN|TBB4A_HUMAN|TBB4B_HUMAN|TBB5_HUMAN|TBB6_HUMAN|TBB8_HUMAN" "Mechanism of Action" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/761137s000lbl.pdf" "BINDING AGENT" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" +"trastuzumab deruxtecan" 5367 "DNA topoisomerase 1" "Enzyme" "P11387" "TOP1" "TOP1_HUMAN" 7.51 "IC50" "cell-free DNA topoisomerase I inhibitory activity of DXd component" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/27026201" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/761139s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"trastuzumab deruxtecan" 5367 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 8.13 "Kd" "HER2-specific cell growth inhibition" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/27026201" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/761139s000lbl.pdf" "BINDING AGENT" "Tclin" "Homo sapiens" +"botulinum toxin type A" 5368 "Synaptosomal-associated protein 25" "Cytosolic other" "P60880" "SNAP25" "SNP25_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/8103915" "BLOCKER" "Tclin" "Homo sapiens" +"roxadustat" 5371 "Egl nine homolog 2" "Enzyme" "Q96KS0" "EGLN2" "EGLN2_HUMAN" 5.24 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/29856623" "http://www.ncbi.nlm.nih.gov/pubmed/30805897" "INHIBITOR" "Tclin" "Homo sapiens" +"roxadustat" 5371 "Egl nine homolog 1" "Enzyme" "Q9GZT9" "EGLN1" "EGLN1_HUMAN" 4.54 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/29856623" "http://www.ncbi.nlm.nih.gov/pubmed/30805897" "INHIBITOR" "Tclin" "Homo sapiens" +"roxadustat" 5371 "Egl nine homolog 3" "Enzyme" "Q9H6Z9" "EGLN3" "EGLN3_HUMAN" 5.18 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/29856623" "http://www.ncbi.nlm.nih.gov/pubmed/30805897" "INHIBITOR" "Tclin" "Homo sapiens" +"elexacaftor" 5372 "Cystic fibrosis transmembrane conductance regulator" "Ion channel" "P13569" "CFTR" "CFTR_HUMAN" "Mechanism of Action" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212273s000lbl.pdf" "Tclin" "Homo sapiens" +"cepharanthine" 5375 "Nuclear factor NF-kappa-B p105 subunit" "Cytosolic other" "P19838" "NFKB1" "NFKB1_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/31132753" "INHIBITOR" "Tclin" "Homo sapiens" +"cepharanthine" 5375 "5'-AMP-activated protein kinase catalytic subunit alpha-1" "Kinase" "Q13131" "PRKAA1" "AAPK1_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "http://www.ncbi.nlm.nih.gov/pubmed/31132753" "INHIBITOR" "Tclin" "Homo sapiens" +"cepharanthine" 5375 "SARS-CoV-2" "Virus" 6 "EC50" "Vero E6 cells" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/32149769" "INHIBITOR" +"remdesivir" 5376 "SARS-CoV-2" "Virus" 6.11 "EC50" "Activity determined against Vero E6 cells" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/32020029" "INHIBITOR" +"remdesivir" 5376 "Ebola virus (EBOV)" "Virus" 7.06 "EC50" "human microvascular endothelial cells (HMVEC-TERT)" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/26934220" "INHIBITOR" +"EIDD-1931" 5377 "SARS-CoV-2" "Virus" 6.52 "IC50" "Activity determined against Vero E6 cells" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/32253226" "INHIBITOR" +"mefuparib" 5378 "SARS-CoV-2" "Virus" 5.29 "EC50" "Activity determined against Vero E6 cells" "SCIENTIFIC LITERATURE" "=" "http://dx.doi.org/10.1101/2020.03.11.986836" "INHIBITOR" +"mefuparib" 5378 "Poly [ADP-ribose] polymerase 1" "Enzyme" "P09874" "PARP1" "PARP1_HUMAN" 8.49 "IC50" "biotinylated [NAD+]-based luminescence assays" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/27926532" "INHIBITOR" "Tclin" "Homo sapiens" +"mefuparib" 5378 "Poly [ADP-ribose] polymerase 2" "Enzyme" "Q9UGN5" "PARP2" "PARP2_HUMAN" 8.72 "IC50" "biotinylated [NAD+]-based luminescence assays" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/27926532" "INHIBITOR" "Tclin" "Homo sapiens" +"avapritinib" 5379 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 9.62 "IC50" "PDGFRA D842V (exon 18) mutant" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/29093181" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/212608s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"avapritinib" 5379 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 9.57 "IC50" "KIT D816V (exon 17)" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/29093181" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/212608s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"avapritinib" 5379 "Mast/stem cell growth factor receptor Kit" "Kinase" "P05532" "Kit" "KIT_MOUSE" 7.66 "IC50" "Inhibition of KIT D816Y mutant autophosphorylation in P815 cell line" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/29093181" "INHIBITOR" "Tclin" "Mus musculus" +"tazemetostat" 5380 "Histone-lysine N-methyltransferase EZH2" "Enzyme" "Q15910" "EZH2" "EZH2_HUMAN" 7.96 "IC50" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/211723s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/211723s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"tazemetostat" 5380 "Histone-lysine N-methyltransferase EZH1" "Enzyme" "Q92800" "EZH1" "EZH1_HUMAN" 6.41 "IC50" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/211723s000lbl.pdf" "INHIBITOR" "Tchem" "Homo sapiens" +"rimegepant" 5381 "Calcitonin gene-related peptide type 1 receptor" "GPCR" "Q16602" "CALCRL" "CALRL_HUMAN" 10.56 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/23153230" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/212728s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"bempedoic acid" 5382 "ATP-citrate synthase" "Enzyme" "P53396" "ACLY" "ACLY_HUMAN" 5.69 "Ki" "Inhibition of ACL by ETC-1002-CoA" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/27892461" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/211616s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"ozanimod" 5383 "Sphingosine 1-phosphate receptor 1" "GPCR" "P21453" "S1PR1" "S1PR1_HUMAN" 9.39 "EC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/26990079" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/209899s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"ozanimod" 5383 "Sphingosine 1-phosphate receptor 5" "GPCR" "Q9H228" "S1PR5" "S1PR5_HUMAN" 7.96 "EC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/26990079" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/209899s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" +"osilodrostat" 5384 "Cytochrome P450 11B1, mitochondrial" "Enzyme" "P15538" "CYP11B1" "C11B1_HUMAN" 8.6 "IC50" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/212801s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/212801s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"osilodrostat" 5384 "Cytochrome P450 11B2, mitochondrial" "Enzyme" "P19099" "CYP11B2" "C11B2_HUMAN" 9.15 "IC50" "SCIENTIFIC LITERATURE" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/212801s000lbl.pdf" "INHIBITOR" "Tchem" "Homo sapiens" +"isatuximab" 5385 "Lymphocyte differentiation antigen CD38" "Tumour-associated antigen" "P28907" "CD38" "CD38_HUMAN" 9.7 "Kd" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/24987056" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/761113s000lbl.pdf" "BINDING AGENT" "Tclin" "Homo sapiens" +"eptinezumab" 5386 "Calcitonin gene-related peptide 1" "GPCR" "P06881" "CALCA" "CALCA_HUMAN" 10.82 "Kd" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/761119Orig1s000OtherR.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/761119s000lbl.pdf" "BINDING AGENT" "Tclin" "Homo sapiens" +"eptinezumab" 5386 "Calcitonin gene-related peptide 2" "GPCR" "P10092" "CALCB" "CALCB_HUMAN" 10.24 "Kd" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/761119Orig1s000OtherR.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/761119s000lbl.pdf" "BINDING AGENT" "Tclin" "Homo sapiens" +"teprotumumab" 5387 "Insulin-like growth factor 1 receptor" "Kinase" "P08069" "IGF1R" "IGF1R_HUMAN" 9 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/20847162" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/761143s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" +"selumetinib" 5388 "Dual specificity mitogen-activated protein kinase kinase 1" "Kinase" "Q02750" "MAP2K1" "MP2K1_HUMAN" 7.85 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/17332304" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/213756s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"selumetinib" 5388 "Dual specificity mitogen-activated protein kinase kinase 2" "Kinase" "P36507" "MAP2K2" "MP2K2_HUMAN" 7.85 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/17332304" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/213756s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"tucatinib" 5389 "ERBB2/ERBB3" "Kinase" "P04626|P21860" "ERBB2|ERBB3" "ERBB2_HUMAN|ERBB3_HUMAN" 8.16 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/32241871" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/213411s000lbl.pdf" "INHIBITOR" "Tclin|Tclin" "Homo sapiens" +"tucatinib" 5389 "Receptor tyrosine-protein kinase erbB-4" "Kinase" "Q15303" "ERBB4" "ERBB4_HUMAN" 6.5 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/32241871" "INHIBITOR" "Tclin" "Homo sapiens" +"pemigatinib" 5390 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 9.4 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/32315352" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/213736s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"pemigatinib" 5390 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" 9.3 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/32315352" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/213736s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"pemigatinib" 5390 "Fibroblast growth factor receptor 3" "Kinase" "P22607" "FGFR3" "FGFR3_HUMAN" 9 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://www.ncbi.nlm.nih.gov/pubmed/32315352" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/213736s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" +"pemigatinib" 5390 "Fibroblast growth factor receptor 4" "Kinase" "P22455" "FGFR4" "FGFR4_HUMAN" 7.52 "IC50" "SCIENTIFIC LITERATURE" "=" "http://www.ncbi.nlm.nih.gov/pubmed/32315352" "INHIBITOR" "Tclin" "Homo sapiens" diff --git a/archived-datasets/drugcentral/mapping/csv-drug-interactions.yarrr.yml b/archived-datasets/drugcentral/mapping/csv-drug-interactions.yarrr.yml new file mode 100644 index 0000000..11ea52d --- /dev/null +++ b/archived-datasets/drugcentral/mapping/csv-drug-interactions.yarrr.yml @@ -0,0 +1,42 @@ +### Using Split function with YARRRML: https://rml.io/yarrrml/matey/ +prefixes: + grel: "http://users.ugent.be/~bjdmeest/function/grel.ttl#" + rdfs: "http://www.w3.org/2000/01/rdf-schema#" + gn: "http://www.geonames.org/ontology#" + +mappings: + neighbours: + sources: + - ['/mnt/workspace/input/geonames/dataset-geonames-countryInfo.csv~csv'] + s: http://www.geonames.org/ontology#$(ISO) + po: + - [a, gn:Country] + - p: gn:neighbours + o: + function: grel:string_split + parameters: + - [grel:p_string_sep, "\|"] + - [grel:valueParameter, $(neighbours)] + language: en + +### Using to lower case (working) + +# prefixes: +# grel: "http://users.ugent.be/~bjdmeest/function/grel.ttl#" +# rdfs: "http://www.w3.org/2000/01/rdf-schema#" +# gn: "http://www.geonames.org/ontology#" + +# mappings: +# lowerneighbours: +# sources: +# - ['source_1.csv~csv'] +# s: http://www.geonames.org/ontology#$(ISO) +# po: +# - [a, gn:Country] +# - [rdfs:label, $(neighbours)] +# - p: gn:neighbours +# o: +# function: grel:toLowerCase +# parameters: +# - [grel:valueParameter, $(neighbours)] +# language: en \ No newline at end of file diff --git a/archived-datasets/drugcentral/mapping/csv_mapping.rml.ttl b/archived-datasets/drugcentral/mapping/csv_mapping.rml.ttl new file mode 100644 index 0000000..de6e668 --- /dev/null +++ b/archived-datasets/drugcentral/mapping/csv_mapping.rml.ttl @@ -0,0 +1,428 @@ +@prefix rr: . +@prefix foaf: . +@prefix xsd: . +@prefix rml: . +@prefix ql: . +@prefix bl: . +@prefix cohd: . +@base . + +# dataset_id concept_id_1 concept_id_2 concept_count concept_prevalence chi_square_t chi_square_p expected_count ln_ratio rel_freq_1 rel_freq_2 +# 3 2003351 4043182 39 2.251917e-05 7.670977e+02 7.687639e-169 1.915134e+00 3.013774e+00 1.300000e+00 3.527560e-04 +# 3 2003351 4078442 39 2.251917e-05 1.292931e+03 3.884704e-283 1.152185e+00 3.521902e+00 1.300000e+00 5.863427e-04 +# 3 2003351 4111798 39 2.251917e-05 1.797332e+03 0.000000e+00 8.336423e-01 3.845513e+00 1.300000e+00 8.103896e-04 + +<#MapAssociation> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/drugcentral/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/association/{dataset_id}_{concept_id_1}_{concept_id_2}"; + rr:class bl:Association ]; + rr:predicateObjectMap [ + rr:predicate bl:subject; + rr:objectMap [ rr:template "http://api.ohdsi.org/WebAPI/vocabulary/concept/{concept_id_1}" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:relation; + rr:objectMap bl:related_to + ]; + rr:predicateObjectMap [ + rr:predicate bl:id; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/association/{dataset_id}_{concept_id_1}_{concept_id_2}" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:subject; + rr:objectMap [ rr:template "http://api.ohdsi.org/WebAPI/vocabulary/concept/{concept_id_1}" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:object; + rr:objectMap [ rr:template "http://api.ohdsi.org/WebAPI/vocabulary/concept/{concept_id_2}" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:provided_by; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/provider/dataset/{dataset_id}" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_evidence; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}" ] + ] . + +<#MapEvidenceType> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/drugcentral/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}"; + rr:class bl:EvidenceType + ]; + rr:predicateObjectMap [ + rr:predicate bl:name ; + rr:objectMap [ rr:template "Count of co-occurences of the 2 concepts {dataset_id} and {concept_id_1} in COHD dataset {concept_id_2}" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:id; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_count; + rr:objectMap [ rml:reference "concept_count"; rr:datatype xsd:double ] + ]; + # rr:predicateObjectMap [ + # rr:predicate bl:has_total; + # rr:objectMap [ rml:reference "patient_count_in_dataset"; rr:datatype xsd:double ] + # ]; + rr:predicateObjectMap [ + rr:predicate bl:has_quotient; + rr:objectMap [ rml:reference "concept_prevalence"; rr:datatype xsd:double ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_attribute; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/ln_ratio" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_attribute; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/expected_count" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_attribute; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/subject_relative_frequency" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_attribute; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/object_relative_frequency" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_attribute; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/ttest" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_attribute; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/pvalue" ] + ]; + + rr:predicateObjectMap [ + rr:predicate bl:provided_by; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/provider/dataset/{dataset_id}" ] + ] . + +<#MapConceptCountAttribute> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/drugcentral/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/concept_count"; + rr:class bl:Attribute + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_attribute_type; + rr:object + # Use Count? http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C25463 + ]; + rr:predicateObjectMap [ + rr:predicate bl:id; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/concept_count" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:name ; + rr:objectMap [ rr:template "Count of co-occurences of concepts {concept_id_1} and {concept_id_2} in COHD dataset concept {dataset_id}" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_quantitative_value; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/concept_count/value" ] + ] . +<#MapConceptCountAttributeValue> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/drugcentral/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/concept_count/value"; + rr:class bl:QuantityValue + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_numeric_value; + rr:objectMap [ rml:reference "concept_count" ] + ] . + +<#MapConceptPrevalenceAttribute> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/drugcentral/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/concept_prevalence"; + rr:class bl:Attribute + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_attribute_type; + rr:object + # Use Prevalence? http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C17010 + ]; + rr:predicateObjectMap [ + rr:predicate bl:id; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/concept_prevalence" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:name ; + rr:objectMap [ rr:template "Prevalence of co-occurences of concepts {concept_id_1} and {concept_id_2} in COHD dataset concept {dataset_id}" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_quantitative_value; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/concept_prevalence/value" ] + ] . +<#MapConceptPrevalenceAttributeValue> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/drugcentral/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/concept_prevalence/value"; + rr:class bl:QuantityValue + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_numeric_value; + rr:objectMap [ rml:reference "concept_prevalence" ] + ] . + +<#MapTtestResultsAttribute> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/drugcentral/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/ttest"; + rr:class bl:Attribute + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_attribute_type; + rr:object + # Use T-test? http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C53231 + ]; + rr:predicateObjectMap [ + rr:predicate bl:id; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/ttest" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:name ; + rr:objectMap [ rr:template "t-Tests results of concepts {concept_id_1} and {concept_id_2} in COHD dataset concept {dataset_id}" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_quantitative_value; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/ttest/value" ] + ] . +<#MapTtestResultsAttributeValue> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/drugcentral/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/ttest/value"; + rr:class bl:QuantityValue + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_numeric_value; + rr:objectMap [ rml:reference "chi_square_t" ] + ] . + + +<#MapTtestPvalueAttribute> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/drugcentral/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/pvalue"; + rr:class bl:Attribute + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_attribute_type; + rr:object + # Use p-value? http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C53231 + ]; + rr:predicateObjectMap [ + rr:predicate bl:id; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/pvalue" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:name ; + rr:objectMap [ rr:template "t-Tests p-value of concepts {concept_id_1} and {concept_id_2} in COHD dataset concept {dataset_id}" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_quantitative_value; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/pvalue/value" ] + ] . +<#MapTtestPvalueAttributeValue> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/drugcentral/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/pvalue/value"; + rr:class bl:QuantityValue + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_numeric_value; + rr:objectMap [ rml:reference "chi_square_p" ] + ]. + +<#MapRelFreq1Attribute> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/drugcentral/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/subject_relative_frequency"; + rr:class bl:Attribute + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_attribute_type; + rr:object + # Use How often / Frequency? http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C118873 + ]; + rr:predicateObjectMap [ + rr:predicate bl:id; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/subject_relative_frequency" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:name ; + rr:objectMap [ rr:template "Frequency of concept {concept_id_1} relative to concept {concept_id_2} (count of patients with the 2 concepts divided by count of patients with only one)" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_quantitative_value; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/subject_relative_frequency/value" ] + ] . +<#MapRelFreq1AttributeValue> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/drugcentral/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/subject_relative_frequency/value"; + rr:class bl:QuantityValue + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_numeric_value; + rr:objectMap [ rml:reference "rel_freq_1" ] + ] . + +<#MapRelFreq2Attribute> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/drugcentral/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/object_relative_frequency"; + rr:class bl:Attribute + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_attribute_type; + rr:object + # Use How often / Frequency? http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C118873 + ]; + rr:predicateObjectMap [ + rr:predicate bl:id; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/object_relative_frequency" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:name ; + rr:objectMap [ rr:template "Frequency of concept {concept_id_2} relative to concept {concept_id_1} (count of patients with the 2 concepts divided by count of patients with only one)" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_quantitative_value; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/object_relative_frequency/value" ] + ] . +<#MapRelFreq2AttributeValue> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/drugcentral/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/object_relative_frequency/value"; + rr:class bl:QuantityValue + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_numeric_value; + rr:objectMap [ rml:reference "rel_freq_2" ] + ]. + +<#MapExpectedCountAttribute> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/drugcentral/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/expected_count"; + rr:class bl:Attribute + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_attribute_type; + rr:object + # Use Expected Value? http://semanticscience.org/resource/SIO_001021 + ]; + rr:predicateObjectMap [ + rr:predicate bl:id; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/expected_count" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:name ; + rr:objectMap [ rr:template "Expected count given the 2 concepts {concept_id_1} and {concept_id_2} are not associated in COHD dataset {dataset_id}" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_quantitative_value; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/expected_count/value" ] + ] . +<#MapExpectedCountAttributeValue> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/drugcentral/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/expected_count/value"; + rr:class bl:QuantityValue + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_numeric_value; + rr:objectMap [ rml:reference "expected_count" ] + ] . + +<#MapLnRatioAttribute> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/drugcentral/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/ln_ratio"; + rr:class bl:Attribute + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_attribute_type; + rr:object + ]; + rr:predicateObjectMap [ + rr:predicate bl:id; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/ln_ratio" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:name ; + rr:objectMap [ rr:template "Log of observed patients with the concept on the expected count for concepts {concept_id_1} and {concept_id_2} in COHD dataset {dataset_id}" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_quantitative_value; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/ln_ratio/value" ] + ] . +<#MapLnRatioAttributeValue> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/drugcentral/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/ln_ratio/value"; + rr:class bl:QuantityValue + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_numeric_value; + rr:objectMap [ rml:reference "ln_ratio" ] + ]. \ No newline at end of file diff --git a/archived-datasets/drugcentral/mapping/sql-mapping.yarrr.yml b/archived-datasets/drugcentral/mapping/sql-mapping.yarrr.yml new file mode 100644 index 0000000..147bfc1 --- /dev/null +++ b/archived-datasets/drugcentral/mapping/sql-mapping.yarrr.yml @@ -0,0 +1,51 @@ +### Using Split function with YARRRML: https://rml.io/yarrrml/matey/ +prefixes: + grel: "http://users.ugent.be/~bjdmeest/function/grel.ttl#" + rdfs: "http://www.w3.org/2000/01/rdf-schema#" + gn: "http://www.geonames.org/ontology#" + d2rq: "http://www.wiwiss.fu-berlin.de/suhl/bizer/D2RQ/0.1#" + +mappings: + neighbours: + sources: + access: http://localhost:5432/db + type: mysql + credentials: + username: postgres + password: postgres + queryFormulation: sql2008 + query: | + SELECT * FROM omop_relationship; + referenceFormulation: csv + s: http://www.geonames.org/ontology#$(ISO) + po: + - [a, gn:Country] + - p: gn:neighbours + o: + function: grel:string_split + parameters: + - [grel:p_string_sep, "\|"] + - [grel:valueParameter, $(neighbours)] + language: en + +### Using to lower case (working) + +# prefixes: +# grel: "http://users.ugent.be/~bjdmeest/function/grel.ttl#" +# rdfs: "http://www.w3.org/2000/01/rdf-schema#" +# gn: "http://www.geonames.org/ontology#" + +# mappings: +# lowerneighbours: +# sources: +# - ['source_1.csv~csv'] +# s: http://www.geonames.org/ontology#$(ISO) +# po: +# - [a, gn:Country] +# - [rdfs:label, $(neighbours)] +# - p: gn:neighbours +# o: +# function: grel:toLowerCase +# parameters: +# - [grel:valueParameter, $(neighbours)] +# language: en \ No newline at end of file diff --git a/archived-datasets/drugcentral/mapping/sql_mapping.r2rml.ttl b/archived-datasets/drugcentral/mapping/sql_mapping.r2rml.ttl new file mode 100644 index 0000000..26af979 --- /dev/null +++ b/archived-datasets/drugcentral/mapping/sql_mapping.r2rml.ttl @@ -0,0 +1,14 @@ +@prefix rr: . +@prefix ex: . + +<#TriplesMapOmopRelationships> + rr:logicalTable [ rr:sqlQuery """ + SELECT * FROM omop_relationship; + """ ]; + rr:subjectMap [ + rr:template "http://data.example.com/employee/{EMPNO}"; + ]; + rr:predicateObjectMap [ + rr:predicate ex:role; + rr:objectMap [ rr:template "http://data.example.com/roles/{ROLE}" ]; + ]. \ No newline at end of file diff --git a/archived-datasets/drugcentral/metadata/metadata-dataset-0-summary.rq b/archived-datasets/drugcentral/metadata/metadata-dataset-0-summary.rq new file mode 100644 index 0000000..c74d10b --- /dev/null +++ b/archived-datasets/drugcentral/metadata/metadata-dataset-0-summary.rq @@ -0,0 +1,76 @@ +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: + +INSERT { + GRAPH { + + # Agent publishing the dataset + ?publisherUri a dct:Agent ; + foaf:name ?publisherName ; + foaf:page . + + # Summary + + rdf:type dctypes:Dataset; + dct:title "DrugCentral" ; + idot:preferredPrefix "drugcentral" ; + dct:description "DrugCentral provides information on active ingredients chemical entities, pharmaceutical products, drug mode of action, indications, pharmacologic action. We monitor FDA, EMA, and PMDA for new drug approval on regular basis to ensure currency of the resource. Limited information on discontinued and drugs approved outside US is also available however regulatory approval information can't be verified. Database developed and maintained by Oleg Ursu and Tudor Oprea."@en; + dct:publisher ?publisherUri ; + + dct:license ; + # Human readable licenses terms + # dct:rights """Rights."""@en ; + + # The homepage of the dataset + foaf:page ; + # schemaorg:logo ; + + dcat:accessURL ; + # Specify the directory containing the file(s) of interest (not the direct file URL) + + dct:references ; + dcat:keyword "drug" ; + dcat:theme ; + # ncit:C48807 Chemical, ncit:C54708 drug interaction + + # dct:accrualPeriodicity freq:annual ; + # frequency of update: annual baseline is released in December of each year + + void:sparqlEndpoint "https://graphdb.dumontierlab.com/repositories/trek" . + + ## MAY + # dct:references ; # Supporting material as web pages and documents (use cito for publications) + # cito:citesAsAuthority ; # publications about the dataset + # rdfs:seeAlso ; + + # dct:hasPart ; # if the dataset has multiple different parts (e.g. one for Drugs, one for Phenotypes) + # dct:alternative "Alternative label for dataset" ; + # idot:alternatePrefix "alternative_prefix"; + + + ## Needs to be updated at new submission + #pav:hasCurrentVersion ; + } +} WHERE { + BIND(NOW() AS ?now) + BIND ( "Division of Translational Informatics at University of New Mexico" as ?publisherName) + BIND ( iri(concat("https://w3id.org/d2s/agent/", md5(?publisherName))) AS ?publisherUri ) +} diff --git a/archived-datasets/drugcentral/metadata/metadata-dataset-1.rq b/archived-datasets/drugcentral/metadata/metadata-dataset-1.rq new file mode 100644 index 0000000..64e384b --- /dev/null +++ b/archived-datasets/drugcentral/metadata/metadata-dataset-1.rq @@ -0,0 +1,163 @@ +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: + +INSERT { + GRAPH { + + # Agent publishing the RDF distribution + ?rdfPublisherUri a dct:Agent ; + foaf:name ?rdfPublisherName ; + foaf:page . + + # Version + ?versionUri + a dctypes:Dataset ; + dct:isVersionOf ?summaryUri ; + pav:version ?pavVersion ; + + dcat:distribution ; + # dcat:accessURL ; + + ## MAY + # dct:references ; # Supporting material as web pages and documents (use cito for publications) + # cito:citesAsAuthority ; # publications about the dataset + # rdfs:seeAlso ; + + dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:license ?sourceLicense ; + dct:publisher ?sourcePublisher ; + idot:preferredPrefix ?idotPreferredPrefix ; + dct:language ?dctLanguage ; + + # TODO: should we put the date of the source release? + dct:issued ?now . + + # TODO: should we have a different license than the summary? + # dct:license ; + + # Same for creator and publisher, should it be HPO for the version? + # dct:creator ; + # dct:publisher ; + + ### RDF Distribution description + + a dcat:Distribution, void:Dataset ; + # TODO: should we use the same pav:version as the source for RDF distribution? + pav:version ?pavVersion ; + # TODO: and should we use the version in RDF distribution URI? After / or # ? + # # more convenient to do strafter() and extract version number + + # TODO: What should be data2services BioLink RDF license? + dct:license ; + + # void:exampleResource ; + + # TODO: should we point createdWith to the SPARQL mappings? Or d2s-cli URL? + pav:createdWith ; + + # Which publisher for RDF BioLink Dataset? IDS by default + dct:publisher ?rdfPublisherUri ; + dct:creator ?rdfPublisherUri ; + + dct:source ?distributionSourceUri ; + dct:language ?dctLanguage ; + void:vocabulary ; + + # TODO: Use dcat:accessURL to specify a directory containing the file(s) of interest. + dcat:accessURL ; + dcat:downloadURL ; + void:dataDump ; + dcat:mediaType "application/n-quads" ; + + dct:title ?rdfDctTitle ; + dct:description ?rdfDctDistribution ; + dct:conformsTo ?hclsDataset ; + idot:preferredPrefix ?idotPreferredPrefix ; + dct:created ?now . + + # MAY + # pav:previousVersion ; + # idot:accessIdentifierPattern "^http://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL\\d+" ; + # idot:identifierPattern "CHEMBL\\d+"^^xsd:string ; + # void:uriRegexPattern "http://rdf.ebi.ac.uk/resource/chembl/target/CHEMBL\\d+" ; + # idot:accessPattern "http://identifiers.org/chembl.compound/"; + # idot:exampleIdentifier "CHEMBL_TC_4803"^^xsd:string ; + + ### Source distribution (non-RDF) description + ?distributionSourceUri + a dcat:Distribution ; + dct:format "text/tab-separated-values" ; + dcat:downloadURL ; + + # idot:exampleIdentifier "DB00001"^^xsd:string ; + + # TODO: should we put issues? + + # TODO: Same publisher as source? + dct:publisher ?sourcePublisher ; + dct:creator ?sourcePublisher ; + pav:version ?pavVersion ; + + dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:rights ?dctRights ; + dct:license ?sourceLicense ; + idot:preferredPrefix ?idotPreferredPrefix ; + pav:retrievedOn ?now ; + dct:language ?dctLanguage ; + dct:conformsTo ?hclsDataset . + + # MAY + # pav:previousVersion ; + # idot:accessPattern "http://identifiers.org/drugbank:" ; + } +} WHERE { + # Version of the source dataset + BIND("1"^^xsd:string AS ?pavVersion) + + BIND( AS ?summaryUri) + BIND( AS ?dctLanguage) + + # Version of our RDF distribution version + BIND("1"^^xsd:string AS ?rdfPavVersion) + BIND(concat("N-Quads distribution of DrugCentral build #", ?rdfPavVersion) AS ?rdfDctTitle) + BIND(concat("N-Quads distribution of DrugCentral build #", ?rdfPavVersion, " produced by Data2Services on NOW()") AS ?rdfDctDescription) + + BIND(NOW() AS ?now) + # Get generic informations from summary + OPTIONAL { + ?summaryUri dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:license ?sourceLicense ; + dct:publisher ?sourcePublisher ; + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix . + } + + # Generates URIs from pav:version + BIND(iri(concat(str(?summaryUri), "/version#", str(?pavVersion))) AS ?versionUri) + BIND(iri(concat(str(?summaryUri), "/distribution/source#", str(?pavVersion))) AS ?distributionSourceUri) + BIND( AS ?hclsDataset) + + BIND ( "Institute of Data Science at Maastricht University" as ?rdfPublisherName) + BIND ( iri(concat("https://w3id.org/d2s/agent/", md5(?rdfPublisherName))) AS ?rdfPublisherUri ) +} diff --git a/archived-datasets/drugcentral/process-drugcentral.ipynb b/archived-datasets/drugcentral/process-drugcentral.ipynb new file mode 100644 index 0000000..b5fb725 --- /dev/null +++ b/archived-datasets/drugcentral/process-drugcentral.ipynb @@ -0,0 +1,133 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# Process DrugCentral Data\n", + "\n", + "Jupyter Notebook to download and preprocess files to transform to BioLink RDF.\n", + "\n", + "### Download files\n", + "\n", + "The download can be defined:\n", + "* in this Jupyter Notebook using Python\n", + "* as a Bash script in the `download/download.sh` file, and executed using `d2s download drugcentral`\n", + "\n" + ] + }, + { + "cell_type": "code", + "execution_count": 9, + "metadata": {}, + "outputs": [], + "source": [ + "import os\n", + "import glob\n", + "import requests\n", + "import functools\n", + "import shutil\n", + "import pandas as pd \n", + "\n", + "# Use Pandas, load file in memory\n", + "def convert_tsv_to_csv(tsv_file):\n", + " csv_table=pd.read_table(tsv_file,sep='\\t')\n", + " csv_table.to_csv(tsv_file[:-4] + '.csv',index=False)\n", + "\n", + "# Variables and path for the dataset\n", + "dataset_id = 'drugcentral'\n", + "dsri_flink_pod_id = 'flink-jobmanager-###'\n", + "input_folder = '/notebooks/workspace/input/' + dataset_id\n", + "mapping_folder = '/notebooks/datasets/' + dataset_id + '/mapping'\n", + "os.makedirs(input_folder, exist_ok=True)" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "# Use input folder as working folder\n", + "os.chdir(input_folder)\n", + "\n", + "files_to_download = [\n", + " 'https://raw.githubusercontent.com/MaastrichtU-IDS/d2s-scripts-repository/master/resources/cohd-sample/concepts.tsv'\n", + "]\n", + "\n", + "# Download each file and uncompress them if needed\n", + "# Use Bash because faster and more reliable than Python\n", + "for download_url in files_to_download:\n", + " os.system('wget -N ' + download_url)\n", + " os.system('find . -name \"*.tar.gz\" -exec tar -xzvf {} \\;')\n", + " os.system('unzip -o \\*.zip')\n", + "\n", + "# Rename .txt to .tsv\n", + "listing = glob.glob('*.txt')\n", + "for filename in listing:\n", + " os.rename(filename, filename[:-4] + '.tsv')\n", + "\n", + " \n", + "## Convert TSV to CSV to be processed with the RMLStreamer\n", + "# use Pandas (load in memory)\n", + "convert_tsv_to_csv('concepts.tsv')\n", + "# Use Bash \n", + "# cmd_convert_csv = \"\"\"sed -e 's/\"/\\\\\"/g' -e 's/\\t/\",\"/g' -e 's/^/\"/' -e 's/$/\"/' -e 's/\\r//' concepts.tsv > concepts.csv\"\"\"\n", + "# os.system(cmd_convert_csv)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Process and load concepts\n", + "\n", + "We will use CWL workflows to integrate data with SPARQL queries. The structured data is first converted to a generic RDF based on the data structure, then mapped to BioLink using SPARQL. The SPARQL queries are defined in `.rq` files and can be [accessed on GitHub](https://github.com/MaastrichtU-IDS/d2s-project-template/tree/master/datasets/drugcentral/mapping).\n", + "\n", + "Start the required services (here on our server, defined by the `-d trek` arg):\n", + "\n", + "```bash\n", + "d2s start tmp-virtuoso drill -d trek\n", + "```\n", + "\n", + "Run one of the following d2s command in the d2s-project folder:\n", + "\n", + "```bash\n", + "d2s run csv-virtuoso.cwl drugcentral\n", + "d2s run xml-virtuoso.cwl drugcentral\n", + "```\n", + "\n", + "[HCLS metadata](https://www.w3.org/TR/hcls-dataset/) can be computed for the drugcentral graph:\n", + "\n", + "```bash\n", + "d2s run compute-hcls-metadata.cwl drugcentral\n", + "```\n", + "\n", + "## Load the BioLink model\n", + "\n", + "Load the [BioLink model ontology as Turtle](https://github.com/biolink/biolink-model/blob/master/biolink-model.ttl) in the graph `https://w3id.org/biolink/biolink-model` in the triplestore\n" + ] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 3", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.8.2" + } + }, + "nbformat": 4, + "nbformat_minor": 4 +} \ No newline at end of file diff --git a/archived-datasets/facefp13/config.yml b/archived-datasets/facefp13/config.yml new file mode 100644 index 0000000..1faf1cb --- /dev/null +++ b/archived-datasets/facefp13/config.yml @@ -0,0 +1,48 @@ + +## Transform CSV + +dataset_to_process: "facefp13" + +# input_dir: +# class: Directory +# path: /data/d2s-workspace/input/facefp13 + +# R2RML params +input_data_jdbc: "jdbc:drill:drillbit=drill:31010" + +# tmp RDF4J server SPARQL endpoint to load generic RDF +sparql_tmp_triplestore_url: "http://virtuoso:8890/sparql" +sparql_tmp_service_url: "http://localhost:8890/sparql" +sparql_tmp_triplestore_username: dba +sparql_tmp_triplestore_password: dba + +sparql_tmp_graph_uri: "https://w3id.org/d2s/graph/autor2rml" +virtuoso_container_id: "d2s-virtuoso" + +# Final RDF4J server SPARQL endpoint to load the BioLink RDF +sparql_final_triplestore_url: "http://virtuoso:8890/sparql" +sparql_final_triplestore_username: dba +sparql_final_triplestore_password: dba + +sparql_final_graph_uri: https://w3id.org/d2s/graph/biolink/facefp13 + + +# Split params +split_property: https://w3id.org/biolink/vocab/has_participant +split_class: https://w3id.org/biolink/vocab/GeneGrouping +split_delimiter: "," +split_quote: '"' + + +sparql_transform_queries_path: "mapping" +sparql_insert_metadata_path: "metadata" + +cwl_workflow_filename: csv-virtuoso.cwl + +config_dir: + class: Directory + path: . + +cwl_dir: + class: Directory + path: ../../d2s-core/cwl \ No newline at end of file diff --git a/archived-datasets/facefp13/download/download.sh b/archived-datasets/facefp13/download/download.sh new file mode 100755 index 0000000..794d0fc --- /dev/null +++ b/archived-datasets/facefp13/download/download.sh @@ -0,0 +1,72 @@ +#!/bin/bash + + +########## Download files + +## Only download if file as changed +wget -N https://github.com/MaastrichtU-IDS/d2s-download/raw/master/datasets/stitch-sample/9606.protein_chemical.links.detailed.v5.0.tsv.gz + +## FTP DOWNLOAD recursively all files in ftp that have the given extension +wget -N -r -A gz -nH ftp://ftp.ncbi.nlm.nih.gov/pubchem/ + + +## PROPERLY NAME RECURSIVE DIR created during download +wget -N -r -A ttl.gz -R reject_this -nH --cut-dirs=3 -P compound ftp://ftp.ncbi.nlm.nih.gov/pubchem/RDF/compound/general +# -nH to remove `ftp.ncbi.nlm.nih.gov` +# --cut-dirs=3 to remove `pubchem/RDF/compound` +# -P to store in the compound dir + + +## HTML EXTRACT URL to an array +# Download simple HTML page and name it as index.html +wget -O index.html http://data.wikipathways.org/current/rdf/ +# Extract URLs from the HTML document to an array. Feel free to change the regex +array=( $(cat index.html | sed -r -n 's/.*((http|ftp)[^"]*?(\.zip|\.gz|\.csv|\.tsv|\.tar)).*/\1/p') ) +for var in "${array[@]}" +do + # Download each URL + wget -N ${var} +done + + +## Manipulate array +# Remove file finishing by test.ttl from the array +array=( ${array[@]//*test.ttl/} ) +# Display array +( IFS=$'\n'; echo "${array[*]}" ) + + + +########## UNCOMPRESS + +# ZIP +# Recursive in subdir +find . -name "*.zip" | while read filename; do unzip -o -d "`dirname "$filename"`/${filename%.*}" "$filename"; done; +# All in same dir +unzip -o \*.zip + + +#GZIP recusive in subdir +find . -name "*.gz" -exec gzip -d {} + > + + +# UNTAR recursively all files in actual dir +find . -name "*.tar.gz" -exec tar -xzvf {} \; +find . -name "*.tgz" -exec tar -xzvf {} \; + + +# Bz2 +find . -name "*.bz2" | while read filename; do bzip2 -f -d "$filename"; done; + + +## RENAME EXTENSION (e.g.: txt in tsv) +rename s/\.txt/.tsv/ *.txt + +## REMOVE 4 FIRST LINES +sed -i -e '1,4d' my_file.txt + +## ADD COLUMNS NAME +# CSV +sed -i '1s/^/column1,column2,column3\n/' *.csv +# TSV +sed -i '1s/^/column1\tcolumn2\tcolumn3\n/' *.tsv \ No newline at end of file diff --git a/archived-datasets/facefp13/mapping/test.rq b/archived-datasets/facefp13/mapping/test.rq new file mode 100644 index 0000000..bcca693 --- /dev/null +++ b/archived-datasets/facefp13/mapping/test.rq @@ -0,0 +1,47 @@ +PREFIX rr: +PREFIX dc: +PREFIX dbo: +PREFIX rdfs: +PREFIX owl: +PREFIX xsd: +PREFIX rml: +PREFIX ql: +PREFIX d2rq: +PREFIX drugbank_vocabulary: +PREFIX hgnc_vocabulary: +PREFIX clinicaltrials_vocabulary: +PREFIX go_vocabulary: +PREFIX goa_vocabulary: +PREFIX bio2rdf_vocabulary: +PREFIX fb_vocabulary: +PREFIX d2s: + +INSERT +{ + GRAPH { + + ?Subject_uri ?Predicate_uri ?Object_uri . + ?Subject_uri a fb_vocabulary:Resource . + + } +} +WHERE { + GRAPH { + ?row d2s:Subject ?Subject ; + a . + + # Generate URI from ID + + ?row d2s:Predicate ?Predicate . + ?row d2s:Object ?Object . + ?row d2s:Truth_score ?Truth_score . + + BIND ( iri(concat("https://bio2rdf.org/fb:", ?Subject)) AS ?Subject_uri ) + BIND ( iri(concat("https://bio2rdf.org/fb_vocabulary:", ?Predicate)) AS ?Predicate_uri ) + BIND ( iri(concat("https://bio2rdf.org/fb:", ?Object)) AS ?Object_uri ) + + FILTER (?Truth_score = "1\r") + + } +} + diff --git a/archived-datasets/facefp13/mapping/train.rq b/archived-datasets/facefp13/mapping/train.rq new file mode 100644 index 0000000..21ee461 --- /dev/null +++ b/archived-datasets/facefp13/mapping/train.rq @@ -0,0 +1,48 @@ +PREFIX rr: +PREFIX dc: +PREFIX dbo: +PREFIX rdfs: +PREFIX owl: +PREFIX xsd: +PREFIX rml: +PREFIX ql: +PREFIX d2rq: +PREFIX drugbank_vocabulary: +PREFIX hgnc_vocabulary: +PREFIX clinicaltrials_vocabulary: +PREFIX go_vocabulary: +PREFIX goa_vocabulary: +PREFIX bio2rdf_vocabulary: +PREFIX fb_vocabulary: +PREFIX d2s: + +INSERT +{ + GRAPH { + + ?Subject_uri ?Predicate_uri ?Object_uri . + ?Subject_uri a fb_vocabulary:Resource . + + + } +} +WHERE { + GRAPH { + ?row d2s:Subject ?Subject ; + a . + + # Generate URI from ID + + ?row d2s:Predicate ?Predicate . + ?row d2s:Object ?Object . + ?row d2s:Truth_score ?Truth_score . + + BIND ( iri(concat("https://bio2rdf.org/fb:", ?Subject)) AS ?Subject_uri ) + BIND ( iri(concat("https://bio2rdf.org/fb_vocabulary:", ?Predicate)) AS ?Predicate_uri ) + BIND ( iri(concat("https://bio2rdf.org/fb:", ?Object)) AS ?Object_uri ) + + FILTER (?Truth_score = "1\r") + + } +} + diff --git a/archived-datasets/facefp13/metadata/metadata-template-0-summary.rq b/archived-datasets/facefp13/metadata/metadata-template-0-summary.rq new file mode 100644 index 0000000..8131757 --- /dev/null +++ b/archived-datasets/facefp13/metadata/metadata-template-0-summary.rq @@ -0,0 +1,70 @@ +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: + +INSERT { + GRAPH { + + a dct:Agent ; + foaf:name "Institute of Data Science at Maastricht University" ; + foaf:page . + + # Summary + + rdf:type dctypes:Dataset; + dct:title "facefp13" ; + idot:preferredPrefix "facefp13" ; + dct:description "facefp13 dataset to bootstrap a workflow."@en; + dct:publisher ; + + dct:license ; + # Human readable licenses terms + # dct:rights """Rights."""@en ; + + foaf:page ; + schemaorg:logo ; + + # dct:accrualPeriodicity freq:annual ; # frequency of update: annual baseline is released in December of each year + + # dcat:accessURL to specify the directory containing the file(s) of interest (not the direct file URL) + dcat:accessURL ; + + void:sparqlEndpoint "https://graphdb.dumontierlab.com/repositories/ncats-red-kg" ; + + dct:references ; + dcat:keyword "drugs" , "chemicals", "drug interactions" ; + dcat:theme ncit:C48807 , ncit:C54708 . # Chemical, drug interaction + + ## MAY + # dct:references ; # Supporting material as web pages and documents (use cito for publications) + # cito:citesAsAuthority ; # publications about the dataset + # rdfs:seeAlso ; + + # dct:hasPart ; # if the dataset has multiple different parts (e.g. one for Drugs, one for Phenotypes) + # dct:alternative "Alternative label for dataset" ; + # idot:alternatePrefix "alternative_prefix"; + + + ## Needs to be updated at new submission + #pav:hasCurrentVersion ; + } +} WHERE { + BIND(NOW() AS ?now) +} diff --git a/archived-datasets/facefp13/metadata/metadata-template-1.rq b/archived-datasets/facefp13/metadata/metadata-template-1.rq new file mode 100644 index 0000000..aad26d7 --- /dev/null +++ b/archived-datasets/facefp13/metadata/metadata-template-1.rq @@ -0,0 +1,156 @@ +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: + +INSERT { + GRAPH { + + a dct:Agent ; + foaf:name "Institute of Data Science at Maastricht University" ; + foaf:page . + + # Version + ?versionUri + a dctypes:Dataset ; + dct:isVersionOf ?summaryUri ; + pav:version ?pavVersion ; + + dcat:distribution ; + dcat:accessURL ; + + ## MAY + # dct:references ; # Supporting material as web pages and documents (use cito for publications) + # cito:citesAsAuthority ; # publications about the dataset + # rdfs:seeAlso ; + + dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:license ?dctLicense ; + dct:publisher ?dctPublisher ; + idot:preferredPrefix ?idotPreferredPrefix ; + dct:language ?dctLanguage ; + + # TODO: should we put the date of the source release? + dct:issued ?now . + + # TODO: should we have a different license than the summary? + # dct:license ; + + # Same for creator and publisher, should it be HPO for the version? + # dct:creator ; + # dct:publisher ; + + ### RDF Distribution description + + a dcat:Distribution, void:Dataset ; + # TODO: should we use the same pav:version as the source for RDF distribution? + pav:version ?pavVersion ; + # TODO: and should we use the version in RDF distribution URI? After / or # ? + # # more convenient to do strafter() and extract version number + + # TODO: What should be data2services BioLink RDF license? + dct:license ; + void:exampleResource ; + # TODO: should we point createdWith to the SPARQL mappings? + pav:createdWith ; + + # Which publisher for BioLink Dataset? + dct:publisher ; + dct:creator ; + + dct:source ?distributionSourceUri ; + dct:language ?dctLanguage ; + void:vocabulary ; + + dcat:accessURL ; + dcat:downloadURL ; + void:dataDump ; + dcat:mediaType "application/n-quads" ; + + dct:title ?rdfDctTitle ; + dct:description ?rdfDctDistribution ; + dct:conformsTo ?hclsDataset ; + idot:preferredPrefix ?idotPreferredPrefix ; + dct:created ?now . + + # MAY + # pav:previousVersion ; + # idot:accessIdentifierPattern "^http://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL\\d+" ; + # idot:identifierPattern "CHEMBL\\d+"^^xsd:string ; + # void:uriRegexPattern "http://rdf.ebi.ac.uk/resource/chembl/target/CHEMBL\\d+" ; + # idot:accessPattern "http://identifiers.org/chembl.compound/"; + # idot:exampleIdentifier "CHEMBL_TC_4803"^^xsd:string ; + + ### Source distribution (non-RDF) description + ?distributionSourceUri + a dcat:Distribution ; + dct:format "application/xml" ; + dcat:downloadURL + ; + idot:exampleIdentifier "DB00001"^^xsd:string ; + + # TODO: should we put issues? + + # TODO: Same publisher as source? + dct:publisher ?dctPublisher ; + dct:creator ?dctPublisher ; + pav:version ?pavVersion ; + + dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:rights ?dctRights ; + dct:license ?dctLicense ; + idot:preferredPrefix ?idotPreferredPrefix ; + pav:retrievedOn ?now ; + dct:language ?dctLanguage ; + dct:conformsTo ?hclsDataset . + + # MAY + # pav:previousVersion ; + # idot:accessPattern "http://identifiers.org/drugbank:" ; + } +} WHERE { + + BIND("0.0.1"^^xsd:string AS ?pavVersion) + + BIND( AS ?summaryUri) + BIND( AS ?dctLanguage) + + # Extract RDF version from URI. Only works if using #1 + BIND(strafter(str("?_output"), "#") AS ?rdfPavVersion) + BIND(concat("N-Quads distribution of facefp13 build #", ?rdfPavVersion) AS ?rdfDctTitle) + BIND(concat("N-Quads distribution of facefp13 build #", ?rdfPavVersion, " produced by Data2Services on NOW()") AS ?rdfDctDescription) + + BIND(NOW() AS ?now) + # Get generic informations from summary + OPTIONAL { + ?summaryUri dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:license ?dctLicense ; + dct:publisher ?dctPublisher ; + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix . + } + + # Generates URIs from pav:version + BIND(iri(concat(str(?summaryUri), "version#", str(?pavVersion))) AS ?versionUri) + BIND(iri(concat(str(?summaryUri), "distribution/source#", str(?pavVersion))) AS ?distributionSourceUri) + BIND( AS ?hclsDataset) +} diff --git a/archived-datasets/gote/config.yml b/archived-datasets/gote/config.yml new file mode 100644 index 0000000..e75a26f --- /dev/null +++ b/archived-datasets/gote/config.yml @@ -0,0 +1,55 @@ + +## For Tabular files workflows +dataset_to_process: "gote" + +## For XML workflows +# dir_to_process: +# class: Directory +# path: ../../workspace/input/gote + +sparql_final_graph_uri: "https://w3id.org/trek/graph/gote" + + +# Final SPARQL endpoint to load the BioLink RDF +# Add /statements for RDF4J server like GraphDB +# sparql_final_triplestore_url: "https://graphdb.dumontierlab.com/repositories/trek" +sparql_final_triplestore_url: "http://graphdb:7200/repositories/trek/statements" + +sparql_final_triplestore_username: "import_user" +sparql_final_triplestore_password: "dba" + +# R2RML params +input_data_jdbc: "jdbc:drill:drillbit=drill:31010" + +# Temporary triplestore (e.g. Virtuoso). TODO: improve +sparql_tmp_service_url: "http://tmp-virtuoso:8890/sparql" +# sparql_tmp_service_url: "http://blazegraph:8082/bigdata/sparql" + +sparql_tmp_triplestore_url: "http://tmp-virtuoso:8890/sparql" +# sparql_tmp_triplestore_url: "http://blazegraph:8082/bigdata/sparql" +sparql_tmp_triplestore_username: "dba" +sparql_tmp_triplestore_password: "dba" + +sparql_tmp_graph_uri: "https://w3id.org/d2s/graph/gote" +# sparql_tmp_graph_uri: "https://w3id.org/d2s/graph/xml2rdf" +tmp_triplestore_container_id: "d2s-tmp-virtuoso" +tmp_triplestore_load_dir: "/usr/local/virtuoso-opensource/var/lib/virtuoso/db" + +# Split params +# split_property: "https://w3id.org/biolink/vocab/has_participant" +# split_class: "https://w3id.org/biolink/vocab/GeneGrouping" +# split_delimiter: "," +# split_quote: '"' + +sparql_transform_queries_path: "mapping" +sparql_insert_metadata_path: "metadata" + +cwl_workflow_filename: "csv-virtuoso.cwl" + +config_dir: + class: Directory + path: . + +cwl_dir: + class: Directory + path: ../../d2s-core \ No newline at end of file diff --git a/archived-datasets/gote/download/download.sh b/archived-datasets/gote/download/download.sh new file mode 100755 index 0000000..449c912 --- /dev/null +++ b/archived-datasets/gote/download/download.sh @@ -0,0 +1,30 @@ +#!/bin/bash + +BASE_URI="http://tatonettilab.org/resources/GOTE/source_code/results/" + +########## Download files + +## HTML EXTRACT URL to an array +# Download simple HTML page and name it as index.html +wget -O index.html -a download.log $BASE_URI +# Extract URL fron the HTML document to an array. Feel free to change the regex +array=( $(cat index.html | sed -r -n 's/.*href="([^"]*?\.txt)".*/\1/p') ) +for var in "${array[@]}" +do + # Download each URL + wget -N -a download.log $BASE_URI${var} +done + + +## RENAME EXTENSION (e.g.: txt in tsv) +rename s/\.txt/.tsv/ *.txt + + +## ADD COLUMNS NAME +sed -i '1s/^/TissueName\tGpcrUniprotId\tPathwayNames\tPathwayPValue\tZscoreHighGpcrExpression\tZscoreSpecificExpression\n/' *.tsv + +# Convert TSV to CSV for RMLStreamer +# sed -e 's/"/\\"/g' -e 's/\t/","/g' -e 's/^/"/' -e 's/$/"/' -e 's/\r//' concepts.tsv > concepts.csv + +# Make sure right permissions are set properly +chmod 777 * \ No newline at end of file diff --git a/archived-datasets/gote/mapping/insert-gote.rq b/archived-datasets/gote/mapping/insert-gote.rq new file mode 100644 index 0000000..9fc30d3 --- /dev/null +++ b/archived-datasets/gote/mapping/insert-gote.rq @@ -0,0 +1,77 @@ +PREFIX d2smodel: +PREFIX rdfs: +PREFIX owl: +PREFIX dc: +PREFIX dcterms: +PREFIX bl: +PREFIX w3idvocab: +INSERT +{ + GRAPH { + ?protUri a bl:Protein ; + bl:id ?protUriId . + + ?tissueUri a bl:GrossAnatomicalStructure ; # tissue + bl:id ?tissueUriId ; + bl:name ?tissueName . + + ?pathwayUri a bl:Pathway ; # tissue-specific molecular pathway + bl:id ?pathwayUriId ; + bl:name ?pathwayName ; + bl:part_of ?tissueUri . + + ?interactionUri a bl:MacromolecularMachineToBiologicalProcessAssociation ; + bl:relation bl:expressed_in ; + bl:subject ?protUri ; + bl:object ?pathwayUri ; + bl:p_value ?pathwayPvalue ; + bl:quantifier_qualifier ?highScoreUri ; + bl:quantifier_qualifier ?specificScoreUri . + + ?highScoreUri a bl:RelationshipQuantifier ; + bl:id "zScoreHighGpcrExpression" ; + bl:name "High GPCR z-score" ; + bl:description "z-score of GPCR represents how high the GPCR is expressed in the tissue" ; + bl:node_property ?zScoreHighGpcrExpression . + + ?specificScoreUri a bl:SpecificityQuantifier ; + bl:id "zScoreSpecificExpression" ; + bl:name "Specific GPCR z-score" ; + bl:description "z-score of GPCR represents how specific the GPCR is expressed in the tissue" ; + bl:node_property ?zScoreSpecificExpression . + + } +} +WHERE { + SERVICE { + GRAPH { + # gpcr_pathway.R: predicting G-protein independent pathways transduced by beta-arrestins. + # gpcr_gp_pathway.R: predicting G-protein dependent pathways transduced by G-proteins. + # do a bind on contains _gp_ to have different type? + + ?s d2smodel:Gpcruniprotid ?protId . + ?s d2smodel:Pathwaynames ?pathwayName . + ?s d2smodel:Tissuename ?tissueName . + + BIND( iri(concat("https://identifiers.org/uniprot/", ?protId ) ) AS ?protUri ) + BIND(str(?protUri) AS ?protUriId) + BIND( iri(concat("https://w3id.org/d2s/data/pathway/", md5(?pathwayName) ) ) AS ?pathwayUri ) + BIND(str(?pathwayUri) AS ?pathwayUriId) + BIND( iri(concat("https://w3id.org/d2s/data/tissue/", md5(?tissueName) ) ) AS ?tissueUri ) + BIND(str(?tissueUri) AS ?tissueUriId) + BIND( iri(concat("https://w3id.org/d2s/data/protein/interaction/", md5(concat(?protId, ?tissueName, ?pathwayName)) ) ) AS ?interactionUri ) + + OPTIONAL { + ?s d2smodel:Pathwaypvalue ?pathwayPvalue . + BIND( iri(concat(str(?interactionUri), "/pathway_pvalue")) AS ?pathwayPvalueUri) + } OPTIONAL { + ?s d2smodel:Zscorehighgpcrexpression ?zScoreHighGpcrExpression . + BIND( iri(concat(str(?interactionUri), "/high_score")) AS ?highScoreUri) + } OPTIONAL { + ?s d2smodel:Zscorespecificexpression ?zScoreSpecificExpression . + BIND( iri(concat(str(?interactionUri), "/specific_score")) AS ?specificScoreUri) + } + + } + } +} \ No newline at end of file diff --git a/archived-datasets/gote/metadata/metadata-gote-0-summary.rq b/archived-datasets/gote/metadata/metadata-gote-0-summary.rq new file mode 100644 index 0000000..1c8ee42 --- /dev/null +++ b/archived-datasets/gote/metadata/metadata-gote-0-summary.rq @@ -0,0 +1,76 @@ +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: + +INSERT { + GRAPH { + + # Agent publishing the dataset + ?publisherUri a dct:Agent ; + foaf:name ?publisherName ; + foaf:page . + + # Summary + + rdf:type dctypes:Dataset; + dct:title "GOTE Protein-Pathway" ; + idot:preferredPrefix "gote" ; + dct:description "G protein-coupled receptors (GPCRs) are central to how cells respond to their environment and a major class of pharmacological targets. We developed a data-driven method named GOTE, that connects Gpcrs to downstream cellular pathways by the Tissue Expression. Links G-protein coupled receptors to tissue-specific molecular pathways. 93,012 connections for 213 GPCRs and 654 pathways in 196 tissues/cell types available."@en; + dct:publisher ?publisherUri ; + + dct:license ; + # Human readable licenses terms + # dct:rights """Rights."""@en ; + + # The homepage of the dataset + foaf:page ; + # schemaorg:logo ; + + dcat:accessURL ; + # Specify the directory containing the file(s) of interest (not the direct file URL) + + #dct:references ; + dcat:keyword "drug discovery" ; + dcat:theme ; + # ncit:C48807 Chemical, ncit:C54708 drug interaction + + # dct:accrualPeriodicity freq:annual ; + # frequency of update: annual baseline is released in December of each year + + void:sparqlEndpoint "https://graphdb.dumontierlab.com/repositories/trek" . + + ## MAY + # dct:references ; # Supporting material as web pages and documents (use cito for publications) + # cito:citesAsAuthority ; # publications about the dataset + # rdfs:seeAlso ; + + # dct:hasPart ; # if the dataset has multiple different parts (e.g. one for Drugs, one for Phenotypes) + # dct:alternative "Alternative label for dataset" ; + # idot:alternatePrefix "alternative_prefix"; + + + ## Needs to be updated at new submission + #pav:hasCurrentVersion ; + } +} WHERE { + BIND(NOW() AS ?now) + BIND ( "Tatonetti lab" as ?publisherName) + BIND ( iri(concat("https://w3id.org/d2s/agent/", md5(?publisherName))) AS ?publisherUri ) +} diff --git a/archived-datasets/gote/metadata/metadata-gote-1.rq b/archived-datasets/gote/metadata/metadata-gote-1.rq new file mode 100644 index 0000000..e6a937b --- /dev/null +++ b/archived-datasets/gote/metadata/metadata-gote-1.rq @@ -0,0 +1,163 @@ +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: + +INSERT { + GRAPH { + + # Agent publishing the RDF distribution + ?rdfPublisherUri a dct:Agent ; + foaf:name ?rdfPublisherName ; + foaf:page . + + # Version + ?versionUri + a dctypes:Dataset ; + dct:isVersionOf ?summaryUri ; + pav:version ?pavVersion ; + + dcat:distribution ; + # dcat:accessURL ; + + ## MAY + # dct:references ; # Supporting material as web pages and documents (use cito for publications) + # cito:citesAsAuthority ; # publications about the dataset + # rdfs:seeAlso ; + + dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:license ?sourceLicense ; + dct:publisher ?sourcePublisher ; + idot:preferredPrefix ?idotPreferredPrefix ; + dct:language ?dctLanguage ; + + # TODO: should we put the date of the source release? + dct:issued ?now . + + # TODO: should we have a different license than the summary? + # dct:license ; + + # Same for creator and publisher, should it be HPO for the version? + # dct:creator ; + # dct:publisher ; + + ### RDF Distribution description + + a dcat:Distribution, void:Dataset ; + # TODO: should we use the same pav:version as the source for RDF distribution? + pav:version ?pavVersion ; + # TODO: and should we use the version in RDF distribution URI? After / or # ? + # # more convenient to do strafter() and extract version number + + # TODO: What should be data2services BioLink RDF license? + dct:license ; + + # void:exampleResource ; + + # TODO: should we point createdWith to the SPARQL mappings? Or d2s-cli URL? + pav:createdWith ; + + # Which publisher for RDF BioLink Dataset? IDS by default + dct:publisher ?rdfPublisherUri ; + dct:creator ?rdfPublisherUri ; + + dct:source ?distributionSourceUri ; + dct:language ?dctLanguage ; + void:vocabulary ; + + # TODO: Use dcat:accessURL to specify a directory containing the file(s) of interest. + dcat:accessURL ; + dcat:downloadURL ; + void:dataDump ; + dcat:mediaType "application/n-quads" ; + + dct:title ?rdfDctTitle ; + dct:description ?rdfDctDistribution ; + dct:conformsTo ?hclsDataset ; + idot:preferredPrefix ?idotPreferredPrefix ; + dct:created ?now . + + # MAY + # pav:previousVersion ; + # idot:accessIdentifierPattern "^http://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL\\d+" ; + # idot:identifierPattern "CHEMBL\\d+"^^xsd:string ; + # void:uriRegexPattern "http://rdf.ebi.ac.uk/resource/chembl/target/CHEMBL\\d+" ; + # idot:accessPattern "http://identifiers.org/chembl.compound/"; + # idot:exampleIdentifier "CHEMBL_TC_4803"^^xsd:string ; + + ### Source distribution (non-RDF) description + ?distributionSourceUri + a dcat:Distribution ; + dct:format "text/tab-separated-values" ; + dcat:downloadURL ; + + # idot:exampleIdentifier "DB00001"^^xsd:string ; + + # TODO: should we put issues? + + # TODO: Same publisher as source? + dct:publisher ?sourcePublisher ; + dct:creator ?sourcePublisher ; + pav:version ?pavVersion ; + + dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:rights ?dctRights ; + dct:license ?sourceLicense ; + idot:preferredPrefix ?idotPreferredPrefix ; + pav:retrievedOn ?now ; + dct:language ?dctLanguage ; + dct:conformsTo ?hclsDataset . + + # MAY + # pav:previousVersion ; + # idot:accessPattern "http://identifiers.org/drugbank:" ; + } +} WHERE { + # Version of the source dataset + BIND("1"^^xsd:string AS ?pavVersion) + + BIND( AS ?summaryUri) + BIND( AS ?dctLanguage) + + # Version of our RDF distribution version + BIND("1"^^xsd:string AS ?rdfPavVersion) + BIND(concat("N-Quads distribution of GOTE Protein-Pathway build #", ?rdfPavVersion) AS ?rdfDctTitle) + BIND(concat("N-Quads distribution of GOTE Protein-Pathway build #", ?rdfPavVersion, " produced by Data2Services on NOW()") AS ?rdfDctDescription) + + BIND(NOW() AS ?now) + # Get generic informations from summary + OPTIONAL { + ?summaryUri dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:license ?sourceLicense ; + dct:publisher ?sourcePublisher ; + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix . + } + + # Generates URIs from pav:version + BIND(iri(concat(str(?summaryUri), "/version#", str(?pavVersion))) AS ?versionUri) + BIND(iri(concat(str(?summaryUri), "/distribution/source#", str(?pavVersion))) AS ?distributionSourceUri) + BIND( AS ?hclsDataset) + + BIND ( "Institute of Data Science at Maastricht University" as ?rdfPublisherName) + BIND ( iri(concat("https://w3id.org/d2s/agent/", md5(?rdfPublisherName))) AS ?rdfPublisherUri ) +} diff --git a/archived-datasets/gote/process-gote.ipynb b/archived-datasets/gote/process-gote.ipynb new file mode 100644 index 0000000..b32eb48 --- /dev/null +++ b/archived-datasets/gote/process-gote.ipynb @@ -0,0 +1,122 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# Process GOTE Protein-Pathway Data\n", + "\n", + "Jupyter Notebook to download and preprocess files to transform to BioLink RDF.\n", + "\n", + "### Download files\n", + "\n", + "The download can be defined:\n", + "* in this Jupyter Notebook using Python\n", + "* as a Bash script in the `download/download.sh` file, and executed using `d2s download gote`\n", + "\n" + ] + }, + { + "cell_type": "code", + "execution_count": 9, + "metadata": {}, + "outputs": [], + "source": [ + "import os\n", + "import glob\n", + "\n", + "# Variables and path for the dataset\n", + "dataset_id = 'gote'\n", + "input_folder = '/notebooks/workspace/input/' + dataset_id\n", + "mapping_folder = '/notebooks/datasets/' + dataset_id + '/mapping'\n", + "os.makedirs(input_folder, exist_ok=True)" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "# Use input folder as working folder\n", + "os.chdir(input_folder)\n", + "\n", + "# At http://tatonettilab.org/resources/GOTE/source_code/results/\n", + "files_to_download = [\n", + " 'http://tatonettilab.org/resources/GOTE/source_code/results/gpcr_gp_reactome_GTex.txt_0.05_0.05_0.05_0.001.txt',\n", + " 'http://tatonettilab.org/resources/GOTE/source_code/results/gpcr_gp_reactome_HPM_gene_level_epxression_matrix_Kim_et_al_052914.csv.txt_0.05_0.05_0.05_0.001.txt',\n", + " 'http://tatonettilab.org/resources/GOTE/source_code/results/gpcr_gp_reactome_HPM_protein.csv_0.05_0.05_0.05_0.001.txt',\n", + " 'http://tatonettilab.org/resources/GOTE/source_code/results/gpcr_gp_reactome_NCI60.csv_0.05_0.05_0.05_0.001.txt',\n", + " 'http://tatonettilab.org/resources/GOTE/source_code/results/gpcr_gp_reactome_U133A.gcrma.avg.csv_0.05_0.05_0.05_0.001.txt',\n", + " 'http://tatonettilab.org/resources/GOTE/source_code/results/gpcr_reactome_GTex.txt_0.05_0.05_0.05_0.001.txt',\n", + " 'http://tatonettilab.org/resources/GOTE/source_code/results/gpcr_reactome_HPM_gene_level_epxression_matrix_Kim_et_al_052914.csv.txt_0.05_0.05_0.05_0.001.txt',\n", + " 'http://tatonettilab.org/resources/GOTE/source_code/results/gpcr_reactome_HPM_protein.csv_0.05_0.05_0.05_0.001.txt',\n", + " 'http://tatonettilab.org/resources/GOTE/source_code/results/gpcr_reactome_NCI60.csv_0.05_0.05_0.05_0.001.txt',\n", + " 'http://tatonettilab.org/resources/GOTE/source_code/results/gpcr_reactome_U133A.gcrma.avg.csv_0.05_0.05_0.05_0.001.txt'\n", + "]\n", + "\n", + "# Download each file and uncompress them if needed\n", + "# Use Bash because faster and more reliable than Python\n", + "for download_url in files_to_download:\n", + " os.system('wget -N ' + download_url)\n", + "\n", + "# Rename .txt to .tsv\n", + "listing = glob.glob('*.txt')\n", + "for filename in listing:\n", + " os.rename(filename, filename[:-4] + '.tsv')\n" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Process and load concepts\n", + "\n", + "We will use CWL workflows to integrate data with SPARQL queries. The structured data is first converted to a generic RDF based on the data structure, then mapped to BioLink using SPARQL. The SPARQL queries are defined in `.rq` files and can be [accessed on GitHub](https://github.com/MaastrichtU-IDS/d2s-project-template/tree/master/datasets/gote/mapping).\n", + "\n", + "Start the required services (here on our server, defined by the `-d trek` arg):\n", + "\n", + "```bash\n", + "d2s start tmp-virtuoso drill -d trek\n", + "```\n", + "\n", + "Run the following d2s command in the d2s-project folder:\n", + "\n", + "```bash\n", + "d2s run csv-virtuoso.cwl gote\n", + "```\n", + "\n", + "[HCLS metadata](https://www.w3.org/TR/hcls-dataset/) can be computed for the gote graph:\n", + "\n", + "```bash\n", + "d2s run compute-hcls-metadata.cwl gote\n", + "```\n", + "\n", + "## Load the BioLink model\n", + "\n", + "Load the [BioLink model ontology as Turtle](https://github.com/biolink/biolink-model/blob/master/biolink-model.ttl) in the graph `https://w3id.org/biolink/biolink-model` in the triplestore\n" + ] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 3", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.8.2" + } + }, + "nbformat": 4, + "nbformat_minor": 4 +} \ No newline at end of file diff --git a/archived-datasets/imported-biogrid-monarch/00-insert-metadata-summary-biogrid.rq b/archived-datasets/imported-biogrid-monarch/00-insert-metadata-summary-biogrid.rq new file mode 100644 index 0000000..becd94a --- /dev/null +++ b/archived-datasets/imported-biogrid-monarch/00-insert-metadata-summary-biogrid.rq @@ -0,0 +1,117 @@ +#BASE +#PREFIX : +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: + + +PREFIX bl: +PREFIX dqv: +PREFIX hcls: +PREFIX d2sdata: + + +# Complete example at https://www.w3.org/TR/hcls-dataset/#appendix_1 + +INSERT { + GRAPH + { + ### Summary Level (Complete) + ?summaryUri + rdf:type dctypes:Dataset ; # MUST + + ### General informations + dct:title ?dctTitle ; + dct:alternative ?dctAlternative ; + dct:description ?dctDescription ; + dct:publisher ?dctPublisher ; + + foaf:page ?foafPage ; + schemaorg:logo ?schemaorgLogo ; + + dct:license ?dctLicense ; + dct:rights ?dctRights ; + + dcat:theme ?dcatTheme ; #chemical + dcat:keyword ?dcatKeyword ; + + rdfs:seeAlso ?rdfsSeeAlso ; + cito:citesAsAuthority ?citoCitesAsAuthority ; + dct:hasPart ?dctHasPart ; + + ### Identifiers + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix ; + + ### Provenance and Change + #pav:hasCurrentVersion ?pavHasCurrentVersion ; + dct:accrualPeriodicity ?dctAccrualPeriodicity ; + + ### Availability/Distributions + dcat:accessURL ?dcatAccessURL ; # May. Use this to define the graph (A landing page, feed, SPARQL endpoint or other type of resource that gives access to the distribution of the dataset) + void:sparqlEndpoint ?sparqlEndpoint # Should. Only in summary + . + + ?dctPublisher a dct:Agent ; + foaf:name ?dctPublisherName ; + foaf:page ?dctPublisherPage ; + . + } +} +WHERE +{ + ##### User input + + ### MUST + BIND( AS ?summaryUri) # user input + # Careful, ido uses it as void:uriSpace for a dcat:CatalogRecord + + BIND("Biological General Repository for Interaction Datasets"@en AS ?dctTitle) # user input + BIND("BioGRID is an interaction repository with data compiled through comprehensive curation efforts. Our current index is version 3.5.168 and searches 68,215 publications for 1,658,808 protein and genetic interactions, 28,093 chemical associations and 726,378 post translational modifications from major model organism species."@en AS ?dctDescription) # user input + + # Use https://orcid.org/ for researchers when possible or generate a new agent URI (like here) + BIND("NIH National Institutes of Health" AS ?dctPublisherName) # Optional, to store publisher name in our graph if the URI already resolves + BIND( AS ?dctPublisherPage) # Optional, to store publisher info in our graph if the URI already resolves + BIND(iri(concat("https://w3id.org/data2services/agent/", md5(?dctPublisherName))) AS ?dctPublisher) + + BIND("biogrid" AS ?idotPreferredPrefix) # Usually a May but required for data2services since it used as source ID to generate the graph URI. + + BIND( AS ?voidSparqlEndpoint) # Usually a Should but required for data2services. + + + ### SHOULD + BIND( AS ?foafPage) + #BIND(iri("http://www.ebi.ac.uk/rdf/sites/ebi.ac.uk.rdf/files/resize/images/rdf/chembl_service_logo-146x48.gif") AS ?schemaorgLogo) + #BIND(freq:quarterly AS ?dctAccrualPeriodicity) # Use freq: + + + ### MAY + #BIND("Alternative label for dataset" AS ?dctAlternative) + #BIND(iri("http://creativecommons.org/licenses/by-sa/3.0/") AS ?dctLicense) # See https://www.genenames.org/about/ + #BIND("The data in ChEMBL is covered by the Creative Commons By Attribution." AS ?dctRights) + #BIND(ncit:C48807 AS ?dcatTheme) # uri. Example is chemical + #VALUES (?dcatKeyword) { ( "assay" ) ( "chemical" ) } # array + #BIND(iri("http://en.wikipedia.org/wiki/ChEMBL") AS ?rdfsSeeAlso) # uri + #BIND(iri("http://nar.oxfordjournals.org/content/40/D1/D1100") AS ?citoCitesAsAuthority) # uri + #VALUES (?dctHasPart) { ( :chembl17_rdf_molecule_dataset ) ( :chembl17_rdf_target_dataset ) } # uri array of distributions + #BIND("chembldb" AS ?idotAlternatePrefix) # string + + #BIND(iri("https://w3id.org/data2services/dataset/drugbank/version#1") AS ?pavHasCurrentVersion) # We will automatically generate it, atm only using isVersionOf in the version item +} \ No newline at end of file diff --git a/archived-datasets/imported-biogrid-monarch/01-insert-metadata-distribution-biogrid.rq b/archived-datasets/imported-biogrid-monarch/01-insert-metadata-distribution-biogrid.rq new file mode 100644 index 0000000..81974bb --- /dev/null +++ b/archived-datasets/imported-biogrid-monarch/01-insert-metadata-distribution-biogrid.rq @@ -0,0 +1,387 @@ +BASE +PREFIX : +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: +PREFIX bl: +PREFIX dqv: +PREFIX hcls: +PREFIX d2sdata: + + +# Complete example at https://www.w3.org/TR/hcls-dataset/#appendix_1 + +INSERT { + GRAPH { + + ?dctPublisher a dct:Agent ; + foaf:name ?dctPublisherName ; + foaf:page ?dctPublisherPage ; + . + + ?dctCreator a dct:Agent ; + foaf:name ?dctCreatorName + . + + ?dctPublisherRdf a dct:Agent ; + foaf:name ?dctPublisherNameRdf ; + foaf:page ?dctPublisherPageRdf ; + . + + ?dctCreatorRdf a dct:Agent ; + foaf:name ?dctCreatorNameRdf + . + + ### Version Level (Complete) + ?versionUri + rdf:type dctypes:Dataset ; # MUST + + ### General informations + dct:title ?dctTitleVersion ; + dct:alternative ?dctAlternative ; + dct:description ?dctDescription ; + + + dct:created ?dctCreated; + dct:creator ?dctCreator ; + dct:publisher ?dctPublisher ; + + ### Additional dates and actors + pav:createdOn ?pavCreatedOn ; + pav:authoredOn ?pavAuthoredOn; + pav:curatedOn ?pavCuratedOn ; + dct:contributor ?dctContributor ; + pav:createdBy ?pavCreatedBy ; + pav:authoredBy ?pavAuthoredBy ; + pav:curatedBy ?pavCuratedBy ; + dct:issued ?dctIssued ; + + foaf:page ?foafPage ; + schemaorg:logo ?schemaorgLogo ; + + dct:license ?dctLicense ; + dct:rights ?dctRights ; + + dct:language ?dctLanguage ; + dcat:theme ?dcatTheme ; #chemical + dcat:keyword ?dcatKeyword ; + void:vocabulary ?voidVocabulary ; + dct:conformsTo ?dctConformsTo ; + dct:references ?dctReferences ; + + rdfs:seeAlso ?rdfsSeeAlso ; + cito:citesAsAuthority ?citoCitesAsAuthority ; + dct:hasPart ?dctHasPart ; + + ### Identifiers + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix ; + + ### Provenance and Change + pav:version ?pavVersion ; + dct:isVersionOf ?summaryUri ; + pav:previousVersion ?pavPreviousVersion ; + dct:source ?dctSource ; + #pav:retrievedFrom ?dctSource ; + #prov:wasDerivedFrom ?dctSource ; + + #Availability/Distributions + dcat:distribution ?distributionRdfUri, ?distributionSourceUri ; + dcat:accessURL ?dcatAccessURL ; + dcat:landingPage ?dcatLandingPage + . + + + ### Distribution (non-RDF) description (Complete) + ?distributionSourceUri + a dctypes:Dataset, dcat:Distribution ; + ### General informations + dct:title ?sourceDistributionTitle ; + dct:alternative ?dctAlternative ; + dct:description ?dctDescription ; + + dct:created ?dctCreated ; + dct:creator ?dctCreator ; + dct:publisher ?dctPublisher ; + + ### Additional dates and actors + pav:createdOn ?pavCreatedOn ; + pav:authoredOn ?pavAuthoredOn ; + pav:curatedOn ?pavCuratedOn ; + dct:contributor ?dctContributor ; + pav:createdBy ?pavCreatedBy ; + pav:authoredBy ?pavAuthoredBy ; + pav:curatedBy ?pavCuratedBy ; + dct:issued ?dctIssued ; + + foaf:page ?foafPage ; + schemaorg:logo ?schemaorgLogo ; + + dct:license ?dctLicense ; + dct:rights ?dctRights ; + + dct:language ?dctLanguage ; + dcat:theme ?dcatTheme ; #chemical + dcat:keyword ?dcatKeyword ; + + dct:conformsTo ?dctConformsTo ; + dct:references ?dctReferences ; + + rdfs:seeAlso ?rdfsSeeAlso ; + cito:citesAsAuthority ?citoCitesAsAuthority ; + dct:hasPart ?dctHasPart ; + + ### Identifiers + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix ; + idot:identifierPattern ?idotIdentifierPatternSource ; + idot:accessPattern ?idotAccessPatternSource ; + idot:exampleIdentifier ?idotExampleIdentifier ; + + ### Provenance and Change + pav:version ?pavVersion ; + pav:previousVersion ?pavPreviousVersion ; + dct:source ?dctSource ; + #pav:retrievedFrom ?dctSource ; + #prov:wasDerivedFrom ?dctSource ; + pav:createdWith ?pavCreatedWith ; + + #Availability/Distributions + dct:format ?dctFormatSource ; + dcat:accessURL ?dcatAccessURLSource ; + dcat:landingPage ?dcatLandingPageSource ; + dcat:downloadURL ?dcatDownloadURLSource ; + dcat:byteSize ?dcatByteSize + . + + ### RDF Distribution description (Complete) + ?distributionRdfUri + a dctypes:Dataset, dcat:Distribution, void:Dataset ; + ### General informations + dct:title ?rdfDistributionTitle ; + dct:alternative ?dctAlternative ; + dct:description ?dctDescription ; + + dct:created ?dctCreatedRdf ; + dct:creator ?dctCreatorRdf ; + dct:publisher ?dctPublisherRdf ; + + ### Additional dates and actors + pav:createdOn ?pavCreatedOnRdf ; + pav:authoredOn ?pavAuthoredOnRdf; + pav:curatedOn ?pavCuratedOnRdf ; + dct:contributor ?dctContributorRdf ; + pav:createdBy ?pavCreatedByRdf ; + pav:authoredBy ?pavAuthoredByRdf ; + pav:curatedBy ?pavCuratedByRdf ; + dct:issued ?dctIssuedRdf ; + + foaf:page ?foafPage ; + schemaorg:logo ?schemaorgLogo ; + + dct:license ?dctLicense ; + dct:rights ?dctRights ; + + dct:language ?dctLanguage ; + dcat:theme ?dcatTheme ; #chemical + dcat:keyword ?dcatKeyword ; + + dct:conformsTo ?dctConformsTo ; + dct:references ?dctReferences ; + + rdfs:seeAlso ?rdfsSeeAlso ; + cito:citesAsAuthority ?citoCitesAsAuthority ; + void:subset ?voidSubset ; + + ### Identifiers + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix ; + idot:identifierPattern ?idotIdentifierPatternRdf ; + idot:accessPattern ?idotAccessPatternRdf ; + idot:exampleIdentifier ?idotExampleIdentifier ; + void:exampleResource ?voidExampleResourceRdf ; + + ### Provenance and Change + sio:has-data-item ?sioHasDataItem ; + pav:version ?pavVersionRdf ; + pav:previousVersion ?pavPreviousVersionRdf ; + dct:source ?dctSource ; + #pav:retrievedFrom ?dctSource ; + #prov:wasDerivedFrom ?dctSource ; + pav:createdWith ?pavCreatedWithRdf ; + + #Availability/Distributions + dct:format ?dctFormatRdf ; + dcat:accessURL ?dcatAccessURL ; + dcat:landingPage ?dcatLandingPageRdf ; + dcat:downloadURL ?dcatDownloadURLRdf ; + void:dataDump ?voidDataDump + . + + } +} +WHERE +{ + BIND( AS ?summaryUri) # user input. Careful, for drugbank ido uses it as void:uriSpace for a dcat:CatalogRecord + BIND("3.4.158"^^xsd:string AS ?pavVersion) # user input. TODO: extract it from the graph? + BIND("1.0"^^xsd:string AS ?pavVersionRdf) # Increment it from the latest version? Or user input + + # Define the graph (A landing page, feed, SPARQL endpoint or other type of resource that gives access to the distribution of the dataset) + BIND(iri("https://w3id.org/data2services/graph/biolink/biogrid") AS ?dcatAccessURL) # May. uri + # Should we really use it for graph? Monarch is using it for downloadable zip files + + OPTIONAL { + ?summaryUri dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:license ?dctLicense ; + dct:publisher ?dctPublisher ; + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix . + } + + # Needs to be at the beginning + BIND(iri(concat(str(?summaryUri), "version#", str(?pavVersion))) AS ?versionUri) + #getsum: BIND(iri("http://test/") AS ?versionUri) + BIND(iri(concat(str(?summaryUri), "distribution/source#", str(?pavVersion))) AS ?distributionSourceUri) + BIND(iri(concat(str(?summaryUri), "distribution/rdf#", str(?pavVersionRdf))) AS ?distributionRdfUri) + + + ##### User input + + ############## + #### MUST #### + ############## + + + # Use https://orcid.org/ for researchers when possible or generate a new agent URI (like here) + #BIND("DrugBank" AS ?dctPublisherName) # Optional if external URI, to store publisher name in our graph if the URI already resolves + #BIND( AS ?dctPublisherPage) # Optional, to store publisher info in our graph if the URI already resolves + #BIND(iri(concat("https://w3id.org/data2services/agent/", md5(?dctPublisherName))) AS ?dctPublisher) # Get from summary. But let the possibility to redefine it for a dataset + + BIND("NIH National Institutes of Health" AS ?dctCreatorName) # Optional if external URI, to store creator name in our graph if the URI already resolves + BIND(iri(concat("https://w3id.org/data2services/agent/", md5(?dctCreatorName))) AS ?dctCreator) + + #BIND(iri("http://creativecommons.org/licenses/by-sa/3.0/") AS ?dctLicense) # Get from summary. But let the possibility to redefine it for a dataset + + + ## Source Distribution + BIND(concat(?versionTitle, " Database Distribution") AS ?sourceDistributionTitle) + BIND("application/xml" AS ?dctFormatSource) + + ## RDF Distribution + BIND(concat(?versionTitle, " RDF Distribution") AS ?rdfDistributionTitle) + BIND(concat("Converted to BioLink RDF using data2services framework. ", ?description) AS ?rdfDistributionDescription) + VALUES (?dctFormatRdf) { ( ) ( "application/n-quads" ) ( "application/rdf+xml" ) ( "application/n3" ) ( "application/ld+json" ) ( "text/turtle" ) } + BIND("Institute of Data Science at Maastricht University" AS ?dctPublisherNameRdf) # Optional if external URI, to store publisher name in our graph if the URI already resolves + BIND( AS ?dctPublisherPageRdf) # Optional, to store publisher info in our graph if the URI already resolves + BIND(iri(concat("https://w3id.org/data2services/agent/", md5(?dctPublisherNameRdf))) AS ?dctPublisherRdf) + + BIND("Institute of Data Science at Maastricht University" AS ?dctCreatorNameRdf) # Optional if external URI, to store creator name in our graph if the URI already resolves + BIND(iri(concat("https://w3id.org/data2services/agent/", md5(?dctCreatorNameRdf))) AS ?dctCreatorRdf) + + + ############## + ### SHOULD ### + ############## + + #BIND("2013-08"^^xsd:gYearMonth AS ?dctCreated) + BIND("2018-03-12"^^xsd:date AS ?dctIssued) # Same for version and source distribution + # TODO: extract from biogrid_dataset.ttl? + + #BIND(iri("http://www.ebi.ac.uk/chembl/") AS ?foafPage) + #BIND(iri("http://www.ebi.ac.uk/rdf/sites/ebi.ac.uk.rdf/files/resize/images/rdf/chembl_service_logo-146x48.gif") AS ?schemaorgLogo) + BIND( AS ?dctLanguage) + #BIND( AS ?pavPreviousVersion) + #BIND(:pubchem-bioassay-09-01-2014 AS ?dctSource) + + ## Source distribution + BIND( AS ?dcatDownloadURLSource) # user input + #BIND("1"^^xsd:string AS ?pavVersionSource) # user input + #BIND( AS ?pavPreviousVersion) + #BIND( AS ?pavCreatedWith ) + #BIND( AS ?dcatDownloadURLSource ) + #BIND("861443887"^^xsd:decimal AS ?dcatByteSize ) + + ## RDF distribution + BIND(now() AS ?dctIssuedRdf) + BIND( AS ?voidVocabulary) + #BIND( AS ?pavPreviousVersionRdf) + BIND( AS ?dcatLandingPageRdf) + BIND( AS ?pavCreatedWithRdf ) + BIND( AS ?dcatDownloadURLRdf) + BIND( AS ?voidDataDump ) + + + ############# + #### MAY #### + ############# + + BIND( AS ?dctConformsTo) # constant. uri + #BIND("HGNC:7720"^^xsd:string AS ?idotExampleIdentifier) + + #BIND("Alternative label for dataset" AS ?dctAlternative) + #BIND("The data in ChEMBL is covered by the Creative Commons By Attribution." AS ?dctRights) + #BIND( AS ?dcatLandingPage) + + # Additional dates and actors. Same for version and RDF distribution + #BIND("2013-08"^^xsd:gYearMonth AS ?pavCreatedOn) + #BIND("2013-08"^^xsd:gYearMonth AS ?pavAuthoredOn) + #BIND("2013-08"^^xsd:gYearMonth AS ?pavCuratedOn) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?dctContributor) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavCreatedBy) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavIssuedBy) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavAuthoredBy) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavCuratedBy) + + ## Source + #BIND( AS ?dcatAccessURLSource) + #BIND( AS ?dcatLandingPageSource) + + #BIND(ncit:C48807 AS ?dcatTheme) # uri. Example is chemical + #VALUES (?dcatKeyword) { ( "assay" ) ( "chemical" ) } # array + #BIND(iri("http://dx.doi.org/10.1093/bioinformatics/btt765") AS ?dctReferences) # uri + #BIND(iri("http://en.wikipedia.org/wiki/ChEMBL") AS ?rdfsSeeAlso) # uri + #BIND(iri("http://nar.oxfordjournals.org/content/40/D1/D1100") AS ?citoCitesAsAuthority) # uri + #VALUES (?dctHasPart) { ( :chembl17_rdf_molecule_dataset ) ( :chembl17_rdf_target_dataset ) } # uri array of distributions + + #BIND("CHEMBL\\d+"^^xsd:string AS ?idotIdentifierPatternSource) + #VALUES (?idotAccessPatternSource) { ( "http://bio2rdf.org/chembl ) ( "http://identifiers.org/chembl.compound/" ) } # array + + ## RDF distribution + BIND( AS ?voidExampleResourceRdf) # TODO: automate + BIND( AS ?sioHasDataItem) + #VALUES (?voidSubset) { ( :chembl17_rdf_molecule_dataset ) ( :chembl17_rdf_target_dataset ) } # uri array of distributions + #BIND("CHEMBL\\d+"^^xsd:string AS ?idotIdentifierPatternRdf) + #VALUES (?idotAccessPatternRdf) { ( "http://bio2rdf.org/chembl ) ( "http://identifiers.org/chembl.compound/" ) } # array + + # Additional dates and actors + #BIND("2013-08"^^xsd:gYearMonth AS ?pavCreatedOnRdf) + #BIND("2013-08"^^xsd:gYearMonth AS ?pavAuthoredOnRdf) + #BIND("2013-08"^^xsd:gYearMonth AS ?pavCuratedOnRdf) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?dctContributorRdf) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavCreatedByRdf) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavIssuedByRdf) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavAuthoredByRdf) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavCuratedByRdf) + + # TODO: Automate those + +} + diff --git a/archived-datasets/imported-biogrid-monarch/insert_biogrid.rq b/archived-datasets/imported-biogrid-monarch/insert_biogrid.rq new file mode 100644 index 0000000..1ebc992 --- /dev/null +++ b/archived-datasets/imported-biogrid-monarch/insert_biogrid.rq @@ -0,0 +1,49 @@ +PREFIX d2sgeneric: +PREFIX d2smodel: +PREFIX rdfs: +PREFIX owl: +PREFIX dc: +PREFIX dcterms: +PREFIX bl: +PREFIX w3idvocab: +PREFIX oban: +# https://archive.monarchinitiative.org/latest/ttl/biogrid.ttl +INSERT +{ + GRAPH { + # See https://graphdb.dumontierlab.com/resource?uri=https:%2F%2Fmonarchinitiative.org%2FMONARCH_0005916c58ab2315 + + ?subjectUri a bl:Gene ; + bl:same_as ?associationSubject . + ?objectUri a bl:Gene ; + bl:same_as ?associationObject . + + ?association a bl:PairwiseGeneToGeneInteraction ; + bl:gene_to_gene_association_subject ?subjectUri ; + bl:pairwise_gene_to_gene_interaction_relation ?associationPredicate ; # Interacts_with http://purl.obolibrary.org/obo/RO_0002434, colocalize with http://www.ontobee.org/ontology/RO?iri=http://purl.obolibrary.org/obo/RO_0002325, genetically interacts with genetically interacts with + #bl:genetically_interacts_with or bl:interacts_with and bl:FunctionalAssociation ? + bl:gene_to_gene_association_object ?objectUri ; + bl:has_evidence ?evidenceUri . + + ?evidenceUri a bl:Publication ; + bl:category ?associationEvidence ; + bl:node_property ?associationSource . + } +} +WHERE { + SERVICE { + GRAPH { + ?association a oban:association ; + oban:association_has_subject ?associationSubject ; + oban:association_has_predicate ?associationPredicate ; # Interacts_with http://purl.obolibrary.org/obo/RO_0002434 + oban:association_has_object ?associationObject ; + dc:source ?associationSource ; + ?associationEvidence . + + BIND( iri(replace(str(?associationSubject), "http://www.ncbi.nlm.nih.gov/gene/", "https://identifiers.org/ncbigene:")) AS ?subjectUri ) + BIND( iri(replace(str(?associationObject), "http://www.ncbi.nlm.nih.gov/gene/", "https://identifiers.org/ncbigene:")) AS ?objectUri ) + BIND ( iri(concat("https://w3id.org/data2services/data/evidence/", md5(concat(str(?associationSource), str(?associationEvidence))) )) AS ?evidenceUri ) + + } + } +} \ No newline at end of file diff --git a/archived-datasets/imported-biopax-pathwaycommons/00-insert-metadata-summary-pathwaycommons.rq b/archived-datasets/imported-biopax-pathwaycommons/00-insert-metadata-summary-pathwaycommons.rq new file mode 100644 index 0000000..a767dc0 --- /dev/null +++ b/archived-datasets/imported-biopax-pathwaycommons/00-insert-metadata-summary-pathwaycommons.rq @@ -0,0 +1,127 @@ +#BASE +#PREFIX : +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: + + +PREFIX bl: +PREFIX dqv: +PREFIX hcls: +PREFIX d2sdata: + + +# Complete example at https://www.w3.org/TR/hcls-dataset/#appendix_1 + +INSERT { + GRAPH + { + ### Summary Level (Complete) + ?summaryUri + rdf:type dctypes:Dataset ; # MUST + + ### General informations + dct:title ?dctTitle ; + dct:alternative ?dctAlternative ; + dct:description ?dctDescription ; + dct:publisher ?dctPublisher ; + + foaf:page ?foafPage ; + schemaorg:logo ?schemaorgLogo ; + + dct:license ?dctLicense ; + dct:rights ?dctRights ; + + dcat:theme ?dcatTheme ; #chemical + dcat:keyword ?dcatKeyword ; + + rdfs:seeAlso ?rdfsSeeAlso ; + cito:citesAsAuthority ?citoCitesAsAuthority ; + dct:hasPart ?dctHasPart ; + + ### Identifiers + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix ; + + ### Provenance and Change + #pav:hasCurrentVersion ?pavHasCurrentVersion ; + dct:accrualPeriodicity ?dctAccrualPeriodicity ; + + ### Availability/Distributions + dcat:accessURL ?dcatAccessURL ; # May. Use this to define the graph (A landing page, feed, SPARQL endpoint or other type of resource that gives access to the distribution of the dataset) + void:sparqlEndpoint ?sparqlEndpoint # Should. Only in summary + . + + ?dctPublisher a dct:Agent ; + foaf:name ?dctPublisherName ; + foaf:page ?dctPublisherPage ; + . + } +} +WHERE +{ + + ##### User input + + ### MUST + BIND( AS ?summaryUri) # user input + # Careful, ido uses it as void:uriSpace for a dcat:CatalogRecord + + BIND("Pathway Commons"@en AS ?dctTitle) # user input + BIND("Pathway Commons aims to collect and disseminate biological pathway and interaction data. Data is collected from partner databases and is represented in the BioPAX standard. By representing data in BioPAX, Pathway Commons is able to provide a detailed representation of a variety of biological concepts including: Biochemical reactions; gene regulatory networks; and genetic interactions; transport and catalysis events; and physical interactions involving proteins, DNA, RNA and small molecules and complexes. Data sources: Reactome, NCI Pathway Interaction Database, PhosphoSitePlus, HumanCyc, HPRD, PANTHER Pathway, BioGRID, Database of Interacting Proteins, INTACT, BIND, CORUM, MSigDB, miRTarBase, DrugBank, Recon X, Comparative Toxicogenomics Database, KEGG Pathway, WikiPathways, Integrating Network Objects with Hierarchies, NetPath, InnateDB, SwissProt, UniChem"@en AS ?dctDescription) # user input + + # Use https://orcid.org/ for researchers when possible or generate a new agent URI (like here) + BIND("Demir Lab" AS ?dctPublisherName) # Optional, to store publisher name in our graph if the URI already resolves + BIND( AS ?dctPublisherPage) # Optional, to store publisher info in our graph if the URI already resolves + BIND(iri(concat("https://w3id.org/data2services/agent/", md5(?dctPublisherName))) AS ?dctPublisher) + + BIND("Sander Lab" AS ?dctPublisherName2) + BIND( AS ?dctPublisherPage2) + BIND(iri(concat("https://w3id.org/data2services/agent/", md5(?dctPublisherName2))) AS ?dctPublisher2) + + BIND("Bader Lab" AS ?dctPublisherName3) + BIND( AS ?dctPublisherPage3) + BIND(iri(concat("https://w3id.org/data2services/agent/", md5(?dctPublisherName3))) AS ?dctPublisher3) + + + BIND("pathwaycommons" AS ?idotPreferredPrefix) # Usually a May but required for data2services since it used as source ID to generate the graph URI. + + BIND( AS ?voidSparqlEndpoint) # Usually a Should but required for data2services. + + + ### SHOULD + BIND( AS ?foafPage) + #BIND(iri("http://www.ebi.ac.uk/rdf/sites/ebi.ac.uk.rdf/files/resize/images/rdf/chembl_service_logo-146x48.gif") AS ?schemaorgLogo) + #BIND(freq:quarterly AS ?dctAccrualPeriodicity) # Use freq: + + + ### MAY + #BIND("Alternative label for dataset" AS ?dctAlternative) + #BIND(iri("http://creativecommons.org/licenses/by-sa/3.0/") AS ?dctLicense) # See https://www.genenames.org/about/ + #BIND("The data in ChEMBL is covered by the Creative Commons By Attribution." AS ?dctRights) + #BIND(ncit:C48807 AS ?dcatTheme) # uri. Example is chemical + #VALUES (?dcatKeyword) { ( "assay" ) ( "chemical" ) } # array + #BIND(iri("http://en.wikipedia.org/wiki/ChEMBL") AS ?rdfsSeeAlso) # uri + #BIND(iri("http://nar.oxfordjournals.org/content/40/D1/D1100") AS ?citoCitesAsAuthority) # uri + #VALUES (?dctHasPart) { ( :chembl17_rdf_molecule_dataset ) ( :chembl17_rdf_target_dataset ) } # uri array of distributions + #BIND("chembldb" AS ?idotAlternatePrefix) # string + + #BIND(iri("https://w3id.org/data2services/dataset/drugbank/version#1") AS ?pavHasCurrentVersion) # We will automatically generate it, atm only using isVersionOf in the version item +} \ No newline at end of file diff --git a/archived-datasets/imported-biopax-pathwaycommons/01-insert-metadata-distribution-pathwaycommons.rq b/archived-datasets/imported-biopax-pathwaycommons/01-insert-metadata-distribution-pathwaycommons.rq new file mode 100644 index 0000000..e296cf3 --- /dev/null +++ b/archived-datasets/imported-biopax-pathwaycommons/01-insert-metadata-distribution-pathwaycommons.rq @@ -0,0 +1,379 @@ +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: +PREFIX bl: +PREFIX dqv: +PREFIX hcls: +PREFIX d2sdata: + + +# Complete example at https://www.w3.org/TR/hcls-dataset/#appendix_1 + +INSERT { + GRAPH { + + ?dctPublisher a dct:Agent ; + foaf:name ?dctPublisherName ; + foaf:page ?dctPublisherPage ; + . + + ?dctCreator a dct:Agent ; + foaf:name ?dctCreatorName + . + + ?dctPublisherRdf a dct:Agent ; + foaf:name ?dctPublisherNameRdf ; + foaf:page ?dctPublisherPageRdf ; + . + + ?dctCreatorRdf a dct:Agent ; + foaf:name ?dctCreatorNameRdf + . + + ### Version Level (Complete) + ?versionUri + rdf:type dctypes:Dataset ; # MUST + + ### General informations + dct:title ?dctTitleVersion ; + dct:alternative ?dctAlternative ; + dct:description ?dctDescription ; + + + dct:created ?dctCreated; + dct:creator ?dctCreator ; + dct:publisher ?dctPublisher ; + + ### Additional dates and actors + pav:createdOn ?pavCreatedOn ; + pav:authoredOn ?pavAuthoredOn; + pav:curatedOn ?pavCuratedOn ; + dct:contributor ?dctContributor ; + pav:createdBy ?pavCreatedBy ; + pav:authoredBy ?pavAuthoredBy ; + pav:curatedBy ?pavCuratedBy ; + dct:issued ?dctIssued ; + + foaf:page ?foafPage ; + schemaorg:logo ?schemaorgLogo ; + + dct:license ?dctLicense ; + dct:rights ?dctRights ; + + dct:language ?dctLanguage ; + dcat:theme ?dcatTheme ; #chemical + dcat:keyword ?dcatKeyword ; + void:vocabulary ?voidVocabulary ; + dct:conformsTo ?dctConformsTo ; + dct:references ?dctReferences ; + + rdfs:seeAlso ?rdfsSeeAlso ; + cito:citesAsAuthority ?citoCitesAsAuthority ; + dct:hasPart ?dctHasPart ; + + ### Identifiers + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix ; + + ### Provenance and Change + pav:version ?pavVersion ; + dct:isVersionOf ?summaryUri ; + pav:previousVersion ?pavPreviousVersion ; + dct:source ?dctSource ; + #pav:retrievedFrom ?dctSource ; + #prov:wasDerivedFrom ?dctSource ; + + #Availability/Distributions + dcat:distribution ?distributionRdfUri, ?distributionSourceUri ; + dcat:accessURL ?dcatAccessURL ; + dcat:landingPage ?dcatLandingPage + . + + + ### Distribution (non-RDF) description (Complete) + ?distributionSourceUri + a dctypes:Dataset, dcat:Distribution ; + ### General informations + dct:title ?sourceDistributionTitle ; + dct:alternative ?dctAlternative ; + dct:description ?dctDescription ; + + dct:created ?dctCreated ; + dct:creator ?dctCreator ; + dct:publisher ?dctPublisher ; + + ### Additional dates and actors + pav:createdOn ?pavCreatedOn ; + pav:authoredOn ?pavAuthoredOn ; + pav:curatedOn ?pavCuratedOn ; + dct:contributor ?dctContributor ; + pav:createdBy ?pavCreatedBy ; + pav:authoredBy ?pavAuthoredBy ; + pav:curatedBy ?pavCuratedBy ; + dct:issued ?dctIssued ; + + foaf:page ?foafPage ; + schemaorg:logo ?schemaorgLogo ; + + dct:license ?dctLicense ; + dct:rights ?dctRights ; + + dct:language ?dctLanguage ; + dcat:theme ?dcatTheme ; #chemical + dcat:keyword ?dcatKeyword ; + + dct:conformsTo ?dctConformsTo ; + dct:references ?dctReferences ; + + rdfs:seeAlso ?rdfsSeeAlso ; + cito:citesAsAuthority ?citoCitesAsAuthority ; + dct:hasPart ?dctHasPart ; + + ### Identifiers + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix ; + idot:identifierPattern ?idotIdentifierPatternSource ; + idot:accessPattern ?idotAccessPatternSource ; + idot:exampleIdentifier ?idotExampleIdentifier ; + + ### Provenance and Change + pav:version ?pavVersion ; + pav:previousVersion ?pavPreviousVersion ; + dct:source ?dctSource ; + #pav:retrievedFrom ?dctSource ; + #prov:wasDerivedFrom ?dctSource ; + pav:createdWith ?pavCreatedWith ; + + #Availability/Distributions + dct:format ?dctFormatSource ; + dcat:accessURL ?dcatAccessURLSource ; + dcat:landingPage ?dcatLandingPageSource ; + dcat:downloadURL ?dcatDownloadURLSource ; + dcat:byteSize ?dcatByteSize + . + + ### RDF Distribution description (Complete) + ?distributionRdfUri + a dctypes:Dataset, dcat:Distribution, void:Dataset ; + ### General informations + dct:title ?rdfDistributionTitle ; + dct:alternative ?dctAlternative ; + dct:description ?dctDescription ; + + dct:created ?dctCreatedRdf ; + dct:creator ?dctCreatorRdf ; + dct:publisher ?dctPublisherRdf ; + + ### Additional dates and actors + pav:createdOn ?pavCreatedOnRdf ; + pav:authoredOn ?pavAuthoredOnRdf; + pav:curatedOn ?pavCuratedOnRdf ; + dct:contributor ?dctContributorRdf ; + pav:createdBy ?pavCreatedByRdf ; + pav:authoredBy ?pavAuthoredByRdf ; + pav:curatedBy ?pavCuratedByRdf ; + dct:issued ?dctIssuedRdf ; + + foaf:page ?foafPage ; + schemaorg:logo ?schemaorgLogo ; + + dct:license ?dctLicense ; + dct:rights ?dctRights ; + + dct:language ?dctLanguage ; + dcat:theme ?dcatTheme ; #chemical + dcat:keyword ?dcatKeyword ; + + dct:conformsTo ?dctConformsTo ; + dct:references ?dctReferences ; + + rdfs:seeAlso ?rdfsSeeAlso ; + cito:citesAsAuthority ?citoCitesAsAuthority ; + void:subset ?voidSubset ; + + ### Identifiers + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix ; + idot:identifierPattern ?idotIdentifierPatternRdf ; + idot:accessPattern ?idotAccessPatternRdf ; + idot:exampleIdentifier ?idotExampleIdentifier ; + void:exampleResource ?voidExampleResourceRdf ; + + ### Provenance and Change + sio:has-data-item ?sioHasDataItem ; + pav:version ?pavVersionRdf ; + pav:previousVersion ?pavPreviousVersionRdf ; + dct:source ?dctSource ; + #pav:retrievedFrom ?dctSource ; + #prov:wasDerivedFrom ?dctSource ; + pav:createdWith ?pavCreatedWithRdf ; + + #Availability/Distributions + dct:format ?dctFormatRdf ; + dcat:accessURL ?dcatAccessURL ; + dcat:landingPage ?dcatLandingPageRdf ; + dcat:downloadURL ?dcatDownloadURLRdf ; + void:dataDump ?voidDataDump + . + + } +} +WHERE +{ + BIND( AS ?summaryUri) # user input. Careful, for drugbank ido uses it as void:uriSpace for a dcat:CatalogRecord + BIND("1.0"^^xsd:string AS ?pavVersion) # Increment it from the latest version? Or user input + BIND("1.0"^^xsd:string AS ?pavVersionRdf) # Increment it from the latest version? Or user input + + # Define the graph (A landing page, feed, SPARQL endpoint or other type of resource that gives access to the distribution of the dataset) + BIND(iri("https://w3id.org/data2services/graph/biolink/pathwaycommons") AS ?dcatAccessURL) # May. uri + + OPTIONAL { + ?summaryUri dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:license ?dctLicense ; + dct:publisher ?dctPublisher ; + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix ; + dcat:accessURL ?dcatAccessURL . + } + + # Needs to be at the beginning + BIND(iri(concat(str(?summaryUri), "version#", str(?pavVersion))) AS ?versionUri) + BIND(iri(concat(str(?summaryUri), "distribution/source#", str(?pavVersion))) AS ?distributionSourceUri) + BIND(iri(concat(str(?summaryUri), "distribution/rdf#", str(?pavVersionRdf))) AS ?distributionRdfUri) + + + ##### User input + + ############## + #### MUST #### + ############## + + + # Use https://orcid.org/ for researchers when possible or generate a new agent URI (like here) + #BIND("DrugBank" AS ?dctPublisherName) # Optional if external URI, to store publisher name in our graph if the URI already resolves + #BIND( AS ?dctPublisherPage) # Optional, to store publisher info in our graph if the URI already resolves + #BIND(iri(concat("https://w3id.org/data2services/agent/", md5(?dctPublisherName))) AS ?dctPublisher) # Get from summary. But let the possibility to redefine it for a dataset + + #BIND(iri("http://creativecommons.org/licenses/by-sa/3.0/") AS ?dctLicense) # Get from summary. But let the possibility to redefine it for a dataset + + + ## Source Distribution + BIND(concat(?versionTitle, " Database Distribution") AS ?sourceDistributionTitle) + BIND("text/csv" AS ?dctFormatSource) + + ## RDF Distribution + BIND(concat(?versionTitle, " RDF Distribution") AS ?rdfDistributionTitle) + BIND(concat("Converted to BioLink RDF using data2services framework. ", ?description) AS ?rdfDistributionDescription) + VALUES (?dctFormatRdf) { ( ) ( "application/n-quads" ) ( "application/rdf+xml" ) ( "application/n3" ) ( "application/ld+json" ) ( "text/turtle" ) } + BIND("Institute of Data Science at Maastricht University" AS ?dctPublisherNameRdf) # Optional if external URI, to store publisher name in our graph if the URI already resolves + BIND( AS ?dctPublisherPageRdf) # Optional, to store publisher info in our graph if the URI already resolves + BIND(iri(concat("https://w3id.org/data2services/agent/", md5(?dctPublisherNameRdf))) AS ?dctPublisherRdf) + + BIND("Institute of Data Science at Maastricht University" AS ?dctCreatorNameRdf) # Optional if external URI, to store creator name in our graph if the URI already resolves + BIND(iri(concat("https://w3id.org/data2services/agent/", md5(?dctCreatorNameRdf))) AS ?dctCreatorRdf) + + + ############## + ### SHOULD ### + ############## + + BIND("2018-06-09"^^xsd:date AS ?dctIssued) # Same for version and source distribution + #BIND("2013-08"^^xsd:gYearMonth AS ?dctCreated) + #BIND(iri("http://www.ebi.ac.uk/chembl/") AS ?foafPage) + #BIND(iri("http://www.ebi.ac.uk/rdf/sites/ebi.ac.uk.rdf/files/resize/images/rdf/chembl_service_logo-146x48.gif") AS ?schemaorgLogo) + BIND( AS ?dctLanguage) + #BIND( AS ?pavPreviousVersion) + #BIND(:pubchem-bioassay-09-01-2014 AS ?dctSource) + + ## Source distribution + BIND( AS ?dcatDownloadURLSource) # user input + #BIND("1"^^xsd:string AS ?pavVersionSource) # user input + #BIND( AS ?pavPreviousVersion) + #BIND( AS ?pavCreatedWith ) + #BIND( AS ?dcatDownloadURLSource ) + #BIND("861443887"^^xsd:decimal AS ?dcatByteSize ) + + ## RDF distribution + BIND(now() AS ?dctIssuedRdf) + BIND( AS ?voidVocabulary) + #BIND( AS ?pavPreviousVersionRdf) + BIND( AS ?dcatLandingPageRdf) + BIND( AS ?pavCreatedWithRdf ) + BIND( AS ?dcatDownloadURLRdf) + BIND( AS ?voidDataDump ) + + + ############# + #### MAY #### + ############# + + BIND( AS ?dctConformsTo) # constant. uri + BIND("http://identifiers.org/reactome/R-HSA-177929"^^xsd:string AS ?idotExampleIdentifier) + + #BIND("Alternative label for dataset" AS ?dctAlternative) + #BIND("The data in ChEMBL is covered by the Creative Commons By Attribution." AS ?dctRights) + #BIND( AS ?dcatLandingPage) + + # Additional dates and actors. Same for version and RDF distribution + #BIND("2013-08"^^xsd:gYearMonth AS ?pavCreatedOn) + #BIND("2013-08"^^xsd:gYearMonth AS ?pavAuthoredOn) + #BIND("2013-08"^^xsd:gYearMonth AS ?pavCuratedOn) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?dctContributor) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavCreatedBy) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavIssuedBy) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavAuthoredBy) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavCuratedBy) + + ## Source + #BIND( AS ?dcatAccessURLSource) + #BIND( AS ?dcatLandingPageSource) + + #BIND(ncit:C48807 AS ?dcatTheme) # uri. Example is chemical + #VALUES (?dcatKeyword) { ( "assay" ) ( "chemical" ) } # array + #BIND(iri("http://dx.doi.org/10.1093/bioinformatics/btt765") AS ?dctReferences) # uri + #BIND(iri("http://en.wikipedia.org/wiki/ChEMBL") AS ?rdfsSeeAlso) # uri + #BIND(iri("http://nar.oxfordjournals.org/content/40/D1/D1100") AS ?citoCitesAsAuthority) # uri + #VALUES (?dctHasPart) { ( :chembl17_rdf_molecule_dataset ) ( :chembl17_rdf_target_dataset ) } # uri array of distributions + + #BIND("CHEMBL\\d+"^^xsd:string AS ?idotIdentifierPatternSource) + #VALUES (?idotAccessPatternSource) { ( "http://bio2rdf.org/chembl ) ( "http://identifiers.org/chembl.compound/" ) } # array + + ## RDF distribution + BIND( AS ?voidExampleResourceRdf) # TODO: automate + BIND( AS ?sioHasDataItem) + #VALUES (?voidSubset) { ( :chembl17_rdf_molecule_dataset ) ( :chembl17_rdf_target_dataset ) } # uri array of distributions + #BIND("CHEMBL\\d+"^^xsd:string AS ?idotIdentifierPatternRdf) + #VALUES (?idotAccessPatternRdf) { ( "http://bio2rdf.org/chembl ) ( "http://identifiers.org/chembl.compound/" ) } # array + + # Additional dates and actors + #BIND("2013-08"^^xsd:gYearMonth AS ?pavCreatedOnRdf) + #BIND("2013-08"^^xsd:gYearMonth AS ?pavAuthoredOnRdf) + #BIND("2013-08"^^xsd:gYearMonth AS ?pavCuratedOnRdf) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?dctContributorRdf) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavCreatedByRdf) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavIssuedByRdf) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavAuthoredByRdf) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavCuratedByRdf) + + # TODO: Automate those + +} + diff --git a/archived-datasets/imported-biopax-pathwaycommons/OLD_insert_biopax_interaction_BiochemicalReaction.rq.bck b/archived-datasets/imported-biopax-pathwaycommons/OLD_insert_biopax_interaction_BiochemicalReaction.rq.bck new file mode 100644 index 0000000..8615288 --- /dev/null +++ b/archived-datasets/imported-biopax-pathwaycommons/OLD_insert_biopax_interaction_BiochemicalReaction.rq.bck @@ -0,0 +1,43 @@ +PREFIX d2sgeneric: +PREFIX d2smodel: +PREFIX rdfs: +PREFIX owl: +PREFIX dc: +PREFIX dct: +PREFIX bl: +PREFIX w3idvocab: +PREFIX oban: +PREFIX wp: +INSERT +{ + GRAPH { + + # https://graphdb.dumontierlab.com/resource?uri=http:%2F%2Fidentifiers.org%2Freactome%2FR-HSA-139908 + + # left (same for right): The participants on the left side of the conversion interaction. Since conversion interactions may proceed in either + # the left-to-right or right-to-left direction, occupants of the left property may be either reactants or products + + ?directedInteraction a bl:GeneToThingAssociation ; # GeneProduct/Metabolite to GeneProduct association + bl:gene_to_thing_association_subject ?source ; # GeneProduct or Metabolite (bl:ChemicalSubstance) + bl:relation bl:decreases_activity_of ; + bl:gene_to_thing_association_object ?target ; # GeneProduct (or Interaction?) + bl:publications ?citation ; + bl:part_of ?isPartOf . # Interaction in this pathway + + } +} +WHERE { + SERVICE { + GRAPH { + + # Inhibition: A process in which one biological entity restrains, blocks, or suppresses another biological entity or interaction + + ?directedInteraction a wp:Inhibition ; + wp:source ?source ; + wp:target ?target ; + dct:isPartOf ?isPartOf ; + dct:bibliographicCitation ?citation . + +} +} +} \ No newline at end of file diff --git a/archived-datasets/imported-biopax-pathwaycommons/OLD_insert_biopax_interaction_Catalysis.rq.bck b/archived-datasets/imported-biopax-pathwaycommons/OLD_insert_biopax_interaction_Catalysis.rq.bck new file mode 100644 index 0000000..633484e --- /dev/null +++ b/archived-datasets/imported-biopax-pathwaycommons/OLD_insert_biopax_interaction_Catalysis.rq.bck @@ -0,0 +1,52 @@ +PREFIX d2sgeneric: +PREFIX d2smodel: +PREFIX rdfs: +PREFIX owl: +PREFIX dc: +PREFIX dct: +PREFIX bl: +PREFIX w3idvocab: +PREFIX oban: +PREFIX wp: +INSERT +{ + GRAPH { + + # https://graphdb.dumontierlab.com/resource?uri=http:%2F%2Fpathwaycommons.org%2Fpc2%2F%23Catalysis_016e8816ce51adda02fbc1a77c9f2e63 + + ?directedInteraction a bl:GeneToThingAssociation ; # GeneProduct to Interaction association + bl:gene_to_thing_association_subject ?source ; # GeneProduct + bl:relation bl:increases_activity_of ; # or increases_response_to + bl:gene_to_thing_association_object ?target ; # Interaction + bl:publications ?citation ; + bl:part_of ?isPartOf . # Interaction in this pathway + + } +} +WHERE { + SERVICE { + GRAPH { + + # Catalysis: A process where a chemical reaction is enhanced by the action of a catalyst. + + ?catalysisUri a bp:Catalysis ; + bp:controlled ?controlled ; + bp:catalysisDirection ?catalysisDirection . + #bp:pathwayOrder ?pathwayOrder . # order of the components in the pathway (bad uri) + + OPTIONAL { + ?controlled bp:entityReference ?controlledUri . # TODO" hard to retrieve the ids for all different cases (chemicalReaction, complex, protein, transport) + } + + + + + ?directedInteraction a wp:Catalysis ; + wp:source ?source ; + wp:target ?target ; + dct:isPartOf ?isPartOf ; + dct:bibliographicCitation ?citation . + +} +} +} \ No newline at end of file diff --git a/archived-datasets/imported-biopax-pathwaycommons/OLD_insert_biopax_interaction_MolecularInteraction.rq.bck b/archived-datasets/imported-biopax-pathwaycommons/OLD_insert_biopax_interaction_MolecularInteraction.rq.bck new file mode 100644 index 0000000..b85e922 --- /dev/null +++ b/archived-datasets/imported-biopax-pathwaycommons/OLD_insert_biopax_interaction_MolecularInteraction.rq.bck @@ -0,0 +1,97 @@ +PREFIX d2sgeneric: +PREFIX d2smodel: +PREFIX rdfs: +PREFIX owl: +PREFIX dc: +PREFIX dct: +PREFIX bl: +PREFIX w3idvocab: +PREFIX oban: +PREFIX wp: +PREFIX bp: + +INSERT +{ + GRAPH { + + # A physical entity consisting of a sequence of amino acids; a protein monomer; a single polypeptide chain. + # Example: The epidermal growth factor receptor (EGFR) protein. + + # https://graphdb.dumontierlab.com/resource?uri=http:%2F%2Fidentifiers.org%2Freactome%2FR-HSA-109704 + # bp:pathwayComponent, bp:organism, bp:xref (for pubmed and shitty pc) + + ?interactionUri a bl:Interaction ; + # link using https://biolink.github.io/biolink-model/docs/AnatomicalEntityToAnatomicalEntityPartOfAssociation.html ? + bl:name ?displayName ; + bl:description ?comment ; + bl:subject ?participantId ; + bl:object ?participantId ; # TODO + bl:in_taxon ?pathwayOrganism ; # or part_of? + bl:has_evidence ?xrefPublication ; + bl:has_evidence ?evidenceUri . + #bl:publications ?pathwayReferences . + + ?pathwayComponent bl:part_of ?pathwayUri . # TODO: should we really use part_of? What about the pathwayOrder? + ?pathwayOrganism a bl:OrganismTaxon . + } +} +WHERE { + SERVICE { + GRAPH { + ?interactionUri a bp:MolecularInteraction . + #bp:pathwayOrder ?pathwayOrder . # order of the components in the pathway (bad uri) + + OPTIONAL { + ?pathwayUri bp:participant [ bp:entityReference ?participantId ] . # other pathways + } OPTIONAL { + ?pathwayUri bp:organism ?pathwayOrganism ; + } OPTIONAL { + ?pathwayUri bp:comment ?comment . + } OPTIONAL { + ?pathwayUri bp:displayName ?displayName . + } OPTIONAL { + ?pathwayUri bp:evidence [ bp:xref ?evidenceUri ] . + ?evidenceUri a bp:PublicationXref . # only Pubmed identifiers.org + } OPTIONAL { + ?pathwayUri bp:xref ?xrefPublication . + ?xrefPublication a bp:PublicationXref . # only Pubmed identifiers.org + } + } + } +} + + + + + + # https://graphdb.dumontierlab.com/resource?uri=http:%2F%2Fpathwaycommons.org%2Fpc2%2F%23MolecularInteraction_00f013c9-ad89-45d7-abac-470dae2c7f94__IM-17442-7_2579392_ + # It has bp:participant, bp:evidence + + ?directedInteraction a bl:ChemicalToThingAssociation ; # Chemical causing molecular modification (conversion) to another Chemical + bl:chemical_to_thing_association_subject ?source ; + bl:relation bl:disrupts ; + bl:chemical_to_thing_association_object ?target ; + bl:publications ?citation ; + bl:part_of ?isPartOf . # Interaction in this pathway + } +} +WHERE { + SERVICE { + GRAPH { + + # Binding: A binding interaction between two physical entities resulting in the formation of an explicit complex that is reversible without an external factor (e.g. protein complexes). + # ComplexBinding: A binding interaction that specifically leads to the formation of a complex. + # Multiple wp:participants. So we don't take at the moment + + # Conversion: A process in which a biological entity gets converted into another entity. This could be a metabolic conversion where compound gets chemical modified. + + ?directedInteraction a ?interactionType ; + wp:source ?source ; + wp:target ?target ; # Interacts_with http://purl.obolibrary.org/obo/RO_0002434 + dct:bibliographicCitation ?citation ; + dct:isPartOf ?isPartOf . + + #FILTER(?interactionType IN (wp:Conversion , wp:ComplexBinding , wp:Binding )) +} +} +} \ No newline at end of file diff --git a/archived-datasets/imported-biopax-pathwaycommons/OLD_insert_wikipathways_Complex.rq.bck b/archived-datasets/imported-biopax-pathwaycommons/OLD_insert_wikipathways_Complex.rq.bck new file mode 100644 index 0000000..167eef9 --- /dev/null +++ b/archived-datasets/imported-biopax-pathwaycommons/OLD_insert_wikipathways_Complex.rq.bck @@ -0,0 +1,60 @@ +PREFIX d2sgeneric: +PREFIX d2smodel: +PREFIX rdfs: +PREFIX owl: +PREFIX dc: +PREFIX dct: +PREFIX bl: +PREFIX w3idvocab: +PREFIX oban: +PREFIX wp: + +# Don't stop processing. But if used as select * it resolves in seconds. So the insert should work +INSERT +{ + GRAPH { + ?dataNode a bl:MacromolecularComplex ; + bl:id ?id ; + bl:name ?label ; + bl:part_of ?isPartOf ; + bl:systematic_synonym ?xrefHgnc ; + bl:same_as ?xrefUniprot ; + bl:same_as ?xrefNcbigene ; + bl:same_as ?xrefChebi ; + bl:same_as ?xrefPubchem ; + bl:same_as ?xrefWikidata ; + bl:same_as ?xrefHmdb ; + bl:same_as ?xrefChemspider . + } +} +WHERE { + SERVICE { + GRAPH { + ?dataNode a wp:Complex ; + dc:identifier ?id ; + rdfs:label ?label . + + OPTIONAL { + ?dataNode dct:isPartOf ?isPartOf . + } OPTIONAL { + ?dataNode dct:bibliographicCitation ?citations . + } OPTIONAL { + ?dataNode wp:bdbUniprot ?xrefUniprot . + } OPTIONAL { + ?dataNode wp:bdbEntrezGene ?xrefNcbigene . + } OPTIONAL { + ?dataNode wp:bdbHgncSymbol ?xrefHgnc . + } OPTIONAL { + ?dataNode wp:bdbChEBI ?xrefChebi . + } OPTIONAL { + ?dataNode wp:bdbPubChem ?xrefPubchem . + } OPTIONAL { + ?dataNode wp:bdbWikidata ?xrefWikidata . + } OPTIONAL { + ?dataNode wp:bdbHmdb ?xrefHmdb . + } OPTIONAL { + ?dataNode wp:bdbChemspider ?xrefChemspider . + } + } + } +} \ No newline at end of file diff --git a/archived-datasets/imported-biopax-pathwaycommons/OLD_insert_wikipathways_GeneProduct.rq.bck b/archived-datasets/imported-biopax-pathwaycommons/OLD_insert_wikipathways_GeneProduct.rq.bck new file mode 100644 index 0000000..d07d8bb --- /dev/null +++ b/archived-datasets/imported-biopax-pathwaycommons/OLD_insert_wikipathways_GeneProduct.rq.bck @@ -0,0 +1,69 @@ +PREFIX d2sgeneric: +PREFIX d2smodel: +PREFIX rdfs: +PREFIX owl: +PREFIX dc: +PREFIX dct: +PREFIX bl: +PREFIX w3idvocab: +PREFIX oban: +PREFIX wp: + +# Don't stop processing. But if used as select * it resolves in seconds. So the insert should work +INSERT +{ + GRAPH { + ?dataNode a bl:GeneProduct ; + bl:id ?id ; + bl:name ?label ; + bl:part_of ?isPartOf ; + bl:systematic_synonym ?xrefHgnc ; + bl:same_as ?xrefUniprot ; + bl:same_as ?xrefNcbigene ; + bl:same_as ?xrefChebi ; + bl:same_as ?xrefPubchem ; + bl:same_as ?xrefWikidata ; + bl:same_as ?xrefHmdb ; + bl:same_as ?xrefChemspider . + } +} +WHERE { + SERVICE { + GRAPH { + ?dataNode a wp:GeneProduct ; + dc:identifier ?id ; + rdfs:label ?label . + + OPTIONAL { + ?dataNode dct:isPartOf ?isPartOf . + } OPTIONAL { + ?dataNode dct:bibliographicCitation ?citations . + } OPTIONAL { + ?dataNode wp:bdbUniprot ?xrefUniprot . + } OPTIONAL { + ?dataNode wp:bdbEntrezGene ?xrefNcbigene . + } OPTIONAL { + ?dataNode wp:bdbHgncSymbol ?xrefHgnc . + } OPTIONAL { + ?dataNode wp:bdbChEBI ?xrefChebi . + } OPTIONAL { + ?dataNode wp:bdbPubChem ?xrefPubchem . + } OPTIONAL { + ?dataNode wp:bdbWikidata ?xrefWikidata . + } OPTIONAL { + ?dataNode wp:bdbHmdb ?xrefHmdb . + } OPTIONAL { + ?dataNode wp:bdbChemspider ?xrefChemspider . + } + + VALUES (?inputNodeType ?outputNodeType) { + ( wp:GeneProduct bl:geneProduct ) + ( wp:Protein bl:Protein ) + ( wp:Metabolite bl:ChemicalSubstance ) # Not true Metabolite + ( wp:Rna bl:Transcript ) + ( wp:Complex bl:MacromolecularComplex ) + (UNDEF bl:MolecularEntity ) + } + } + } +} \ No newline at end of file diff --git a/archived-datasets/imported-biopax-pathwaycommons/OLD_insert_wikipathways_Metabolite.rq.bck b/archived-datasets/imported-biopax-pathwaycommons/OLD_insert_wikipathways_Metabolite.rq.bck new file mode 100644 index 0000000..23a1bef --- /dev/null +++ b/archived-datasets/imported-biopax-pathwaycommons/OLD_insert_wikipathways_Metabolite.rq.bck @@ -0,0 +1,61 @@ +PREFIX d2sgeneric: +PREFIX d2smodel: +PREFIX rdfs: +PREFIX owl: +PREFIX dc: +PREFIX dct: +PREFIX bl: +PREFIX w3idvocab: +PREFIX oban: +PREFIX wp: + +# Don't stop processing. But if used as select * it resolves in seconds. So the insert should work +INSERT +{ + GRAPH { + ?dataNode a bl:ChemicalSubstance ; + bl:id ?id ; + bl:name ?label ; + bl:part_of ?isPartOf ; + bl:systematic_synonym ?xrefHgnc ; + bl:same_as ?xrefUniprot ; + bl:same_as ?xrefNcbigene ; + bl:same_as ?xrefChebi ; + bl:same_as ?xrefPubchem ; + bl:same_as ?xrefWikidata ; + bl:same_as ?xrefHmdb ; + bl:same_as ?xrefChemspider . + } +} +WHERE { + SERVICE { + GRAPH { + ?dataNode a wp:Metabolite ; + dc:identifier ?id ; + rdfs:label ?label . + + OPTIONAL { + ?dataNode dct:isPartOf ?isPartOf . + } OPTIONAL { + ?dataNode dct:bibliographicCitation ?citations . + } OPTIONAL { + ?dataNode wp:bdbUniprot ?xrefUniprot . + } OPTIONAL { + ?dataNode wp:bdbEntrezGene ?xrefNcbigene . + } OPTIONAL { + ?dataNode wp:bdbHgncSymbol ?xrefHgnc . + } OPTIONAL { + ?dataNode wp:bdbChEBI ?xrefChebi . + } OPTIONAL { + ?dataNode wp:bdbPubChem ?xrefPubchem . + } OPTIONAL { + ?dataNode wp:bdbWikidata ?xrefWikidata . + } OPTIONAL { + ?dataNode wp:bdbHmdb ?xrefHmdb . + } OPTIONAL { + ?dataNode wp:bdbChemspider ?xrefChemspider . + } + + } + } +} \ No newline at end of file diff --git a/archived-datasets/imported-biopax-pathwaycommons/OLD_insert_wikipathways_Rna.rq.bck b/archived-datasets/imported-biopax-pathwaycommons/OLD_insert_wikipathways_Rna.rq.bck new file mode 100644 index 0000000..2c0a123 --- /dev/null +++ b/archived-datasets/imported-biopax-pathwaycommons/OLD_insert_wikipathways_Rna.rq.bck @@ -0,0 +1,60 @@ +PREFIX d2sgeneric: +PREFIX d2smodel: +PREFIX rdfs: +PREFIX owl: +PREFIX dc: +PREFIX dct: +PREFIX bl: +PREFIX w3idvocab: +PREFIX oban: +PREFIX wp: + +# Don't stop processing. But if used as select * it resolves in seconds. So the insert should work +INSERT +{ + GRAPH { + ?dataNode a bl:Transcript ; + bl:id ?id ; + bl:name ?label ; + bl:part_of ?isPartOf ; + bl:systematic_synonym ?xrefHgnc ; + bl:same_as ?xrefUniprot ; + bl:same_as ?xrefNcbigene ; + bl:same_as ?xrefChebi ; + bl:same_as ?xrefPubchem ; + bl:same_as ?xrefWikidata ; + bl:same_as ?xrefHmdb ; + bl:same_as ?xrefChemspider . + } +} +WHERE { + SERVICE { + GRAPH { + ?dataNode a wp:Rna ; + dc:identifier ?id ; + rdfs:label ?label . + + OPTIONAL { + ?dataNode dct:isPartOf ?isPartOf . + } OPTIONAL { + ?dataNode dct:bibliographicCitation ?citations . + } OPTIONAL { + ?dataNode wp:bdbUniprot ?xrefUniprot . + } OPTIONAL { + ?dataNode wp:bdbEntrezGene ?xrefNcbigene . + } OPTIONAL { + ?dataNode wp:bdbHgncSymbol ?xrefHgnc . + } OPTIONAL { + ?dataNode wp:bdbChEBI ?xrefChebi . + } OPTIONAL { + ?dataNode wp:bdbPubChem ?xrefPubchem . + } OPTIONAL { + ?dataNode wp:bdbWikidata ?xrefWikidata . + } OPTIONAL { + ?dataNode wp:bdbHmdb ?xrefHmdb . + } OPTIONAL { + ?dataNode wp:bdbChemspider ?xrefChemspider . + } + } + } +} \ No newline at end of file diff --git a/archived-datasets/imported-biopax-pathwaycommons/OLD_insert_wikipathways_interaction_Stimulation.rq.bck b/archived-datasets/imported-biopax-pathwaycommons/OLD_insert_wikipathways_interaction_Stimulation.rq.bck new file mode 100644 index 0000000..11d2071 --- /dev/null +++ b/archived-datasets/imported-biopax-pathwaycommons/OLD_insert_wikipathways_interaction_Stimulation.rq.bck @@ -0,0 +1,39 @@ +PREFIX d2sgeneric: +PREFIX d2smodel: +PREFIX rdfs: +PREFIX owl: +PREFIX dc: +PREFIX dct: +PREFIX bl: +PREFIX w3idvocab: +PREFIX oban: +PREFIX wp: +INSERT +{ + GRAPH { + # Use https://biolink.github.io/biolink-model/docs/affects.html + + ?directedInteraction a bl:GeneToThingAssociation ; # Gene to Interaction (process) association + bl:gene_to_gene_association_subject ?source ; # GeneProduct + bl:pairwise_gene_to_gene_interaction_relation bl:increases_activity_of ; + bl:gene_to_gene_association_object ?target ; # Interaction + bl:publications ?citation ; + bl:part_of ?isPartOf . # Interaction in this pathway + + } +} +WHERE { + SERVICE { + GRAPH { + + # Stimulation: An interaction in which the source entity enhances the raate or extent of another reaction or entity + + ?directedInteraction a wp:Stimulation ; + wp:source ?source ; + wp:target ?target ; + dct:isPartOf ?isPartOf ; + dct:bibliographicCitation ?citation . + +} +} +} \ No newline at end of file diff --git a/archived-datasets/imported-biopax-pathwaycommons/OLD_insert_wikipathways_interaction_TranscriptionTranslation.rq.bck b/archived-datasets/imported-biopax-pathwaycommons/OLD_insert_wikipathways_interaction_TranscriptionTranslation.rq.bck new file mode 100644 index 0000000..96b0a20 --- /dev/null +++ b/archived-datasets/imported-biopax-pathwaycommons/OLD_insert_wikipathways_interaction_TranscriptionTranslation.rq.bck @@ -0,0 +1,41 @@ +PREFIX d2sgeneric: +PREFIX d2smodel: +PREFIX rdfs: +PREFIX owl: +PREFIX dc: +PREFIX dct: +PREFIX bl: +PREFIX w3idvocab: +PREFIX oban: +PREFIX wp: +INSERT +{ + GRAPH { + + ?directedInteraction a bl:GeneToGeneAssociation ; # GeneProduct to Interaction association + bl:gene_to_gene_association_subject ?source ; # GeneProduct + bl:relation bl:affects_expression_of ; + bl:gene_to_gene_association_object ?target ; # GeneProduct + bl:part_of ?isPartOf ; # Interaction in this pathway + bl:publications ?citation . + + } +} +WHERE { + SERVICE { + GRAPH { + + # TranscriptionTranslation: An interaction in which the source entity regulates or influences in the transcription or translation of a target entity. Also referred to as a Template Reaction. + + ?directedInteraction a wp:TranscriptionTranslation ; + wp:source ?source ; + wp:target ?target ; + dct:isPartOf ?isPartOf . + + OPTIONAL { + ?directedInteraction dct:bibliographicCitation ?citation . + } + +} +} +} \ No newline at end of file diff --git a/archived-datasets/imported-biopax-pathwaycommons/download.sh b/archived-datasets/imported-biopax-pathwaycommons/download.sh new file mode 100644 index 0000000..dc7a9c8 --- /dev/null +++ b/archived-datasets/imported-biopax-pathwaycommons/download.sh @@ -0,0 +1,3 @@ +wget http://www.pathwaycommons.org/archives/PC2/v10/PathwayCommons10.All.BIOPAX.owl.gz + +# Or use http://rdf.pathwaycommons.org/sparql/ \ No newline at end of file diff --git a/archived-datasets/imported-biopax-pathwaycommons/insert_biopax_PathwayStep.rq b/archived-datasets/imported-biopax-pathwaycommons/insert_biopax_PathwayStep.rq new file mode 100644 index 0000000..12f5fa1 --- /dev/null +++ b/archived-datasets/imported-biopax-pathwaycommons/insert_biopax_PathwayStep.rq @@ -0,0 +1,66 @@ +PREFIX bl: +PREFIX bp: + +INSERT +{ + GRAPH { + #?pathwayUri bl:precedes ?nextStepProcess . + + ?pathwayStep a bl:BiologicalProcess ; # TODO: Or bl:Association? Atm it is the same type as BiochemicalReaction... + bl:description ?comment ; + bl:has_participant ?stepProcess ; # e.g. BiochemicalReaction and Catalysis + bl:precedes ?nextPathwayStep ; + bl:part_of ?pathwayUri ; + bl:has_evidence ?xrefPublication ; + bl:has_evidence ?evidenceUri . + } +} +WHERE { + SERVICE { + GRAPH { + #GRAPH { + + ?pathwayUri a bp:Pathway ; + bp:dataSource . + ?pathwayUri bp:pathwayOrder ?pathwayStep . # Order of processes in pathways + #?pathwayStep a bp:PathwayStep . # Or use this? But can't filter dataSource + + # All properties + # bp:comment, bp:stepProcess, bp:nextStep, bp:stepConversion, bp:stepDirection, bp:evidence + + # A PathwayStep can have multiple stepProcess: bp:BiochemicalReaction and bo:Catalysis for example. And multiple nextSteps + # https://graphdb.dumontierlab.com/resource?uri=http:%2F%2Fpathwaycommons.org%2Fpc2%2F%23PathwayStep_096ee5f002fa354c8c00e45e09e8547b + # https://graphdb.dumontierlab.com/resource?uri=http:%2F%2Fpathwaycommons.org%2Fpc2%2F%23PathwayStep_ef1fb101b5a45d37c65550c3ea34dd86 + # In BioLink we need an entity that can combine an association/BiologicalProcess with a catalyser (which can be a BiochemicalReaction also) + # that can precedes multiple other steps. I can reuse the PathwayCommons pathwayStep URI + # Just an bl:Association with catalysis reaction as relation that produces entities? Or something like "upregulate the production of" + # Or a bl:BiologicalProcess ? + + # Can a PathwayStep be also a bl:Pathway but with a category? Or should it be an association? More like this, + # it should be an association included in a pathway in a certain order + # just a bl:part_of in the BiologicalProcess (formerly PathwayStep) should be good? + # And then we don't need to add information to point from the bl:Pathway to this pathwayStep + # the bl:Pathway just holds information about has_participant + + OPTIONAL { + ?pathwayStep bp:stepProcess ?stepProcess . + } OPTIONAL { + ?pathwayStep bp:nextStep ?nextPathwayStep . + } OPTIONAL { + # The central process that take place at this step of the biochemical pathway. + ?pathwayStep bp:stepConversion ?stepConversion . + } OPTIONAL { + # LEFT_TO_RIGHT or RIGHT_TO_LEFT + ?pathwayStep bp:stepDirection ?stepDirection . + } OPTIONAL { + ?pathwayStep bp:comment ?comment . + } OPTIONAL { + ?pathwayUri bp:evidence [ bp:xref ?evidenceUri ] . + ?evidenceUri a bp:PublicationXref . # only Pubmed identifiers.org + # xref can be unificationXref (identifier resolution) or publicationXref or relationshipXref + } + + #?nextPathwayStep bp:stepProcess ?nextStepProcess . + } + } +} diff --git a/archived-datasets/imported-biopax-pathwaycommons/insert_biopax_Pathways.rq b/archived-datasets/imported-biopax-pathwaycommons/insert_biopax_Pathways.rq new file mode 100644 index 0000000..bf64d3f --- /dev/null +++ b/archived-datasets/imported-biopax-pathwaycommons/insert_biopax_Pathways.rq @@ -0,0 +1,64 @@ +PREFIX bl: +PREFIX bp: + +INSERT +{ + GRAPH { + + # A physical entity consisting of a sequence of amino acids; a protein monomer; a single polypeptide chain. + # Example: The epidermal growth factor receptor (EGFR) protein. + + # https://graphdb.dumontierlab.com/resource?uri=http:%2F%2Fidentifiers.org%2Freactome%2FR-HSA-109704 + # bp:pathwayComponent, bp:organism, bp:xref (for pubmed and shitty pc) + + ?pathwayUri a bl:Pathway ; + # link using https://biolink.github.io/biolink-model/docs/AnatomicalEntityToAnatomicalEntityPartOfAssociation.html ? + bl:name ?displayName ; + bl:synonym ?standardName ; + bl:description ?comment ; + bl:in_taxon ?pathwayOrganism ; # or part_of? + bl:has_evidence ?xrefPublication ; + bl:has_evidence ?evidenceUri ; + bl:has_participant ?pathwayComponent . + #bl:publications ?pathwayReferences . + + #?pathwayComponent bl:part_of ?pathwayUri . # TODO: should we really use part_of? What about the pathwayOrder? + ?pathwayOrganism a bl:OrganismTaxon . + } +} +WHERE { + SERVICE { + GRAPH { + #GRAPH { + ?pathwayUri a bp:Pathway ; + bp:dataSource . + #bp:pathwayOrder ?pathwayOrder . # order of the components in the pathway (bad uri) + + OPTIONAL { + ?pathwayUri bp:pathwayComponent ?pathwayComponent . # other pathways or interactions + #} OPTIONAL { + # ?pathwayUri bp:controller ?pathwayController . # processes that modify the pathway. Not in reactome (in mirtar) + #} OPTIONAL { + # ?pathwayUri bp:controlled ?pathwayControlled . # processes modified by the pathway. Not in reactome (in mirtar) + } OPTIONAL { + ?pathwayUri bp:organism ?pathwayOrganism . + } OPTIONAL { + ?pathwayUri bp:comment ?comment . + } OPTIONAL { + ?pathwayUri bp:displayName ?displayName . + } OPTIONAL { + ?pathwayUri bp:standardName ?standardName . + #} OPTIONAL { + # Copyright related comment + # ?pathwayUri bp:availability ?availability . + } OPTIONAL { + ?pathwayUri bp:evidence [ bp:xref ?evidenceUri ] . + ?evidenceUri a bp:PublicationXref . # only Pubmed identifiers.org + # xref can be unificationXref (identifier resolution) or publicationXref or relationshipXref + } OPTIONAL { + ?pathwayUri bp:xref ?xrefPublication . + ?xrefPublication a bp:PublicationXref . # only Pubmed identifiers.org + } + } + } +} \ No newline at end of file diff --git a/archived-datasets/imported-biopax-pathwaycommons/insert_biopax_Protein.rq.bck b/archived-datasets/imported-biopax-pathwaycommons/insert_biopax_Protein.rq.bck new file mode 100644 index 0000000..7cebb78 --- /dev/null +++ b/archived-datasets/imported-biopax-pathwaycommons/insert_biopax_Protein.rq.bck @@ -0,0 +1,66 @@ +PREFIX d2sgeneric: +PREFIX d2smodel: +PREFIX rdfs: +PREFIX owl: +PREFIX dc: +PREFIX dct: +PREFIX bl: +PREFIX w3idvocab: +PREFIX oban: +PREFIX wp: +PREFIX bp: + +INSERT +{ + GRAPH { + + # A physical entity consisting of a sequence of amino acids; a protein monomer; a single polypeptide chain. + # Example: The epidermal growth factor receptor (EGFR) protein. + + ?uri a bl:Protein ; + bl:id ?proteinUri ; + bl:name ?displayName ; + bl:description ?comment ; + bl:has_evidence ?xrefPublication ; + bl:has_evidence ?evidenceUri . + } +} +WHERE { + SERVICE { + GRAPH { + + # WE NEED: + # Complex, DNA, Protein, RNA, SmallMolecule,DnaRegion, RnaRegion + # Gene + + ?proteinUri a bp:Protein ; + bp:entityReference ?uri . # Use it has URI. usually ido (uniprot, refseq, chebi) or http://pathwaycommons.org/pc2/#SmallMoleculeReference_5db71a6750411a9300c2ec710b0de52b + + # bp:dataSource . + #bp:feature 84054: bad id + #bp:availability 83477: a string with copyright info + #bp:standardName 21367: another label + #bp:memberPhysicalEntity: member of another protein. Use isPartOf? with entityReference + + OPTIONAL { + ?proteinUri bp:comment ?comment . + } OPTIONAL { + ?proteinUri bp:displayName ?displayName . + } OPTIONAL { + ?proteinUri bp:evidence [ bp:xref ?evidenceUri ] . + ?evidenceUri a bp:PublicationXref . # only Pubmed identifiers.org + } OPTIONAL { + ?proteinUri bp:xref ?xrefPublication . + ?xrefPublication a bp:PublicationXref . # only Pubmed identifiers.org + } OPTIONAL { + ?proteinUri bp:cellularLocation ?cellularLocation ; + # Bad URI. Use locates? http://pathwaycommons.org/pc2/#CellularLocationVocabulary_dc68fffeee0259e0d3bd7a3f6d0cc067 + } + + # NOT WORKING: FILTER(?uriType NOT IN ( , , )) + FILTER regex( str(?uri), "http:\\/\\/identifiers.org\\/" ) + # Don't take biopax references that don't have proper identifiers.org + + } + } +} \ No newline at end of file diff --git a/archived-datasets/imported-biopax-pathwaycommons/insert_biopax_interaction_BiochemicalReaction.rq b/archived-datasets/imported-biopax-pathwaycommons/insert_biopax_interaction_BiochemicalReaction.rq new file mode 100644 index 0000000..701e905 --- /dev/null +++ b/archived-datasets/imported-biopax-pathwaycommons/insert_biopax_interaction_BiochemicalReaction.rq @@ -0,0 +1,81 @@ +PREFIX bl: +PREFIX bp: + +INSERT +{ + GRAPH { + + # BiochemicalReaction + # Reactome: https://graphdb.dumontierlab.com/resource?uri=http:%2F%2Fidentifiers.org%2Freactome%2FR-HSA-6785732 + # https://graphdb.dumontierlab.com/resource?uri=http:%2F%2Fidentifiers.org%2Freactome%2FR-HSA-109278 + # https://graphdb.dumontierlab.com/resource?uri=http:%2F%2Fpathwaycommons.org%2Fpc2%2F%23BiochemicalReaction_48c61a65e060f872b394636f8a8524eb + + ?reactionUri a bl:BiologicalProcess ; # Or bl:ThingToThingAssociation ? + # http://purl.obolibrary.org/obo/NCBITaxon_9606 link using bl:AnatomicalEntityToAnatomicalEntityPartOfAssociation ? + bl:name ?displayName ; + bl:synonym ?synonym ; + bl:description ?comment ; + #bl:category ?category ; # BiochemicalReaction? + #bl:located_in ?eCNumberUri ; # Or use bl:GenomicSequenceLocalization ? + bl:has_input ?reactant ; + #bl:object ?product ; + #bl:relation bl:produces ; # should be 'is transformed into'? Directly use bl:produces atm + bl:produces ?product ; + bl:has_evidence ?xrefPublication ; + bl:has_evidence ?evidenceUri ; + bl:has_participant ?participant . + #bl:publications ?pathwayReferences . + } +} +WHERE { + SERVICE { + #GRAPH { # We need to use implicit graph for inference + #GRAPH { + ?reactionUri a bp:BiochemicalReaction ; + bp:dataSource . + + # interaction + # - conversion + # - BiochemicalReaction + # - control + # - catalysis + + OPTIONAL { + ?reactionUri bp:participant ?participant . # other pathways or interactions + } OPTIONAL { + ?reactionUri bp:eCNumber ?eCNumber . # e.g.: 2.7.10 identifiers.org/ec-code/3.1.3.5 + #BIND(iri(concat("https://identifiers.org/ec-code/", ?eCNumber)) AS ?eCNumberUri) + #} OPTIONAL { + # ?reactionUri bp:participantStoichiometry ?participantStoichiometry . + } OPTIONAL { + ?reactionUri bp:conversionDirection ?conversionDirection ; # LEFT_TO_RIGHT + bp:right ?right ; + bp:left ?left . + # Can be bp:Protein, bp:SmallMolecule, bp:Complex, bp:DnaRegion, bp:Rna, bp:PhysicalEntity, bp:Dna, bp:RnaRegion + BIND( if( ?conversionDirection = "RIGHT_TO_LEFT", + ?right , + ?left ) + AS ?reactant ) + BIND( if( ?conversionDirection = "RIGHT_TO_LEFT", + ?left , + ?right ) + AS ?product ) + # ?reactionUri bp:left ?left . # conversion goes from the left participant to the right participant + # ?reactionUri bp:right ?right . + } OPTIONAL { + ?reactionUri bp:comment ?comment . + } OPTIONAL { + ?reactionUri bp:displayName ?displayName . + } OPTIONAL { + ?reactionUri bp:name ?synonym . + } OPTIONAL { + ?reactionUri bp:evidence [ bp:xref ?evidenceUri ] . + ?evidenceUri a bp:PublicationXref . # only Pubmed identifiers.org + # xref can be unificationXref (identifier resolution) or publicationXref or relationshipXref + } OPTIONAL { + ?reactionUri bp:xref ?xrefPublication . + ?xrefPublication a bp:PublicationXref . # only Pubmed identifiers.org + } + #} + } +} diff --git a/archived-datasets/imported-biopax-pathwaycommons/insert_biopax_interaction_Catalysis.rq b/archived-datasets/imported-biopax-pathwaycommons/insert_biopax_interaction_Catalysis.rq new file mode 100644 index 0000000..32c1c15 --- /dev/null +++ b/archived-datasets/imported-biopax-pathwaycommons/insert_biopax_interaction_Catalysis.rq @@ -0,0 +1,80 @@ +PREFIX bl: +PREFIX bp: + +INSERT +{ + GRAPH { + + # Catalysis + # Reactome: https://graphdb.dumontierlab.com/resource?uri=http:%2F%2Fpathwaycommons.org%2Fpc2%2F%23Catalysis_11051ed8630c89e065916082669cc7ed + # https://graphdb.dumontierlab.com/resource?uri=http:%2F%2Fpathwaycommons.org%2Fpc2%2F%23Catalysis_008eb159ed298ed6ee3b5822b00a2ce6 + # bp:controller and bp:controlled + + ?reactionUri a bl:BiologicalProcess ; # Or bl:ThingToThingAssociation ? + # http://purl.obolibrary.org/obo/NCBITaxon_9606 link using bl:AnatomicalEntityToAnatomicalEntityPartOfAssociation ? + bl:name ?displayName ; + bl:synonym ?synonym ; + bl:description ?comment ; + #bl:category ?category ; # BiochemicalReaction? + bl:has_input ?reactant ; + #bl:object ?product ; + bl:relation bl:increases_activity_of ; + bl:produces ?product ; + bl:has_evidence ?xrefPublication ; + bl:has_evidence ?evidenceUri ; + bl:has_participant ?participant . + #bl:publications ?pathwayReferences . + } +} +WHERE { + SERVICE { + GRAPH { + #GRAPH { + ?reactionUri a bp:BiochemicalReaction ; + bp:dataSource . + + # All catalysis properties: + # bp:comment, bp:dataSource, bp:xref, bp:evidence, bp:controlled, bp:controller (subProperties of bp:participant) + # bp:controlType (only ACTIVATION), bp:catalysisDirection (LEFT_TO_RIGHT or RIGHT_TO_LEFT, but not for Reactome) + OPTIONAL { + ?reactionUri bp:comment ?comment . + } OPTIONAL { + ?reactionUri bp:displayName ?displayName . + } OPTIONAL { + ?reactionUri bp:name ?synonym . + + } OPTIONAL { + ?reactionUri bp:controlType ?controlType . + # some catalysis don't have controlType + # Otherwise it is always activation + } OPTIONAL { + #?reactionUri bp:participant ?participant . # other pathways or interactions + # Can be bp:Protein, bp:SmallMolecule, bp:Complex, bp:DnaRegion, bp:Rna, bp:PhysicalEntity, bp:Dna, bp:RnaRegion + ?reactionUri bp:controller ?controller . + } OPTIONAL { + # Other pathways or reactions + # Can be bp:BiochemicalReaction, bp:Conversion, bp:Degradation, bp:Transport, bp:ComplexAssembly, bp:TransportWithBiochemicalReaction + ?reactionUri bp:controlled ?controlled . + + } OPTIONAL { + ?reactionUri bp:catalysisDirection ?catalysisDirection ; # LEFT_TO_RIGHT + BIND( if( ?catalysisDirection = "RIGHT_TO_LEFT", + ?right , + ?left ) + AS ?reactant ) + BIND( if( ?catalysisDirection = "RIGHT_TO_LEFT", + ?left , + ?right ) + AS ?product ) + + } OPTIONAL { + ?reactionUri bp:evidence [ bp:xref ?evidenceUri ] . + ?evidenceUri a bp:PublicationXref . # only Pubmed identifiers.org + # xref can be unificationXref (identifier resolution) or publicationXref or relationshipXref + } OPTIONAL { + ?reactionUri bp:xref ?xrefPublication . + ?xrefPublication a bp:PublicationXref . # only Pubmed identifiers.org + } + } + } +} diff --git a/archived-datasets/imported-omim/00-insert-metadata-summary-omim.rq b/archived-datasets/imported-omim/00-insert-metadata-summary-omim.rq new file mode 100644 index 0000000..a8d3416 --- /dev/null +++ b/archived-datasets/imported-omim/00-insert-metadata-summary-omim.rq @@ -0,0 +1,117 @@ +#BASE +#PREFIX : +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: + + +PREFIX bl: +PREFIX dqv: +PREFIX hcls: +PREFIX d2sdata: + + +# Complete example at https://www.w3.org/TR/hcls-dataset/#appendix_1 + +INSERT { + GRAPH + { + ### Summary Level (Complete) + ?summaryUri + rdf:type dctypes:Dataset ; # MUST + + ### General informations + dct:title ?dctTitle ; + dct:alternative ?dctAlternative ; + dct:description ?dctDescription ; + dct:publisher ?dctPublisher ; + + foaf:page ?foafPage ; + schemaorg:logo ?schemaorgLogo ; + + dct:license ?dctLicense ; + dct:rights ?dctRights ; + + dcat:theme ?dcatTheme ; #chemical + dcat:keyword ?dcatKeyword ; + + rdfs:seeAlso ?rdfsSeeAlso ; + cito:citesAsAuthority ?citoCitesAsAuthority ; + dct:hasPart ?dctHasPart ; + + ### Identifiers + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix ; + + ### Provenance and Change + #pav:hasCurrentVersion ?pavHasCurrentVersion ; + dct:accrualPeriodicity ?dctAccrualPeriodicity ; + + ### Availability/Distributions + dcat:accessURL ?dcatAccessURL ; # May. Use this to define the graph (A landing page, feed, SPARQL endpoint or other type of resource that gives access to the distribution of the dataset) + void:sparqlEndpoint ?sparqlEndpoint # Should. Only in summary + . + + ?dctPublisher a dct:Agent ; + foaf:name ?dctPublisherName ; + foaf:page ?dctPublisherPage ; + . + } +} +WHERE +{ + ##### User input + + ### MUST + BIND( AS ?summaryUri) # user input + # Careful, ido uses it as void:uriSpace for a dcat:CatalogRecord + + BIND("Online Mendelian Inheritance in Man"@en AS ?dctTitle) # user input + BIND("An Online Catalog of Human Genes and Genetic Disorders."@en AS ?dctDescription) # user input + + # Use https://orcid.org/ for researchers when possible or generate a new agent URI (like here) + BIND("Johns Hopkins University" AS ?dctPublisherName) # Optional, to store publisher name in our graph if the URI already resolves + BIND( AS ?dctPublisherPage) # Optional, to store publisher info in our graph if the URI already resolves + BIND(iri(concat("https://w3id.org/d2s/agent/", md5(?dctPublisherName))) AS ?dctPublisher) + + BIND("omim" AS ?idotPreferredPrefix) # Usually a May but required for data2services since it used as source ID to generate the graph URI. + + BIND( AS ?voidSparqlEndpoint) # Usually a Should but required for data2services. + + + ### SHOULD + BIND( AS ?foafPage) + #BIND(iri("http://www.ebi.ac.uk/rdf/sites/ebi.ac.uk.rdf/files/resize/images/rdf/chembl_service_logo-146x48.gif") AS ?schemaorgLogo) + #BIND(freq:quarterly AS ?dctAccrualPeriodicity) # Use freq: + + + ### MAY + #BIND("Alternative label for dataset" AS ?dctAlternative) + #BIND(iri("http://creativecommons.org/licenses/by-sa/3.0/") AS ?dctLicense) # See https://www.genenames.org/about/ + #BIND("The data in ChEMBL is covered by the Creative Commons By Attribution." AS ?dctRights) + #BIND(ncit:C48807 AS ?dcatTheme) # uri. Example is chemical + #VALUES (?dcatKeyword) { ( "assay" ) ( "chemical" ) } # array + #BIND(iri("http://en.wikipedia.org/wiki/ChEMBL") AS ?rdfsSeeAlso) # uri + #BIND(iri("http://nar.oxfordjournals.org/content/40/D1/D1100") AS ?citoCitesAsAuthority) # uri + #VALUES (?dctHasPart) { ( :chembl17_rdf_molecule_dataset ) ( :chembl17_rdf_target_dataset ) } # uri array of distributions + #BIND("chembldb" AS ?idotAlternatePrefix) # string + + #BIND(iri("https://w3id.org/d2s/dataset/drugbank/version#1") AS ?pavHasCurrentVersion) # We will automatically generate it, atm only using isVersionOf in the version item +} \ No newline at end of file diff --git a/archived-datasets/imported-omim/01-insert-metadata-distribution-omim.rq b/archived-datasets/imported-omim/01-insert-metadata-distribution-omim.rq new file mode 100644 index 0000000..2582113 --- /dev/null +++ b/archived-datasets/imported-omim/01-insert-metadata-distribution-omim.rq @@ -0,0 +1,384 @@ +BASE +PREFIX : +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: +PREFIX bl: +PREFIX dqv: +PREFIX hcls: +PREFIX d2sdata: + + +# Complete example at https://www.w3.org/TR/hcls-dataset/#appendix_1 + +INSERT { + GRAPH { + + ?dctPublisher a dct:Agent ; + foaf:name ?dctPublisherName ; + foaf:page ?dctPublisherPage ; + . + + ?dctCreator a dct:Agent ; + foaf:name ?dctCreatorName + . + + ?dctPublisherRdf a dct:Agent ; + foaf:name ?dctPublisherNameRdf ; + foaf:page ?dctPublisherPageRdf ; + . + + ?dctCreatorRdf a dct:Agent ; + foaf:name ?dctCreatorNameRdf + . + + ### Version Level (Complete) + ?versionUri + rdf:type dctypes:Dataset ; # MUST + + ### General informations + dct:title ?dctTitleVersion ; + dct:alternative ?dctAlternative ; + dct:description ?dctDescription ; + + + dct:created ?dctCreated; + dct:creator ?dctCreator ; + dct:publisher ?dctPublisher ; + + ### Additional dates and actors + pav:createdOn ?pavCreatedOn ; + pav:authoredOn ?pavAuthoredOn; + pav:curatedOn ?pavCuratedOn ; + dct:contributor ?dctContributor ; + pav:createdBy ?pavCreatedBy ; + pav:authoredBy ?pavAuthoredBy ; + pav:curatedBy ?pavCuratedBy ; + dct:issued ?dctIssued ; + + foaf:page ?foafPage ; + schemaorg:logo ?schemaorgLogo ; + + dct:license ?dctLicense ; + dct:rights ?dctRights ; + + dct:language ?dctLanguage ; + dcat:theme ?dcatTheme ; #chemical + dcat:keyword ?dcatKeyword ; + void:vocabulary ?voidVocabulary ; + dct:conformsTo ?dctConformsTo ; + dct:references ?dctReferences ; + + rdfs:seeAlso ?rdfsSeeAlso ; + cito:citesAsAuthority ?citoCitesAsAuthority ; + dct:hasPart ?dctHasPart ; + + ### Identifiers + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix ; + + ### Provenance and Change + pav:version ?pavVersion ; + dct:isVersionOf ?summaryUri ; + pav:previousVersion ?pavPreviousVersion ; + dct:source ?dctSource ; + #pav:retrievedFrom ?dctSource ; + #prov:wasDerivedFrom ?dctSource ; + + #Availability/Distributions + dcat:distribution ?distributionRdfUri, ?distributionSourceUri ; + dcat:accessURL ?dcatAccessURL ; + dcat:landingPage ?dcatLandingPage + . + + + ### Distribution (non-RDF) description (Complete) + ?distributionSourceUri + a dctypes:Dataset, dcat:Distribution ; + ### General informations + dct:title ?sourceDistributionTitle ; + dct:alternative ?dctAlternative ; + dct:description ?dctDescription ; + + dct:created ?dctCreated ; + dct:creator ?dctCreator ; + dct:publisher ?dctPublisher ; + + ### Additional dates and actors + pav:createdOn ?pavCreatedOn ; + pav:authoredOn ?pavAuthoredOn ; + pav:curatedOn ?pavCuratedOn ; + dct:contributor ?dctContributor ; + pav:createdBy ?pavCreatedBy ; + pav:authoredBy ?pavAuthoredBy ; + pav:curatedBy ?pavCuratedBy ; + dct:issued ?dctIssued ; + + foaf:page ?foafPage ; + schemaorg:logo ?schemaorgLogo ; + + dct:license ?dctLicense ; + dct:rights ?dctRights ; + + dct:language ?dctLanguage ; + dcat:theme ?dcatTheme ; #chemical + dcat:keyword ?dcatKeyword ; + + dct:conformsTo ?dctConformsTo ; + dct:references ?dctReferences ; + + rdfs:seeAlso ?rdfsSeeAlso ; + cito:citesAsAuthority ?citoCitesAsAuthority ; + dct:hasPart ?dctHasPart ; + + ### Identifiers + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix ; + idot:identifierPattern ?idotIdentifierPatternSource ; + idot:accessPattern ?idotAccessPatternSource ; + idot:exampleIdentifier ?idotExampleIdentifier ; + + ### Provenance and Change + pav:version ?pavVersion ; + pav:previousVersion ?pavPreviousVersion ; + dct:source ?dctSource ; + #pav:retrievedFrom ?dctSource ; + #prov:wasDerivedFrom ?dctSource ; + pav:createdWith ?pavCreatedWith ; + + #Availability/Distributions + dct:format ?dctFormatSource ; + dcat:accessURL ?dcatAccessURLSource ; + dcat:landingPage ?dcatLandingPageSource ; + dcat:downloadURL ?dcatDownloadURLSource ; + dcat:byteSize ?dcatByteSize + . + + ### RDF Distribution description (Complete) + ?distributionRdfUri + a dctypes:Dataset, dcat:Distribution, void:Dataset ; + ### General informations + dct:title ?rdfDistributionTitle ; + dct:alternative ?dctAlternative ; + dct:description ?dctDescription ; + + dct:created ?dctCreatedRdf ; + dct:creator ?dctCreatorRdf ; + dct:publisher ?dctPublisherRdf ; + + ### Additional dates and actors + pav:createdOn ?pavCreatedOnRdf ; + pav:authoredOn ?pavAuthoredOnRdf; + pav:curatedOn ?pavCuratedOnRdf ; + dct:contributor ?dctContributorRdf ; + pav:createdBy ?pavCreatedByRdf ; + pav:authoredBy ?pavAuthoredByRdf ; + pav:curatedBy ?pavCuratedByRdf ; + dct:issued ?dctIssuedRdf ; + + foaf:page ?foafPage ; + schemaorg:logo ?schemaorgLogo ; + + dct:license ?dctLicense ; + dct:rights ?dctRights ; + + dct:language ?dctLanguage ; + dcat:theme ?dcatTheme ; #chemical + dcat:keyword ?dcatKeyword ; + + dct:conformsTo ?dctConformsTo ; + dct:references ?dctReferences ; + + rdfs:seeAlso ?rdfsSeeAlso ; + cito:citesAsAuthority ?citoCitesAsAuthority ; + void:subset ?voidSubset ; + + ### Identifiers + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix ; + idot:identifierPattern ?idotIdentifierPatternRdf ; + idot:accessPattern ?idotAccessPatternRdf ; + idot:exampleIdentifier ?idotExampleIdentifier ; + void:exampleResource ?voidExampleResourceRdf ; + + ### Provenance and Change + sio:has-data-item ?sioHasDataItem ; + pav:version ?pavVersionRdf ; + pav:previousVersion ?pavPreviousVersionRdf ; + dct:source ?dctSource ; + #pav:retrievedFrom ?dctSource ; + #prov:wasDerivedFrom ?dctSource ; + pav:createdWith ?pavCreatedWithRdf ; + + #Availability/Distributions + dct:format ?dctFormatRdf ; + dcat:accessURL ?dcatAccessURL ; + dcat:landingPage ?dcatLandingPageRdf ; + dcat:downloadURL ?dcatDownloadURLRdf ; + void:dataDump ?voidDataDump + . + + } +} +WHERE +{ + BIND( AS ?summaryUri) # user input. Careful, for drugbank ido uses it as void:uriSpace for a dcat:CatalogRecord + BIND("1.0"^^xsd:string AS ?pavVersion) # Increment it from the latest version? Or user input + BIND("1.0"^^xsd:string AS ?pavVersionRdf) # Increment it from the latest version? Or user input + + # Define the graph (A landing page, feed, SPARQL endpoint or other type of resource that gives access to the distribution of the dataset) + BIND(iri("https://w3id.org/d2s/graph/biolink/omim") AS ?dcatAccessURL) # May. uri + + OPTIONAL { + ?summaryUri dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:license ?dctLicense ; + dct:publisher ?dctPublisher ; + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix . + } + + # Needs to be at the beginning + BIND(iri(concat(str(?summaryUri), "version#", str(?pavVersion))) AS ?versionUri) + #getsum: BIND(iri("http://test/") AS ?versionUri) + BIND(iri(concat(str(?summaryUri), "distribution/source#", str(?pavVersion))) AS ?distributionSourceUri) + BIND(iri(concat(str(?summaryUri), "distribution/rdf#", str(?pavVersionRdf))) AS ?distributionRdfUri) + + + ##### User input + + ############## + #### MUST #### + ############## + + + # Use https://orcid.org/ for researchers when possible or generate a new agent URI (like here) + #BIND("DrugBank" AS ?dctPublisherName) # Optional if external URI, to store publisher name in our graph if the URI already resolves + #BIND( AS ?dctPublisherPage) # Optional, to store publisher info in our graph if the URI already resolves + #BIND(iri(concat("https://w3id.org/d2s/agent/", md5(?dctPublisherName))) AS ?dctPublisher) # Get from summary. But let the possibility to redefine it for a dataset + + BIND("HUGO Gene Nomenclature Committee at the European Bioinformatics Institute" AS ?dctCreatorName) # Optional if external URI, to store creator name in our graph if the URI already resolves + BIND(iri(concat("https://w3id.org/d2s/agent/", md5(?dctCreatorName))) AS ?dctCreator) + + #BIND(iri("http://creativecommons.org/licenses/by-sa/3.0/") AS ?dctLicense) # Get from summary. But let the possibility to redefine it for a dataset + + + ## Source Distribution + BIND(concat(?versionTitle, " Database Distribution") AS ?sourceDistributionTitle) + BIND("text/tab-separated-values" AS ?dctFormatSource) + + ## RDF Distribution + BIND(concat(?versionTitle, " RDF Distribution") AS ?rdfDistributionTitle) + BIND(concat("Converted to BioLink RDF using data2services framework. ", ?description) AS ?rdfDistributionDescription) + VALUES (?dctFormatRdf) { ( ) ( "application/n-quads" ) ( "application/rdf+xml" ) ( "application/n3" ) ( "application/ld+json" ) ( "text/turtle" ) } + BIND("Institute of Data Science at Maastricht University" AS ?dctPublisherNameRdf) # Optional if external URI, to store publisher name in our graph if the URI already resolves + BIND( AS ?dctPublisherPageRdf) # Optional, to store publisher info in our graph if the URI already resolves + BIND(iri(concat("https://w3id.org/d2s/agent/", md5(?dctPublisherNameRdf))) AS ?dctPublisherRdf) + + BIND("Institute of Data Science at Maastricht University" AS ?dctCreatorNameRdf) # Optional if external URI, to store creator name in our graph if the URI already resolves + BIND(iri(concat("https://w3id.org/d2s/agent/", md5(?dctCreatorNameRdf))) AS ?dctCreatorRdf) + + + ############## + ### SHOULD ### + ############## + + #BIND("2013-08"^^xsd:gYearMonth AS ?dctCreated) + BIND("2018-11-19"^^xsd:date AS ?dctIssued) # Same for version and source distribution + #BIND(iri("http://www.ebi.ac.uk/chembl/") AS ?foafPage) + #BIND(iri("http://www.ebi.ac.uk/rdf/sites/ebi.ac.uk.rdf/files/resize/images/rdf/chembl_service_logo-146x48.gif") AS ?schemaorgLogo) + BIND( AS ?dctLanguage) + #BIND( AS ?pavPreviousVersion) + #BIND(:pubchem-bioassay-09-01-2014 AS ?dctSource) + + ## Source distribution + BIND( AS ?dcatDownloadURLSource) # user input + #BIND("1"^^xsd:string AS ?pavVersionSource) # user input + #BIND( AS ?pavPreviousVersion) + #BIND( AS ?pavCreatedWith ) + #BIND( AS ?dcatDownloadURLSource ) + #BIND("861443887"^^xsd:decimal AS ?dcatByteSize ) + + ## RDF distribution + BIND(now() AS ?dctIssuedRdf) + BIND( AS ?voidVocabulary) + #BIND( AS ?pavPreviousVersionRdf) + BIND( AS ?dcatLandingPageRdf) + BIND( AS ?pavCreatedWithRdf ) + BIND( AS ?dcatDownloadURLRdf) + BIND( AS ?voidDataDump ) + + + ############# + #### MAY #### + ############# + + BIND( AS ?dctConformsTo) # constant. uri + BIND("602345"^^xsd:string AS ?idotExampleIdentifier) + + #BIND("Alternative label for dataset" AS ?dctAlternative) + #BIND("The data in ChEMBL is covered by the Creative Commons By Attribution." AS ?dctRights) + #BIND( AS ?dcatLandingPage) + + # Additional dates and actors. Same for version and RDF distribution + #BIND("2013-08"^^xsd:gYearMonth AS ?pavCreatedOn) + #BIND("2013-08"^^xsd:gYearMonth AS ?pavAuthoredOn) + #BIND("2013-08"^^xsd:gYearMonth AS ?pavCuratedOn) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?dctContributor) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavCreatedBy) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavIssuedBy) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavAuthoredBy) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavCuratedBy) + + ## Source + #BIND( AS ?dcatAccessURLSource) + #BIND( AS ?dcatLandingPageSource) + + #BIND(ncit:C48807 AS ?dcatTheme) # uri. Example is chemical + #VALUES (?dcatKeyword) { ( "assay" ) ( "chemical" ) } # array + #BIND(iri("http://dx.doi.org/10.1093/bioinformatics/btt765") AS ?dctReferences) # uri + #BIND(iri("http://en.wikipedia.org/wiki/ChEMBL") AS ?rdfsSeeAlso) # uri + #BIND(iri("http://nar.oxfordjournals.org/content/40/D1/D1100") AS ?citoCitesAsAuthority) # uri + #VALUES (?dctHasPart) { ( :chembl17_rdf_molecule_dataset ) ( :chembl17_rdf_target_dataset ) } # uri array of distributions + + #BIND("CHEMBL\\d+"^^xsd:string AS ?idotIdentifierPatternSource) + #VALUES (?idotAccessPatternSource) { ( "http://bio2rdf.org/chembl ) ( "http://identifiers.org/chembl.compound/" ) } # array + + ## RDF distribution + BIND( AS ?voidExampleResourceRdf) # TODO: automate + BIND( AS ?sioHasDataItem) + #VALUES (?voidSubset) { ( :chembl17_rdf_molecule_dataset ) ( :chembl17_rdf_target_dataset ) } # uri array of distributions + #BIND("CHEMBL\\d+"^^xsd:string AS ?idotIdentifierPatternRdf) + #VALUES (?idotAccessPatternRdf) { ( "http://bio2rdf.org/chembl ) ( "http://identifiers.org/chembl.compound/" ) } # array + + # Additional dates and actors + #BIND("2013-08"^^xsd:gYearMonth AS ?pavCreatedOnRdf) + #BIND("2013-08"^^xsd:gYearMonth AS ?pavAuthoredOnRdf) + #BIND("2013-08"^^xsd:gYearMonth AS ?pavCuratedOnRdf) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?dctContributorRdf) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavCreatedByRdf) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavIssuedByRdf) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavAuthoredByRdf) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavCuratedByRdf) + + # TODO: Automate those + +} + diff --git a/archived-datasets/imported-omim/download.sh b/archived-datasets/imported-omim/download.sh new file mode 100644 index 0000000..a846096 --- /dev/null +++ b/archived-datasets/imported-omim/download.sh @@ -0,0 +1,11 @@ + +wget -N -a download.log https://omim.org/static/omim/data/mim2gene.txt + +# Remove the 4 first lines +sed -i -e '1,5d' mim2gene.txt + +## RENAME EXTENSION (e.g.: txt in tsv) +rename s/\.txt/.tsv/ *.txt + +# Add columns label for TSV +sed -i '1s/^/MIM_Number\tMIM_Entry_Type\tEntrez_Gene_ID_NCBI\tApproved_Gene_Symbol_HGNC\tEnsembl_Gene_ID_Ensembl\n/' *.tsv \ No newline at end of file diff --git a/archived-datasets/imported-omim/insert-omim-gene.rq b/archived-datasets/imported-omim/insert-omim-gene.rq new file mode 100644 index 0000000..15740dd --- /dev/null +++ b/archived-datasets/imported-omim/insert-omim-gene.rq @@ -0,0 +1,48 @@ +PREFIX d2smodel: +PREFIX rdfs: +PREFIX owl: +PREFIX dc: +PREFIX dcterms: +PREFIX bl: +PREFIX w3idvocab: +INSERT +{ + GRAPH { + ?omimUri a bl:Gene ; + bl:id ?omimCurie ; + bl:same_as ?uriNcbi , + ?uriEnsembl, + ?uriHgnc . + + ?uriNcbi a bl:Gene . + ?uriEnsembl a bl:Gene . + ?uriHgnc a bl:Gene . + } +} +WHERE { + SERVICE { + GRAPH { + ?s d2smodel:Mim_number ?omim_id . + ?s d2smodel:Mim_entry_type ?Mim_entry_type . + #gene phenotype (predominantly phenotypes) moved/removed gene/phenotype + FILTER (?Mim_entry_type = "gene" || ?Mim_entry_type = "gene/phenotype") + + OPTIONAL { + ?s d2smodel:Entrez_gene_id_ncbi ?idNcbi . + BIND ( iri(concat("http://identifiers.org/ncbigene/", ?idNcbi) ) AS ?uriNcbi ) + } OPTIONAL { + ?s d2smodel:Ensembl_gene_id_ensembl ?idEnsembl . + BIND ( iri(concat("http://identifiers.org/ensembl/", ?idEnsembl) ) AS ?uriEnsembl ) + } OPTIONAL { + ?s d2smodel:Approved_gene_symbol_hgnc ?symbolHgnc . + BIND ( iri(concat("http://identifiers.org/hgnc.symbol/", ?symbolHgnc) ) AS ?uriHgnc ) + } + + BIND ( iri(concat("http://identifiers.org/omim/", ?omim_id)) AS ?omimUri ) + BIND ( concat("omim:", ?omim_id) AS ?omimCurie ) + + # Avoid taking the first row with columns labels + FILTER( ?omim_id != "Omim_id") + } + } +} \ No newline at end of file diff --git a/archived-datasets/imported-omim/insert-omim-phenotype.rq b/archived-datasets/imported-omim/insert-omim-phenotype.rq new file mode 100644 index 0000000..2015dd0 --- /dev/null +++ b/archived-datasets/imported-omim/insert-omim-phenotype.rq @@ -0,0 +1,33 @@ +PREFIX d2smodel: +PREFIX rdfs: +PREFIX owl: +PREFIX dc: +PREFIX dcterms: +PREFIX bl: +PREFIX w3idvocab: +INSERT +{ + GRAPH { + ?omimUri a bl:Phenotype ; + bl:id ?omimCurie . + } +} +WHERE { + SERVICE { + GRAPH { + ?s d2smodel:Mim_number ?omim_id . + ?s d2smodel:Mim_entry_type ?Mim_entry_type . + #gene phenotype (predominantly phenotypes) moved/removed gene/phenotype + FILTER (?Mim_entry_type = "phenotype" || ?Mim_entry_type = "predominantly phenotypes") + # are 'predominantly phenotypes' really phenotypes? + # predominant: https://omim.org/entry/131880 + # phenotype: https://omim.org/entry/610370 + + BIND ( iri(concat("http://identifiers.org/omim/", ?omim_id)) AS ?omimUri ) + BIND ( concat("omim:", ?omim_id) AS ?omimCurie ) + + # Avoid taking the first row with columns labels + FILTER( ?omim_id != "Omim_id") + } + } +} \ No newline at end of file diff --git a/archived-datasets/imported-phenomenet/00-insert-metadata-summary-phenomenet.rq b/archived-datasets/imported-phenomenet/00-insert-metadata-summary-phenomenet.rq new file mode 100644 index 0000000..da3757f --- /dev/null +++ b/archived-datasets/imported-phenomenet/00-insert-metadata-summary-phenomenet.rq @@ -0,0 +1,117 @@ +#BASE +#PREFIX : +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: + + +PREFIX bl: +PREFIX dqv: +PREFIX hcls: +PREFIX d2sdata: + + +# Complete example at https://www.w3.org/TR/hcls-dataset/#appendix_1 + +INSERT { + GRAPH + { + ### Summary Level (Complete) + ?summaryUri + rdf:type dctypes:Dataset ; # MUST + + ### General informations + dct:title ?dctTitle ; + dct:alternative ?dctAlternative ; + dct:description ?dctDescription ; + dct:publisher ?dctPublisher ; + + foaf:page ?foafPage ; + schemaorg:logo ?schemaorgLogo ; + + dct:license ?dctLicense ; + dct:rights ?dctRights ; + + dcat:theme ?dcatTheme ; #chemical + dcat:keyword ?dcatKeyword ; + + rdfs:seeAlso ?rdfsSeeAlso ; + cito:citesAsAuthority ?citoCitesAsAuthority ; + dct:hasPart ?dctHasPart ; + + ### Identifiers + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix ; + + ### Provenance and Change + #pav:hasCurrentVersion ?pavHasCurrentVersion ; + dct:accrualPeriodicity ?dctAccrualPeriodicity ; + + ### Availability/Distributions + dcat:accessURL ?dcatAccessURL ; # May. Use this to define the graph (A landing page, feed, SPARQL endpoint or other type of resource that gives access to the distribution of the dataset) + void:sparqlEndpoint ?sparqlEndpoint # Should. Only in summary + . + + ?dctPublisher a dct:Agent ; + foaf:name ?dctPublisherName ; + foaf:page ?dctPublisherPage ; + . + } +} +WHERE +{ + ##### User input + + ### MUST + BIND( AS ?summaryUri) # user input + # Careful, ido uses it as void:uriSpace for a dcat:CatalogRecord + + BIND("PhenomeNET"@en AS ?dctTitle) # user input + BIND("An integrated phenotype ontology, combining phenotypes from human, mouse, fish."@en AS ?dctDescription) # user input + + # Use https://orcid.org/ for researchers when possible or generate a new agent URI (like here) + BIND("KAUST: King Abdullah University of Science and Technology" AS ?dctPublisherName) # Optional, to store publisher name in our graph if the URI already resolves + BIND( AS ?dctPublisherPage) # Optional, to store publisher info in our graph if the URI already resolves + BIND(iri(concat("https://w3id.org/d2s/agent/", md5(?dctPublisherName))) AS ?dctPublisher) + + BIND("phenomenet" AS ?idotPreferredPrefix) # Usually a May but required for data2services since it used as source ID to generate the graph URI. + + BIND( AS ?voidSparqlEndpoint) # Usually a Should but required for data2services. + + + ### SHOULD + BIND( AS ?foafPage) + #BIND(iri("http://www.ebi.ac.uk/rdf/sites/ebi.ac.uk.rdf/files/resize/images/rdf/chembl_service_logo-146x48.gif") AS ?schemaorgLogo) + #BIND(freq:quarterly AS ?dctAccrualPeriodicity) # Use freq: + + + ### MAY + #BIND("Alternative label for dataset" AS ?dctAlternative) + #BIND(iri("http://creativecommons.org/licenses/by-sa/3.0/") AS ?dctLicense) # See https://www.genenames.org/about/ + #BIND("The data in ChEMBL is covered by the Creative Commons By Attribution." AS ?dctRights) + #BIND(ncit:C48807 AS ?dcatTheme) # uri. Example is chemical + #VALUES (?dcatKeyword) { ( "assay" ) ( "chemical" ) } # array + #BIND(iri("http://en.wikipedia.org/wiki/ChEMBL") AS ?rdfsSeeAlso) # uri + #BIND(iri("http://nar.oxfordjournals.org/content/40/D1/D1100") AS ?citoCitesAsAuthority) # uri + #VALUES (?dctHasPart) { ( :chembl17_rdf_molecule_dataset ) ( :chembl17_rdf_target_dataset ) } # uri array of distributions + #BIND("chembldb" AS ?idotAlternatePrefix) # string + + #BIND(iri("https://w3id.org/d2s/dataset/drugbank/version#1") AS ?pavHasCurrentVersion) # We will automatically generate it, atm only using isVersionOf in the version item +} \ No newline at end of file diff --git a/archived-datasets/imported-phenomenet/01-insert-metadata-distribution-phenomenet.rq b/archived-datasets/imported-phenomenet/01-insert-metadata-distribution-phenomenet.rq new file mode 100644 index 0000000..171e11e --- /dev/null +++ b/archived-datasets/imported-phenomenet/01-insert-metadata-distribution-phenomenet.rq @@ -0,0 +1,385 @@ +BASE +PREFIX : +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: +PREFIX bl: +PREFIX dqv: +PREFIX hcls: +PREFIX d2sdata: + + +# Complete example at https://www.w3.org/TR/hcls-dataset/#appendix_1 + +INSERT { + GRAPH { + + ?dctPublisher a dct:Agent ; + foaf:name ?dctPublisherName ; + foaf:page ?dctPublisherPage ; + . + + ?dctCreator a dct:Agent ; + foaf:name ?dctCreatorName + . + + ?dctPublisherRdf a dct:Agent ; + foaf:name ?dctPublisherNameRdf ; + foaf:page ?dctPublisherPageRdf ; + . + + ?dctCreatorRdf a dct:Agent ; + foaf:name ?dctCreatorNameRdf + . + + ### Version Level (Complete) + ?versionUri + rdf:type dctypes:Dataset ; # MUST + + ### General informations + dct:title ?dctTitleVersion ; + dct:alternative ?dctAlternative ; + dct:description ?dctDescription ; + + + dct:created ?dctCreated; + dct:creator ?dctCreator ; + dct:publisher ?dctPublisher ; + + ### Additional dates and actors + pav:createdOn ?pavCreatedOn ; + pav:authoredOn ?pavAuthoredOn; + pav:curatedOn ?pavCuratedOn ; + dct:contributor ?dctContributor ; + pav:createdBy ?pavCreatedBy ; + pav:authoredBy ?pavAuthoredBy ; + pav:curatedBy ?pavCuratedBy ; + dct:issued ?dctIssued ; + + foaf:page ?foafPage ; + schemaorg:logo ?schemaorgLogo ; + + dct:license ?dctLicense ; + dct:rights ?dctRights ; + + dct:language ?dctLanguage ; + dcat:theme ?dcatTheme ; #chemical + dcat:keyword ?dcatKeyword ; + void:vocabulary ?voidVocabulary ; + dct:conformsTo ?dctConformsTo ; + dct:references ?dctReferences ; + + rdfs:seeAlso ?rdfsSeeAlso ; + cito:citesAsAuthority ?citoCitesAsAuthority ; + dct:hasPart ?dctHasPart ; + + ### Identifiers + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix ; + + ### Provenance and Change + pav:version ?pavVersion ; + dct:isVersionOf ?summaryUri ; + pav:previousVersion ?pavPreviousVersion ; + dct:source ?dctSource ; + #pav:retrievedFrom ?dctSource ; + #prov:wasDerivedFrom ?dctSource ; + + #Availability/Distributions + dcat:distribution ?distributionRdfUri, ?distributionSourceUri ; + dcat:accessURL ?dcatAccessURL ; + dcat:landingPage ?dcatLandingPage + . + + + ### Distribution (non-RDF) description (Complete) + ?distributionSourceUri + a dctypes:Dataset, dcat:Distribution ; + ### General informations + dct:title ?sourceDistributionTitle ; + dct:alternative ?dctAlternative ; + dct:description ?dctDescription ; + + dct:created ?dctCreated ; + dct:creator ?dctCreator ; + dct:publisher ?dctPublisher ; + + ### Additional dates and actors + pav:createdOn ?pavCreatedOn ; + pav:authoredOn ?pavAuthoredOn ; + pav:curatedOn ?pavCuratedOn ; + dct:contributor ?dctContributor ; + pav:createdBy ?pavCreatedBy ; + pav:authoredBy ?pavAuthoredBy ; + pav:curatedBy ?pavCuratedBy ; + dct:issued ?dctIssued ; + + foaf:page ?foafPage ; + schemaorg:logo ?schemaorgLogo ; + + dct:license ?dctLicense ; + dct:rights ?dctRights ; + + dct:language ?dctLanguage ; + dcat:theme ?dcatTheme ; #chemical + dcat:keyword ?dcatKeyword ; + + dct:conformsTo ?dctConformsTo ; + dct:references ?dctReferences ; + + rdfs:seeAlso ?rdfsSeeAlso ; + cito:citesAsAuthority ?citoCitesAsAuthority ; + dct:hasPart ?dctHasPart ; + + ### Identifiers + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix ; + idot:identifierPattern ?idotIdentifierPatternSource ; + idot:accessPattern ?idotAccessPatternSource ; + idot:exampleIdentifier ?idotExampleIdentifier ; + + ### Provenance and Change + pav:version ?pavVersion ; + pav:previousVersion ?pavPreviousVersion ; + dct:source ?dctSource ; + #pav:retrievedFrom ?dctSource ; + #prov:wasDerivedFrom ?dctSource ; + pav:createdWith ?pavCreatedWith ; + + #Availability/Distributions + dct:format ?dctFormatSource ; + dcat:accessURL ?dcatAccessURLSource ; + dcat:landingPage ?dcatLandingPageSource ; + dcat:downloadURL ?dcatDownloadURLSource ; + dcat:byteSize ?dcatByteSize + . + + ### RDF Distribution description (Complete) + ?distributionRdfUri + a dctypes:Dataset, dcat:Distribution, void:Dataset ; + ### General informations + dct:title ?rdfDistributionTitle ; + dct:alternative ?dctAlternative ; + dct:description ?dctDescription ; + + dct:created ?dctCreatedRdf ; + dct:creator ?dctCreatorRdf ; + dct:publisher ?dctPublisherRdf ; + + ### Additional dates and actors + pav:createdOn ?pavCreatedOnRdf ; + pav:authoredOn ?pavAuthoredOnRdf; + pav:curatedOn ?pavCuratedOnRdf ; + dct:contributor ?dctContributorRdf ; + pav:createdBy ?pavCreatedByRdf ; + pav:authoredBy ?pavAuthoredByRdf ; + pav:curatedBy ?pavCuratedByRdf ; + dct:issued ?dctIssuedRdf ; + + foaf:page ?foafPage ; + schemaorg:logo ?schemaorgLogo ; + + dct:license ?dctLicense ; + dct:rights ?dctRights ; + + dct:language ?dctLanguage ; + dcat:theme ?dcatTheme ; #chemical + dcat:keyword ?dcatKeyword ; + + dct:conformsTo ?dctConformsTo ; + dct:references ?dctReferences ; + + rdfs:seeAlso ?rdfsSeeAlso ; + cito:citesAsAuthority ?citoCitesAsAuthority ; + void:subset ?voidSubset ; + + ### Identifiers + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix ; + idot:identifierPattern ?idotIdentifierPatternRdf ; + idot:accessPattern ?idotAccessPatternRdf ; + idot:exampleIdentifier ?idotExampleIdentifier ; + void:exampleResource ?voidExampleResourceRdf ; + + ### Provenance and Change + sio:has-data-item ?sioHasDataItem ; + pav:version ?pavVersionRdf ; + pav:previousVersion ?pavPreviousVersionRdf ; + dct:source ?dctSource ; + #pav:retrievedFrom ?dctSource ; + #prov:wasDerivedFrom ?dctSource ; + pav:createdWith ?pavCreatedWithRdf ; + + #Availability/Distributions + dct:format ?dctFormatRdf ; + dcat:accessURL ?dcatAccessURL ; + dcat:landingPage ?dcatLandingPageRdf ; + dcat:downloadURL ?dcatDownloadURLRdf ; + void:dataDump ?voidDataDump + . + + } +} +WHERE +{ + BIND( AS ?summaryUri) # user input. Careful, for drugbank ido uses it as void:uriSpace for a dcat:CatalogRecord + BIND("1.1"^^xsd:string AS ?pavVersion) # Increment it from the latest version? Or user input + BIND("1.1"^^xsd:string AS ?pavVersionRdf) # Increment it from the latest version? Or user input + + # Define the graph (A landing page, feed, SPARQL endpoint or other type of resource that gives access to the distribution of the dataset) + BIND(iri("https://w3id.org/d2s/graph/biolink/phenomenet") AS ?dcatAccessURL) # May. uri + + OPTIONAL { + ?summaryUri dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:license ?dctLicense ; + dct:publisher ?dctPublisher ; + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix . + } + + # Needs to be at the beginning + BIND(iri(concat(str(?summaryUri), "version#", str(?pavVersion))) AS ?versionUri) + #getsum: BIND(iri("http://test/") AS ?versionUri) + BIND(iri(concat(str(?summaryUri), "distribution/source#", str(?pavVersion))) AS ?distributionSourceUri) + BIND(iri(concat(str(?summaryUri), "distribution/rdf#", str(?pavVersionRdf))) AS ?distributionRdfUri) + + + ##### User input + + ############## + #### MUST #### + ############## + + + # Use https://orcid.org/ for researchers when possible or generate a new agent URI (like here) + #BIND("DrugBank" AS ?dctPublisherName) # Optional if external URI, to store publisher name in our graph if the URI already resolves + #BIND( AS ?dctPublisherPage) # Optional, to store publisher info in our graph if the URI already resolves + #BIND(iri(concat("https://w3id.org/d2s/agent/", md5(?dctPublisherName))) AS ?dctPublisher) # Get from summary. But let the possibility to redefine it for a dataset + + BIND(?dctPublisher AS ?dctCreator) + #BIND("HUGO Gene Nomenclature Committee at the European Bioinformatics Institute" AS ?dctCreatorName) # Optional if external URI, to store creator name in our graph if the URI already resolves + #BIND(iri(concat("https://w3id.org/d2s/agent/", md5(?dctCreatorName))) AS ?dctCreator) + + #BIND(iri("http://creativecommons.org/licenses/by-sa/3.0/") AS ?dctLicense) # Get from summary. But let the possibility to redefine it for a dataset + + + ## Source Distribution + BIND(concat(?versionTitle, " Database Distribution") AS ?sourceDistributionTitle) + BIND("application/xml" AS ?dctFormatSource) + + ## RDF Distribution + BIND(concat(?versionTitle, " RDF Distribution") AS ?rdfDistributionTitle) + BIND(concat("Converted to BioLink RDF using data2services framework. ", ?description) AS ?rdfDistributionDescription) + VALUES (?dctFormatRdf) { ( ) ( "application/n-quads" ) ( "application/rdf+xml" ) ( "application/n3" ) ( "application/ld+json" ) ( "text/turtle" ) } + BIND("Institute of Data Science at Maastricht University" AS ?dctPublisherNameRdf) # Optional if external URI, to store publisher name in our graph if the URI already resolves + BIND( AS ?dctPublisherPageRdf) # Optional, to store publisher info in our graph if the URI already resolves + BIND(iri(concat("https://w3id.org/d2s/agent/", md5(?dctPublisherNameRdf))) AS ?dctPublisherRdf) + + BIND("Institute of Data Science at Maastricht University" AS ?dctCreatorNameRdf) # Optional if external URI, to store creator name in our graph if the URI already resolves + BIND(iri(concat("https://w3id.org/d2s/agent/", md5(?dctCreatorNameRdf))) AS ?dctCreatorRdf) + + + ############## + ### SHOULD ### + ############## + + #BIND("2013-08"^^xsd:gYearMonth AS ?dctCreated) + BIND("2017-11-12"^^xsd:date AS ?dctIssued) # Same for version and source distribution + #BIND(iri("http://www.ebi.ac.uk/chembl/") AS ?foafPage) + #BIND(iri("http://www.ebi.ac.uk/rdf/sites/ebi.ac.uk.rdf/files/resize/images/rdf/chembl_service_logo-146x48.gif") AS ?schemaorgLogo) + BIND( AS ?dctLanguage) + #BIND( AS ?pavPreviousVersion) + #BIND(:pubchem-bioassay-09-01-2014 AS ?dctSource) + + ## Source distribution + BIND( AS ?dcatDownloadURLSource) # user input + #BIND("1"^^xsd:string AS ?pavVersionSource) # user input + #BIND( AS ?pavPreviousVersion) + #BIND( AS ?pavCreatedWith ) + #BIND( AS ?dcatDownloadURLSource ) + #BIND("861443887"^^xsd:decimal AS ?dcatByteSize ) + + ## RDF distribution + BIND(now() AS ?dctIssuedRdf) + BIND( AS ?voidVocabulary) + #BIND( AS ?pavPreviousVersionRdf) + BIND( AS ?dcatLandingPageRdf) + BIND( AS ?pavCreatedWithRdf ) + BIND( AS ?dcatDownloadURLRdf) + BIND( AS ?voidDataDump ) + + + ############# + #### MAY #### + ############# + + BIND( AS ?dctConformsTo) # constant. uri + BIND("HP:0000118"^^xsd:string AS ?idotExampleIdentifier) + + #BIND("Alternative label for dataset" AS ?dctAlternative) + #BIND("The data in ChEMBL is covered by the Creative Commons By Attribution." AS ?dctRights) + #BIND( AS ?dcatLandingPage) + + # Additional dates and actors. Same for version and RDF distribution + #BIND("2013-08"^^xsd:gYearMonth AS ?pavCreatedOn) + #BIND("2013-08"^^xsd:gYearMonth AS ?pavAuthoredOn) + #BIND("2013-08"^^xsd:gYearMonth AS ?pavCuratedOn) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?dctContributor) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavCreatedBy) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavIssuedBy) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavAuthoredBy) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavCuratedBy) + + ## Source + #BIND( AS ?dcatAccessURLSource) + #BIND( AS ?dcatLandingPageSource) + + #BIND(ncit:C48807 AS ?dcatTheme) # uri. Example is chemical + #VALUES (?dcatKeyword) { ( "assay" ) ( "chemical" ) } # array + #BIND(iri("http://dx.doi.org/10.1093/bioinformatics/btt765") AS ?dctReferences) # uri + #BIND(iri("http://en.wikipedia.org/wiki/ChEMBL") AS ?rdfsSeeAlso) # uri + #BIND(iri("http://nar.oxfordjournals.org/content/40/D1/D1100") AS ?citoCitesAsAuthority) # uri + #VALUES (?dctHasPart) { ( :chembl17_rdf_molecule_dataset ) ( :chembl17_rdf_target_dataset ) } # uri array of distributions + + #BIND("CHEMBL\\d+"^^xsd:string AS ?idotIdentifierPatternSource) + #VALUES (?idotAccessPatternSource) { ( "http://bio2rdf.org/chembl ) ( "http://identifiers.org/chembl.compound/" ) } # array + + ## RDF distribution + BIND( AS ?voidExampleResourceRdf) # TODO: automate + BIND( AS ?sioHasDataItem) + #VALUES (?voidSubset) { ( :chembl17_rdf_molecule_dataset ) ( :chembl17_rdf_target_dataset ) } # uri array of distributions + #BIND("CHEMBL\\d+"^^xsd:string AS ?idotIdentifierPatternRdf) + #VALUES (?idotAccessPatternRdf) { ( "http://bio2rdf.org/chembl ) ( "http://identifiers.org/chembl.compound/" ) } # array + + # Additional dates and actors + #BIND("2013-08"^^xsd:gYearMonth AS ?pavCreatedOnRdf) + #BIND("2013-08"^^xsd:gYearMonth AS ?pavAuthoredOnRdf) + #BIND("2013-08"^^xsd:gYearMonth AS ?pavCuratedOnRdf) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?dctContributorRdf) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavCreatedByRdf) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavIssuedByRdf) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavAuthoredByRdf) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavCuratedByRdf) + + # TODO: Automate those + +} + diff --git a/archived-datasets/imported-phenomenet/insert-phenomenet-annotations.rq b/archived-datasets/imported-phenomenet/insert-phenomenet-annotations.rq new file mode 100644 index 0000000..04e2c1f --- /dev/null +++ b/archived-datasets/imported-phenomenet/insert-phenomenet-annotations.rq @@ -0,0 +1,49 @@ +PREFIX d2smodel: +PREFIX rdfs: +PREFIX owl: +PREFIX dc: +PREFIX dcterms: +PREFIX bl: +PREFIX w3idvocab: +INSERT +{ + GRAPH { + + ?omimUri a bl:Disease ; + bl:id ?omimId ; + bl:has_phenotype ?hpoUri . + + ?hpoUri a bl:Phenotype ; + bl:id ?hpoId . + + } +} +WHERE { + SERVICE { + GRAPH { + # What to do with PMID? + #https://graphdb.dumontierlab.com/resource?uri=http:%2F%2Fdata2services%2Fdata%2Fbio2vec%2Fphenomenet%2Fphenotype_annotation_hpoteam.tsv%2F87104 + + # Don't distinct between phenotype_annotation_hpoteam.tsv and phenotype_annotation.tsv + ?s d2smodel:Db "OMIM" ; + d2smodel:Db_reference ?omimId ; + d2smodel:Hpo_id ?hpoId . + + BIND ( iri(concat("http://identifiers.org/", ?omimId)) AS ?omimUri ) + BIND ( iri(concat("http://purl.obolibrary.org/obo/", replace(?hpoId, ":", "_"))) AS ?hpoUri ) + #BIND ( iri(concat("http://identifiers.org/", ?hpoId)) AS ?hpoUri ) + + OPTIONAL { + ?s d2smodel:Evidence_code ?Evidence_code . + } OPTIONAL { + ?s d2smodel:Modifier ?Modifier . + } OPTIONAL { + ?s d2smodel:Date_created ?Date_created . + } + + # Avoid taking the first row with columns labels + FILTER( ?omimId != "DB_Reference") + FILTER( strstarts(?omimId, "OMIM:") ) # Only get OMIM (avoid PMID) + } + } +} \ No newline at end of file diff --git a/archived-datasets/imported-phenomenet/insert-phenomenet-ontology.rq b/archived-datasets/imported-phenomenet/insert-phenomenet-ontology.rq new file mode 100644 index 0000000..b9ad2f3 --- /dev/null +++ b/archived-datasets/imported-phenomenet/insert-phenomenet-ontology.rq @@ -0,0 +1,94 @@ +PREFIX d2smodel: +PREFIX rdfs: +PREFIX owl: +PREFIX dc: +PREFIX dcterms: +PREFIX bl: +PREFIX w3idvocab: +PREFIX oboInOwl: +INSERT +{ + GRAPH { + + ?entityOriginalUri a ?entityType ; + bl:id ?phenotypeId ; + bl:name ?phenotypeLabel ; + bl:description ?phenotypeDescription ; + bl:description ?phenotypeOboDefinition ; + bl:synonym ?phenotypeExactSynonym ; + bl:same_as ?phenotypeEquivalentClass ; + bl:category ?entitySubClassOf . # not using bl:subclass_of, it is for OntologyClass + } +} +WHERE { + SERVICE { + GRAPH { # bio2vec-test + # What to do with PMID? + #https://graphdb.dumontierlab.com/resource?uri=http:%2F%2Fdata2services%2Fdata%2Fbio2vec%2Fphenomenet%2Fphenotype_annotation_hpoteam.tsv%2F87104 + + ?entityOriginalUri a owl:Class ; + rdfs:label ?phenotypeLabel . + + FILTER( ! strstarts(?phenotypeOboNamespace, "zebrafish_") ) + + # Get the Class type: + # spatial, quality, biological_process, zebrafish_anatomy, cellular_component, molecular_function, uberon, cell, + # MPheno.ontology, cl, human_phenotype, uberon/phenoscape-anatomy, none, zebrafish_stages, zebrafish_anatomical_ontology + OPTIONAL { ?entityOriginalUri oboInOwl:hasOBONamespace ?phenotypeOboNamespace . } + + VALUES (?filterOboNamespace ?entityType) { + ( "MPheno.ontology" bl:Phenotype ) # identifiers.org + id (obo) + ( "human_phenotype" bl:Phenotype ) # identifiers.org + id (obo) + ( "zebrafish_anatomy" bl:Phenotype ) # Seems to be anatomy. Not sure it is phenotype (http://purl.obolibrary.org/obo/ZFA_0001486) no identifiers.org + ( "zebrafish_anatomical_ontology" bl:Phenotype ) # Only 2 ZFA entities^ + ( "zebrafish_stages" bl:Phenotype ) # Seems to be anatomy (http://purl.obolibrary.org/obo/ZFS_0001486) no identifiers.org + ( "biological_process" bl:BiologicalProcess ) + ( "cellular_component" bl:CellularComponent ) + ( "molecular_function" bl:MolecularActivity ) # Or bl:GeneOntologyClass? + # GO: identifiers.org + id + ( "uberon" bl:AnatomicalEntity ) # Anatomy (https://graphdb.dumontierlab.com/resource?uri=http:%2F%2Fpurl.obolibrary.org%2Fobo%2FUBERON_0001255) + ( "uberon/phenoscape-anatomy" bl:AnatomicalEntity ) # UBERON Anatomy + ( "none" bl:AnatomicalEntity ) # UBERON Anatomy http://identifiers.org/ + id (UBERON:0001255) + ( "cell" bl:Cell ) + ( "cl" bl:Cell ) # no id http://purl.obolibrary.org/obo/CL_0000150. Should be http://identifiers.org/CL:0000150 + #(UNDEF bl:MolecularEntity ) + } + FILTER (sameTerm(LCASE(?phenotypeOboNamespace), ?filterOboNamespace)) + + OPTIONAL { ?entityOriginalUri oboInOwl:id ?phenotypeId . } + + #OPTIONAL { ?entityOriginalUri oboInOwl:hasOBONamespace ?phenotypeOboNamespace . } + + OPTIONAL { ?entityOriginalUri owl:equivalentClass ?phenotypeEquivalentClass . + FILTER (!isBlank(?phenotypeEquivalentClass)) + } + + OPTIONAL { ?entityOriginalUri oboInOwl:hasExactSynonym ?phenotypeExactSynonym . } + + OPTIONAL { ?entityOriginalUri oboInOwl:hasDbXref ?phenotypeDbXref } + OPTIONAL { ?entityOriginalUri rdfs:comment ?phenotypeDescription . } + + OPTIONAL { ?entityOriginalUri ?phenotypeOboDefinition . } + + # Tried to use identifiers.org + id for most classes. Use another service for that? + #BIND( if( ?entityType = bl:Cell , # Use identifiers.org for Cell + # iri(replace(?entityOriginalUri, "http://purl.obolibrary.org/obo/CL_", "http://identifiers.org/CL:")), + # iri(concat("http://identifiers.org/", ?phenotypeId) )) # ?entityOriginalUri + # AS ?phenotypeUri ) + + OPTIONAL { + ?entityOriginalUri rdfs:subClassOf ?entitySubClassOf . + FILTER (!isBlank(?entitySubClassOf)) + + # Tried to use identifiers.org IDs also + #?entityOriginalUri rdfs:subClassOf ?phenotypeBufferSubClassOf . + #?phenotypeBufferSubClassOf oboInOwl:id ?subClassOfId . + # Use identifiers.org + id for most classes + #BIND( if( ?entityType = bl:Cell , # Use identifiers.org for Cell + # iri(replace(?phenotypeBufferSubClassOf, "http://purl.obolibrary.org/obo/CL_", "http://identifiers.org/CL:")), + # iri(concat("http://identifiers.org/", ?subClassOfId))) # ?entityOriginalUri + # AS ?phenotypeSubClassOf ) + } + } + } +} \ No newline at end of file diff --git a/archived-datasets/mesh/config.yml b/archived-datasets/mesh/config.yml new file mode 100644 index 0000000..b3c672e --- /dev/null +++ b/archived-datasets/mesh/config.yml @@ -0,0 +1,51 @@ + +dataset_to_process: "mesh" + +## For XML workflows +# dir_to_process: +# class: Directory +# path: ../../workspace/input/mesh + +sparql_final_graph_uri: "https://w3id.org/d2s/graph/mesh" + +# R2RML params +input_data_jdbc: "jdbc:drill:drillbit=drill:31010" + +# tmp RDF4J server SPARQL endpoint to load generic RDF +sparql_tmp_triplestore_url: "http://virtuoso:8890/sparql" +# sparql_tmp_triplestore_url: "http://blazegraph:8082/bigdata/sparql" +sparql_tmp_triplestore_username: "dba" +sparql_tmp_triplestore_password: "dba" + +sparql_tmp_graph_uri: "https://w3id.org/d2s/graph/autor2rml" +# sparql_tmp_graph_uri: "https://w3id.org/d2s/graph/xml2rdf" +tmp_triplestore_container_id: "d2s-virtuoso" +tmp_triplestore_load_dir: "/usr/local/virtuoso-opensource/var/lib/virtuoso/db" + + +# Final RDF4J server SPARQL endpoint to load the BioLink RDF +sparql_final_triplestore_url: "http://graphdb:7200/repositories/covid-kg/statements" +sparql_tmp_service_url: "http://virtuoso:8890/sparql" +# sparql_tmp_service_url: "http://blazegraph:8082/bigdata/sparql" + +sparql_final_triplestore_username: "dba" +sparql_final_triplestore_password: "dba" + +# Split params +# split_property: "https://w3id.org/biolink/vocab/has_participant" +# split_class: "https://w3id.org/biolink/vocab/GeneGrouping" +# split_delimiter: "," +# split_quote: '"' + +sparql_transform_queries_path: "mapping" +sparql_insert_metadata_path: "metadata" + +cwl_workflow_filename: "virtuoso.cwl" + +config_dir: + class: Directory + path: . + +cwl_dir: + class: Directory + path: ../../d2s-core/cwl \ No newline at end of file diff --git a/archived-datasets/mesh/download/download.sh b/archived-datasets/mesh/download/download.sh new file mode 100755 index 0000000..a602896 --- /dev/null +++ b/archived-datasets/mesh/download/download.sh @@ -0,0 +1,8 @@ +#!/bin/bash + +wget -N ftp://ftp.nlm.nih.gov/online/mesh/rdf/mesh.nt.gz +wget -N ftp://ftp.nlm.nih.gov/online/mesh/rdf/void_1.0.0.ttl +wget -N ftp://ftp.nlm.nih.gov/online/mesh/rdf/vocabulary_1.0.0.ttl +wget -N ftp://ftp.nlm.nih.gov/online/mesh/rdf/service_description.ttl + +find . -name "*.gz" -exec gzip -d {} + > diff --git a/archived-datasets/mesh/mapping/README.md b/archived-datasets/mesh/mapping/README.md new file mode 100644 index 0000000..f7f53d5 --- /dev/null +++ b/archived-datasets/mesh/mapping/README.md @@ -0,0 +1 @@ +No mappings at the moment. \ No newline at end of file diff --git a/archived-datasets/mesh/metadata/metadata-template-0-summary.rq b/archived-datasets/mesh/metadata/metadata-template-0-summary.rq new file mode 100644 index 0000000..2aad85e --- /dev/null +++ b/archived-datasets/mesh/metadata/metadata-template-0-summary.rq @@ -0,0 +1,76 @@ +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: + +INSERT { + GRAPH { + + # Agent publishing the dataset + ?publisherUri a dct:Agent ; + foaf:name ?publisherName ; + foaf:page . + + # Summary + + rdf:type dctypes:Dataset; + dct:title "MeSH vocabulary" ; + idot:preferredPrefix "mesh" ; + dct:description "The Medical Subject Headings (MeSH) thesaurus is a controlled and hierarchically-organized vocabulary produced by the National Library of Medicine. It is used for indexing, cataloging, and searching of biomedical and health-related information. MeSH includes the subject headings appearing in MEDLINE/PubMed, the NLM Catalog, and other NLM databases."@en; + dct:publisher ?publisherUri ; + + # dct:license ; + # Human readable licenses terms + dct:rights """Source: U.S. National Library of Medicine."""@en ; + + # The homepage of the dataset + foaf:page ; + # schemaorg:logo ; + + dcat:accessURL ; + # Specify the directory containing the file(s) of interest (not the direct file URL) + + dct:references ; + # dcat:keyword "drugs" , "chemicals", "drug interactions" ; + # dcat:theme ncit:C48807 , ncit:C54708 ; + # Chemical, drug interaction + + # dct:accrualPeriodicity freq:annual ; + # frequency of update: annual baseline is released in December of each year + + void:sparqlEndpoint "https://graphdb.dumontierlab.com/repositories/covid-kg" . + + ## MAY + # dct:references ; # Supporting material as web pages and documents (use cito for publications) + # cito:citesAsAuthority ; # publications about the dataset + # rdfs:seeAlso ; + + # dct:hasPart ; # if the dataset has multiple different parts (e.g. one for Drugs, one for Phenotypes) + # dct:alternative "Alternative label for dataset" ; + # idot:alternatePrefix "alternative_prefix"; + + + ## Needs to be updated at new submission + #pav:hasCurrentVersion ; + } +} WHERE { + BIND(NOW() AS ?now) + BIND ( "National Institute of Health" as ?publisherName) + BIND ( iri(concat("https://w3id.org/d2s/agent/", md5(?publisherName))) AS ?publisherUri ) +} diff --git a/archived-datasets/mesh/metadata/metadata-template-1.rq b/archived-datasets/mesh/metadata/metadata-template-1.rq new file mode 100644 index 0000000..5b0cd9b --- /dev/null +++ b/archived-datasets/mesh/metadata/metadata-template-1.rq @@ -0,0 +1,160 @@ +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: + +INSERT { + GRAPH { + + # Agent publishing the RDF distribution + ?rdfPublisherUri a dct:Agent ; + foaf:name ?umidsName ; + foaf:page . + + # Version + ?versionUri + a dctypes:Dataset ; + dct:isVersionOf ?summaryUri ; + pav:version ?pavVersion ; + + dcat:distribution ; + dcat:accessURL ; + + ## MAY + # dct:references ; # Supporting material as web pages and documents (use cito for publications) + # cito:citesAsAuthority ; # publications about the dataset + # rdfs:seeAlso ; + + dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:license ?sourceLicense ; + dct:publisher ?sourcePublisher ; + idot:preferredPrefix ?idotPreferredPrefix ; + dct:language ?dctLanguage ; + + # TODO: should we put the date of the source release? + dct:issued ?now . + + # TODO: should we have a different license than the summary? + # dct:license ; + + # Same for creator and publisher, should it be HPO for the version? + # dct:creator ; + # dct:publisher ; + + ### RDF Distribution description + + a dcat:Distribution, void:Dataset ; + # TODO: should we use the same pav:version as the source for RDF distribution? + pav:version ?pavVersion ; + # TODO: and should we use the version in RDF distribution URI? After / or # ? + # # more convenient to do strafter() and extract version number + + # TODO: What should be data2services BioLink RDF license? + # dct:license ; + void:exampleResource ; + # TODO: should we point createdWith to the SPARQL mappings? Or d2s-cli URL? + pav:createdWith ; + + # Which publisher for RDF BioLink Dataset? IDS by default + dct:publisher ?rdfPublisherUri ; + dct:creator ?rdfPublisherUri ; + + dct:source ?distributionSourceUri ; + dct:language ?dctLanguage ; + void:vocabulary ; + + dcat:accessURL ; + dcat:downloadURL ; + void:dataDump ; + dcat:mediaType "application/n-quads" ; + + dct:title ?rdfDctTitle ; + dct:description ?rdfDctDistribution ; + dct:conformsTo ?hclsDataset ; + idot:preferredPrefix ?idotPreferredPrefix ; + dct:created ?now . + + # MAY + # pav:previousVersion ; + # idot:accessIdentifierPattern "^http://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL\\d+" ; + # idot:identifierPattern "CHEMBL\\d+"^^xsd:string ; + # void:uriRegexPattern "http://rdf.ebi.ac.uk/resource/chembl/target/CHEMBL\\d+" ; + # idot:accessPattern "http://identifiers.org/chembl.compound/"; + # idot:exampleIdentifier "CHEMBL_TC_4803"^^xsd:string ; + + ### Source distribution (non-RDF) description + ?distributionSourceUri + a dcat:Distribution ; + dct:format "application/n-triples" ; + dcat:downloadURL + ; + idot:exampleIdentifier "D007251"^^xsd:string ; + + # TODO: should we put issues? + + # TODO: Same publisher as source? + dct:publisher ?sourcePublisher ; + dct:creator ?sourcePublisher ; + pav:version ?pavVersion ; + + dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:rights ?dctRights ; + dct:license ?sourceLicense ; + idot:preferredPrefix ?idotPreferredPrefix ; + pav:retrievedOn ?now ; + dct:language ?dctLanguage ; + dct:conformsTo ?hclsDataset . + + # MAY + # pav:previousVersion ; + # idot:accessPattern "http://identifiers.org/drugbank:" ; + } +} WHERE { + # Version of the source dataset + BIND("1"^^xsd:string AS ?pavVersion) + + BIND( AS ?summaryUri) + BIND( AS ?dctLanguage) + + # Version of our RDF distribution version + BIND("1"^^xsd:string AS ?rdfPavVersion) + BIND(concat("N-Quads distribution of MeSH vocabulary build #", ?rdfPavVersion) AS ?rdfDctTitle) + BIND(concat("N-Quads distribution of MeSH vocabulary build #", ?rdfPavVersion, " produced by Data2Services on NOW()") AS ?rdfDctDescription) + + BIND(NOW() AS ?now) + # Get generic informations from summary + OPTIONAL { + ?summaryUri dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:license ?sourceLicense ; + dct:publisher ?sourcePublisher ; + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix . + } + + # Generates URIs from pav:version + BIND(iri(concat(str(?summaryUri), "/version#", str(?pavVersion))) AS ?versionUri) + BIND(iri(concat(str(?summaryUri), "/distribution/source#", str(?pavVersion))) AS ?distributionSourceUri) + BIND( AS ?hclsDataset) + + BIND ( "Institute of Data Science at Maastricht University" as ?umidsName) + BIND ( iri(concat("https://w3id.org/d2s/agent/", md5(?umidsName))) AS ?rdfPublisherUri ) +} diff --git a/archived-datasets/monarch/config.yml b/archived-datasets/monarch/config.yml new file mode 100644 index 0000000..6f3b3e5 --- /dev/null +++ b/archived-datasets/monarch/config.yml @@ -0,0 +1,50 @@ + +dataset_to_process: "monarch" + +## For XML workflows +# dir_to_process: +# class: Directory +# path: ../../workspace/input/monarch + +sparql_final_graph_uri: "https://w3id.org/d2s/graph/monarch" + +# Final RDF4J server SPARQL endpoint to load the BioLink RDF +sparql_final_triplestore_url: "http://graphdb:7200/repositories/monarch-initiative/statements" +sparql_final_triplestore_username: "dba" +sparql_final_triplestore_password: "dba" + + +# R2RML params +input_data_jdbc: "jdbc:drill:drillbit=drill:31010" + +# tmp RDF4J server SPARQL endpoint to load generic RDF +sparql_tmp_triplestore_url: "http://virtuoso:8890/sparql" +# sparql_tmp_triplestore_url: "http://blazegraph:8082/bigdata/sparql" +sparql_tmp_service_url: "http://virtuoso:8890/sparql" +# sparql_tmp_service_url: "http://blazegraph:8082/bigdata/sparql" +sparql_tmp_triplestore_username: "dba" +sparql_tmp_triplestore_password: "dba" + +sparql_tmp_graph_uri: "https://w3id.org/d2s/graph/autor2rml" +# sparql_tmp_graph_uri: "https://w3id.org/d2s/graph/xml2rdf" +tmp_triplestore_container_id: "d2s-virtuoso" +tmp_triplestore_load_dir: "/usr/local/virtuoso-opensource/var/lib/virtuoso/db" + +# Split params +# split_property: "https://w3id.org/biolink/vocab/has_participant" +# split_class: "https://w3id.org/biolink/vocab/GeneGrouping" +# split_delimiter: "," +# split_quote: '"' + +sparql_transform_queries_path: "mapping" +sparql_insert_metadata_path: "metadata" + +cwl_workflow_filename: "virtuoso.cwl" + +config_dir: + class: Directory + path: . + +cwl_dir: + class: Directory + path: ../../d2s-core/cwl \ No newline at end of file diff --git a/archived-datasets/monarch/download/download_examples.sh b/archived-datasets/monarch/download/download_examples.sh new file mode 100755 index 0000000..4fc7fa1 --- /dev/null +++ b/archived-datasets/monarch/download/download_examples.sh @@ -0,0 +1,67 @@ +#!/bin/bash + +#### Download files + +## SIMPLE DOWNLOAD only if file as changed +wget -N https://github.com/MaastrichtU-IDS/d2s-download/raw/master/datasets/stitch-sample/9606.protein_chemical.links.detailed.v5.0.tsv.gz + +## FTP DOWNLOAD recursively all files in ftp that have the given extension +wget -N -r -A gz -nH ftp://ftp.ncbi.nlm.nih.gov/pubchem/ + +## PROPERLY NAME RECURSIVE DIR created during download +wget -N -r -A ttl.gz -R reject_this -nH --cut-dirs=3 -P compound ftp://ftp.ncbi.nlm.nih.gov/pubchem/RDF/compound/general +# -nH to remove `ftp.ncbi.nlm.nih.gov` +# --cut-dirs=3 to remove `pubchem/RDF/compound` +# -P to store in the compound dir + +## HTML EXTRACT URL to an array +# Download simple HTML page and name it as index.html +wget -O index.html http://data.wikipathways.org/current/rdf/ +# Extract URLs from the HTML document to an array. Feel free to change the regex +array=( $(cat index.html | sed -r -n 's/.*((http|ftp)[^"]*?(\.zip|\.gz|\.csv|\.tsv|\.tar)).*/\1/p') ) +for var in "${array[@]}" +do + # Download each URL + wget -N ${var} +done + +## Manipulate array +# Remove file finishing by test.ttl from the array +array=( ${array[@]//*test.ttl/} ) +# Display array +( IFS=$'\n'; echo "${array[*]}" ) + + +#### Uncompress + +# ZIP +# Recursive in subdir +find . -name "*.zip" | while read filename; do unzip -o -d "`dirname "$filename"`/${filename%.*}" "$filename"; done; +# All in same dir +unzip -o \*.zip + + +#GZIP recusive in subdir +find . -name "*.gz" -exec gzip -d {} + > + +# UNTAR recursively all files in actual dir +find . -name "*.tar.gz" -exec tar -xzvf {} \; +find . -name "*.tgz" -exec tar -xzvf {} \; + +# Bz2 +find . -name "*.bz2" | while read filename; do bzip2 -f -d "$filename"; done; + + +#### Prepare files + +## RENAME EXTENSION (e.g.: txt in tsv) +rename s/\.txt/.tsv/ *.txt + +## REMOVE 4 FIRST LINES +sed -i -e '1,4d' my_file.txt + +## ADD COLUMNS NAME +# CSV +sed -i '1s/^/column1,column2,column3\n/' *.csv +# TSV +sed -i '1s/^/column1\tcolumn2\tcolumn3\n/' *.tsv \ No newline at end of file diff --git a/archived-datasets/monarch/download/import-graphdb.sh b/archived-datasets/monarch/download/import-graphdb.sh new file mode 100755 index 0000000..bc59d7a --- /dev/null +++ b/archived-datasets/monarch/download/import-graphdb.sh @@ -0,0 +1,34 @@ +#!/bin/bash + +GRAPHDB_TRIPLESTORE="https://graphdb.dumontierlab.com" +GRAPHDB_REPOSITORY="monarch-initiative" + +GRAPHDB_USERNAME="import_user" +GRAPHDB_PASSWORD="password" + +IMPORT_DIR="/data/graphdb-import" +GRAPHDB_WORKDIR="emonet/monarch" + +mkdir -p $IMPORT_DIR/$GRAPHDB_WORKDIR +cd $IMPORT_DIR/$GRAPHDB_WORKDIR + +# Download simple HTML page and name it as index.html +wget -O index.html https://archive.monarchinitiative.org/latest/rdf/ + +# Extract URLs from the HTML document to an array. +array=( $(cat index.html | sed -r -n 's/.*href="(.*?(\.nt|\.ttl))".*/\1/p') ) +for var in "${array[@]}" +do + # Download each file + wget -N https://archive.monarchinitiative.org/latest/rdf/${var} + + # Import to GraphDB + curl -X POST -u $GRAPHDB_USERNAME:$GRAPHDB_PASSWORD --header 'Content-Type: application/json' --header 'Accept: application/json' -d "{ + \"fileNames\": [ + \"$GRAPHDB_WORKDIR/${var}\" + ], + \"importSettings\": { + \"context\": \"https://w3id.org/d2s/dipper/graph/${var}\" + } + }" "$GRAPHDB_TRIPLESTORE/rest/data/import/server/$GRAPHDB_REPOSITORY" +done diff --git a/archived-datasets/monarch/mapping/csv_mapping.rml.ttl b/archived-datasets/monarch/mapping/csv_mapping.rml.ttl new file mode 100644 index 0000000..e73c496 --- /dev/null +++ b/archived-datasets/monarch/mapping/csv_mapping.rml.ttl @@ -0,0 +1,428 @@ +@prefix rr: . +@prefix foaf: . +@prefix xsd: . +@prefix rml: . +@prefix ql: . +@prefix bl: . +@prefix cohd: . +@base . + +# dataset_id concept_id_1 concept_id_2 concept_count concept_prevalence chi_square_t chi_square_p expected_count ln_ratio rel_freq_1 rel_freq_2 +# 3 2003351 4043182 39 2.251917e-05 7.670977e+02 7.687639e-169 1.915134e+00 3.013774e+00 1.300000e+00 3.527560e-04 +# 3 2003351 4078442 39 2.251917e-05 1.292931e+03 3.884704e-283 1.152185e+00 3.521902e+00 1.300000e+00 5.863427e-04 +# 3 2003351 4111798 39 2.251917e-05 1.797332e+03 0.000000e+00 8.336423e-01 3.845513e+00 1.300000e+00 8.103896e-04 + +<#MapAssociation> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/association/{dataset_id}_{concept_id_1}_{concept_id_2}"; + rr:class bl:Association ]; + rr:predicateObjectMap [ + rr:predicate bl:subject; + rr:objectMap [ rr:template "http://api.ohdsi.org/WebAPI/vocabulary/concept/{concept_id_1}" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:relation; + rr:objectMap bl:related_to + ]; + rr:predicateObjectMap [ + rr:predicate bl:id; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/association/{dataset_id}_{concept_id_1}_{concept_id_2}" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:subject; + rr:objectMap [ rr:template "http://api.ohdsi.org/WebAPI/vocabulary/concept/{concept_id_1}" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:object; + rr:objectMap [ rr:template "http://api.ohdsi.org/WebAPI/vocabulary/concept/{concept_id_2}" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:provided_by; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/provider/dataset/{dataset_id}" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_evidence; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}" ] + ] . + +<#MapEvidenceType> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}"; + rr:class bl:EvidenceType + ]; + rr:predicateObjectMap [ + rr:predicate bl:name ; + rr:objectMap [ rr:template "Count of co-occurences of the 2 concepts {dataset_id} and {concept_id_1} in COHD dataset {concept_id_2}" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:id; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_count; + rr:objectMap [ rml:reference "concept_count"; rr:datatype xsd:double ] + ]; + # rr:predicateObjectMap [ + # rr:predicate bl:has_total; + # rr:objectMap [ rml:reference "patient_count_in_dataset"; rr:datatype xsd:double ] + # ]; + rr:predicateObjectMap [ + rr:predicate bl:has_quotient; + rr:objectMap [ rml:reference "concept_prevalence"; rr:datatype xsd:double ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_attribute; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/ln_ratio" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_attribute; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/expected_count" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_attribute; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/subject_relative_frequency" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_attribute; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/object_relative_frequency" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_attribute; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/ttest" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_attribute; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/pvalue" ] + ]; + + rr:predicateObjectMap [ + rr:predicate bl:provided_by; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/provider/dataset/{dataset_id}" ] + ] . + +<#MapConceptCountAttribute> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/concept_count"; + rr:class bl:Attribute + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_attribute_type; + rr:object + # Use Count? http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C25463 + ]; + rr:predicateObjectMap [ + rr:predicate bl:id; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/concept_count" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:name ; + rr:objectMap [ rr:template "Count of co-occurences of concepts {concept_id_1} and {concept_id_2} in COHD dataset concept {dataset_id}" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_quantitative_value; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/concept_count/value" ] + ] . +<#MapConceptCountAttributeValue> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/concept_count/value"; + rr:class bl:QuantityValue + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_numeric_value; + rr:objectMap [ rml:reference "concept_count" ] + ] . + +<#MapConceptPrevalenceAttribute> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/concept_prevalence"; + rr:class bl:Attribute + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_attribute_type; + rr:object + # Use Prevalence? http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C17010 + ]; + rr:predicateObjectMap [ + rr:predicate bl:id; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/concept_prevalence" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:name ; + rr:objectMap [ rr:template "Prevalence of co-occurences of concepts {concept_id_1} and {concept_id_2} in COHD dataset concept {dataset_id}" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_quantitative_value; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/concept_prevalence/value" ] + ] . +<#MapConceptPrevalenceAttributeValue> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/concept_prevalence/value"; + rr:class bl:QuantityValue + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_numeric_value; + rr:objectMap [ rml:reference "concept_prevalence" ] + ] . + +<#MapTtestResultsAttribute> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/ttest"; + rr:class bl:Attribute + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_attribute_type; + rr:object + # Use T-test? http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C53231 + ]; + rr:predicateObjectMap [ + rr:predicate bl:id; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/ttest" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:name ; + rr:objectMap [ rr:template "t-Tests results of concepts {concept_id_1} and {concept_id_2} in COHD dataset concept {dataset_id}" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_quantitative_value; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/ttest/value" ] + ] . +<#MapTtestResultsAttributeValue> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/ttest/value"; + rr:class bl:QuantityValue + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_numeric_value; + rr:objectMap [ rml:reference "chi_square_t" ] + ] . + + +<#MapTtestPvalueAttribute> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/pvalue"; + rr:class bl:Attribute + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_attribute_type; + rr:object + # Use p-value? http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C53231 + ]; + rr:predicateObjectMap [ + rr:predicate bl:id; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/pvalue" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:name ; + rr:objectMap [ rr:template "t-Tests p-value of concepts {concept_id_1} and {concept_id_2} in COHD dataset concept {dataset_id}" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_quantitative_value; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/pvalue/value" ] + ] . +<#MapTtestPvalueAttributeValue> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/pvalue/value"; + rr:class bl:QuantityValue + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_numeric_value; + rr:objectMap [ rml:reference "chi_square_p" ] + ]. + +<#MapRelFreq1Attribute> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/subject_relative_frequency"; + rr:class bl:Attribute + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_attribute_type; + rr:object + # Use How often / Frequency? http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C118873 + ]; + rr:predicateObjectMap [ + rr:predicate bl:id; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/subject_relative_frequency" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:name ; + rr:objectMap [ rr:template "Frequency of concept {concept_id_1} relative to concept {concept_id_2} (count of patients with the 2 concepts divided by count of patients with only one)" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_quantitative_value; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/subject_relative_frequency/value" ] + ] . +<#MapRelFreq1AttributeValue> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/subject_relative_frequency/value"; + rr:class bl:QuantityValue + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_numeric_value; + rr:objectMap [ rml:reference "rel_freq_1" ] + ] . + +<#MapRelFreq2Attribute> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/object_relative_frequency"; + rr:class bl:Attribute + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_attribute_type; + rr:object + # Use How often / Frequency? http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C118873 + ]; + rr:predicateObjectMap [ + rr:predicate bl:id; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/object_relative_frequency" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:name ; + rr:objectMap [ rr:template "Frequency of concept {concept_id_2} relative to concept {concept_id_1} (count of patients with the 2 concepts divided by count of patients with only one)" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_quantitative_value; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/object_relative_frequency/value" ] + ] . +<#MapRelFreq2AttributeValue> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/object_relative_frequency/value"; + rr:class bl:QuantityValue + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_numeric_value; + rr:objectMap [ rml:reference "rel_freq_2" ] + ]. + +<#MapExpectedCountAttribute> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/expected_count"; + rr:class bl:Attribute + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_attribute_type; + rr:object + # Use Expected Value? http://semanticscience.org/resource/SIO_001021 + ]; + rr:predicateObjectMap [ + rr:predicate bl:id; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/expected_count" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:name ; + rr:objectMap [ rr:template "Expected count given the 2 concepts {concept_id_1} and {concept_id_2} are not associated in COHD dataset {dataset_id}" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_quantitative_value; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/expected_count/value" ] + ] . +<#MapExpectedCountAttributeValue> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/expected_count/value"; + rr:class bl:QuantityValue + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_numeric_value; + rr:objectMap [ rml:reference "expected_count" ] + ] . + +<#MapLnRatioAttribute> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/ln_ratio"; + rr:class bl:Attribute + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_attribute_type; + rr:object + ]; + rr:predicateObjectMap [ + rr:predicate bl:id; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/ln_ratio" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:name ; + rr:objectMap [ rr:template "Log of observed patients with the concept on the expected count for concepts {concept_id_1} and {concept_id_2} in COHD dataset {dataset_id}" ] + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_quantitative_value; + rr:objectMap [ rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/ln_ratio/value" ] + ] . +<#MapLnRatioAttributeValue> a rr:TriplesMap; + rml:logicalSource [ + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; + rml:referenceFormulation ql:CSV + ]; + rr:subjectMap [ + rr:template "https://w3id.org/trek/cohd/evidence/{dataset_id}_{concept_id_1}_{concept_id_2}/ln_ratio/value"; + rr:class bl:QuantityValue + ]; + rr:predicateObjectMap [ + rr:predicate bl:has_numeric_value; + rr:objectMap [ rml:reference "ln_ratio" ] + ]. \ No newline at end of file diff --git a/archived-datasets/monarch/mapping/json_mapping.rml.ttl b/archived-datasets/monarch/mapping/json_mapping.rml.ttl new file mode 100644 index 0000000..39eca0d --- /dev/null +++ b/archived-datasets/monarch/mapping/json_mapping.rml.ttl @@ -0,0 +1,56 @@ +@prefix rr: . +@prefix rml: . +@prefix rdf: . +@prefix rdfs: . +@prefix ql: . +@prefix bl: . +@prefix map: . + +### YARRRML https://rml.io/yarrrml/matey +# prefixes: +# ex: "http://example.com/" +# mappings: +# person: +# sources: +# - ['/mnt/workspace/input/drugbank/rml-test.json~jsonpath', '$.persons[*]'] +# s: http://example.com/$(firstname) +# po: +# - [a, foaf:Person] +# - [ex:first_name, $(firstname)] +# - [ex:last_name, $(lastname)] + +map:map_person_0 rml:logicalSource map:source_0; + a rr:TriplesMap; + rdfs:label "person"; + rr:subjectMap map:s_0; + rr:predicateObjectMap map:pom_0, map:pom_1, map:pom_2. +map:om_0 a rr:ObjectMap; + rr:constant "http://xmlns.com/foaf/0.1/Person"; + rr:termType rr:IRI. +map:om_1 a rr:ObjectMap; + rml:reference "firstname"; + rr:termType rr:Literal. +map:om_2 a rr:ObjectMap; + rml:reference "lastname"; + rr:termType rr:Literal. +map:pm_0 a rr:PredicateMap; + rr:constant rdf:type. +map:pm_1 a rr:PredicateMap; + rr:constant . +map:pm_2 a rr:PredicateMap; + rr:constant . +map:pom_0 a rr:PredicateObjectMap; + rr:predicateMap map:pm_0; + rr:objectMap map:om_0. +map:pom_1 a rr:PredicateObjectMap; + rr:predicateMap map:pm_1; + rr:objectMap map:om_1. +map:pom_2 a rr:PredicateObjectMap; + rr:predicateMap map:pm_2; + rr:objectMap map:om_2. +map:s_0 a rr:SubjectMap; + rr:template "http://example.com/{firstname}". +map:source_0 a rml:LogicalSource; + rml:source "/mnt/workspace/input/monarch/rml-test.json"; + rml:iterator "$.persons[*]"; + rml:referenceFormulation ql:JSONPath. diff --git a/support/template/dataset/mapping/sparql-csv-example.rq b/archived-datasets/monarch/mapping/sparql-csv-example.rq similarity index 100% rename from support/template/dataset/mapping/sparql-csv-example.rq rename to archived-datasets/monarch/mapping/sparql-csv-example.rq diff --git a/support/template/dataset/mapping/sparql-tsv-cohd_concepts.rq b/archived-datasets/monarch/mapping/sparql-tsv-cohd_concepts.rq similarity index 100% rename from support/template/dataset/mapping/sparql-tsv-cohd_concepts.rq rename to archived-datasets/monarch/mapping/sparql-tsv-cohd_concepts.rq diff --git a/support/template/dataset/mapping/sparql-xml-drugbank_drug_interaction.rq b/archived-datasets/monarch/mapping/sparql-xml-drugbank_drug_interaction.rq similarity index 100% rename from support/template/dataset/mapping/sparql-xml-drugbank_drug_interaction.rq rename to archived-datasets/monarch/mapping/sparql-xml-drugbank_drug_interaction.rq diff --git a/support/template/dataset/mapping/tsv_mapping.rml.ttl.bck b/archived-datasets/monarch/mapping/tsv_mapping.rml.ttl.bck similarity index 91% rename from support/template/dataset/mapping/tsv_mapping.rml.ttl.bck rename to archived-datasets/monarch/mapping/tsv_mapping.rml.ttl.bck index 0295e67..8522413 100644 --- a/support/template/dataset/mapping/tsv_mapping.rml.ttl.bck +++ b/archived-datasets/monarch/mapping/tsv_mapping.rml.ttl.bck @@ -16,7 +16,7 @@ # 3 2003351 4111798 39 2.251917e-05 1.797332e+03 0.000000e+00 8.336423e-01 3.845513e+00 1.300000e+00 8.103896e-04 <#CSVW_source> a csvw:Table; - csvw:url "/mnt/workspace/input/$dataset_id/paired_concept_counts_associations.tsv" ; + csvw:url "/mnt/workspace/input/monarch/paired_concept_counts_associations.tsv" ; csvw:dialect [ a csvw:Dialect; csvw:delimiter "\t" ; csvw:trim true; @@ -60,7 +60,7 @@ <#MapEvidenceType> a rr:TriplesMap; rml:logicalSource [ - rml:source "/mnt/workspace/input/$dataset_id/paired_concept_counts_associations.csv"; + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; rml:referenceFormulation ql:CSV ]; rr:subjectMap [ @@ -119,7 +119,7 @@ <#MapConceptCountAttribute> a rr:TriplesMap; rml:logicalSource [ - rml:source "/mnt/workspace/input/$dataset_id/paired_concept_counts_associations.csv"; + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; rml:referenceFormulation ql:CSV ]; rr:subjectMap [ @@ -145,7 +145,7 @@ ] . <#MapConceptCountAttributeValue> a rr:TriplesMap; rml:logicalSource [ - rml:source "/mnt/workspace/input/$dataset_id/paired_concept_counts_associations.csv"; + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; rml:referenceFormulation ql:CSV ]; rr:subjectMap [ @@ -159,7 +159,7 @@ <#MapConceptPrevalenceAttribute> a rr:TriplesMap; rml:logicalSource [ - rml:source "/mnt/workspace/input/$dataset_id/paired_concept_counts_associations.csv"; + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; rml:referenceFormulation ql:CSV ]; rr:subjectMap [ @@ -185,7 +185,7 @@ ] . <#MapConceptPrevalenceAttributeValue> a rr:TriplesMap; rml:logicalSource [ - rml:source "/mnt/workspace/input/$dataset_id/paired_concept_counts_associations.csv"; + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; rml:referenceFormulation ql:CSV ]; rr:subjectMap [ @@ -199,7 +199,7 @@ <#MapTtestResultsAttribute> a rr:TriplesMap; rml:logicalSource [ - rml:source "/mnt/workspace/input/$dataset_id/paired_concept_counts_associations.csv"; + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; rml:referenceFormulation ql:CSV ]; rr:subjectMap [ @@ -225,7 +225,7 @@ ] . <#MapTtestResultsAttributeValue> a rr:TriplesMap; rml:logicalSource [ - rml:source "/mnt/workspace/input/$dataset_id/paired_concept_counts_associations.csv"; + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; rml:referenceFormulation ql:CSV ]; rr:subjectMap [ @@ -240,7 +240,7 @@ <#MapTtestPvalueAttribute> a rr:TriplesMap; rml:logicalSource [ - rml:source "/mnt/workspace/input/$dataset_id/paired_concept_counts_associations.csv"; + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; rml:referenceFormulation ql:CSV ]; rr:subjectMap [ @@ -266,7 +266,7 @@ ] . <#MapTtestPvalueAttributeValue> a rr:TriplesMap; rml:logicalSource [ - rml:source "/mnt/workspace/input/$dataset_id/paired_concept_counts_associations.csv"; + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; rml:referenceFormulation ql:CSV ]; rr:subjectMap [ @@ -280,7 +280,7 @@ <#MapRelFreq1Attribute> a rr:TriplesMap; rml:logicalSource [ - rml:source "/mnt/workspace/input/$dataset_id/paired_concept_counts_associations.csv"; + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; rml:referenceFormulation ql:CSV ]; rr:subjectMap [ @@ -306,7 +306,7 @@ ] . <#MapRelFreq1AttributeValue> a rr:TriplesMap; rml:logicalSource [ - rml:source "/mnt/workspace/input/$dataset_id/paired_concept_counts_associations.csv"; + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; rml:referenceFormulation ql:CSV ]; rr:subjectMap [ @@ -320,7 +320,7 @@ <#MapRelFreq2Attribute> a rr:TriplesMap; rml:logicalSource [ - rml:source "/mnt/workspace/input/$dataset_id/paired_concept_counts_associations.csv"; + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; rml:referenceFormulation ql:CSV ]; rr:subjectMap [ @@ -346,7 +346,7 @@ ] . <#MapRelFreq2AttributeValue> a rr:TriplesMap; rml:logicalSource [ - rml:source "/mnt/workspace/input/$dataset_id/paired_concept_counts_associations.csv"; + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; rml:referenceFormulation ql:CSV ]; rr:subjectMap [ @@ -360,7 +360,7 @@ <#MapExpectedCountAttribute> a rr:TriplesMap; rml:logicalSource [ - rml:source "/mnt/workspace/input/$dataset_id/paired_concept_counts_associations.csv"; + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; rml:referenceFormulation ql:CSV ]; rr:subjectMap [ @@ -386,7 +386,7 @@ ] . <#MapExpectedCountAttributeValue> a rr:TriplesMap; rml:logicalSource [ - rml:source "/mnt/workspace/input/$dataset_id/paired_concept_counts_associations.csv"; + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; rml:referenceFormulation ql:CSV ]; rr:subjectMap [ @@ -400,7 +400,7 @@ <#MapLnRatioAttribute> a rr:TriplesMap; rml:logicalSource [ - rml:source "/mnt/workspace/input/$dataset_id/paired_concept_counts_associations.csv"; + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; rml:referenceFormulation ql:CSV ]; rr:subjectMap [ @@ -425,7 +425,7 @@ ] . <#MapLnRatioAttributeValue> a rr:TriplesMap; rml:logicalSource [ - rml:source "/mnt/workspace/input/$dataset_id/paired_concept_counts_associations.csv"; + rml:source "/mnt/workspace/input/monarch/paired_concept_counts_associations.csv"; rml:referenceFormulation ql:CSV ]; rr:subjectMap [ diff --git a/archived-datasets/monarch/mapping/xml_mapping.rml.ttl b/archived-datasets/monarch/mapping/xml_mapping.rml.ttl new file mode 100644 index 0000000..dc27dd6 --- /dev/null +++ b/archived-datasets/monarch/mapping/xml_mapping.rml.ttl @@ -0,0 +1,28 @@ +@prefix rr: . +@prefix rml: . +@prefix rdfs: . +@prefix ql: . +@prefix bl: . +@prefix d2s: . +@prefix xsd: . +@base . + +<#MapPubmedArticles> + a rr:TriplesMap; + + rml:logicalSource [ + rml:source "/mnt/workspace/input/monarch/drugbank.xml"; + rml:referenceFormulation ql:XPath; + rml:iterator "/drugbank/drug/general-references/articles/article"; + ]; + + rr:subjectMap [ + rr:template "https://identifiers.org/pubmed/{pubmed-id}"; + rr:class bl:Publication; + rr:graphMap [ rr:constant ]; + ]; + + rr:predicateObjectMap [ + rr:predicate bl:name; + rr:objectMap [ rml:reference "citation" ] + ]. \ No newline at end of file diff --git a/archived-datasets/monarch/metadata/metadata-template-0-summary.rq b/archived-datasets/monarch/metadata/metadata-template-0-summary.rq new file mode 100644 index 0000000..bc18b2d --- /dev/null +++ b/archived-datasets/monarch/metadata/metadata-template-0-summary.rq @@ -0,0 +1,76 @@ +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: + +INSERT { + GRAPH { + + # Agent publishing the dataset + ?publisherUri a dct:Agent ; + foaf:name ?publisherName ; + foaf:page . + + # Summary + + rdf:type dctypes:Dataset; + dct:title "Monarch Initiative" ; + idot:preferredPrefix "monarch" ; + dct:description "The Monarch Initiative is an integrative data and analytic platform connecting phenotypes to genotypes across species, bridging basic and applied research with semantics-based analysis. The correlation of phenotypic outcomes and disease with genetic variation and environmental factors is a core pursuit in biology and biomedicine. We have created or currently contribute to many essential bio-ontologies that together enable sophisticated and semantically integrated computational analysis across gene, genotype, variant, disease, and phenotype data. We have developed algorithms and tools that are in use by multiple communities for tasks including the identification of animal models of human disease through phenotypic similarity, phenotype-driven computational support for differential diagnostics, and translational research."@en; + dct:publisher ?publisherUri ; + + dct:license ; + # Human readable licenses terms + # dct:rights """Rights."""@en ; + + # The homepage of the dataset + foaf:page ; + # schemaorg:logo ; + + dcat:accessURL ; + # Specify the directory containing the file(s) of interest (not the direct file URL) + + dct:references ; + dcat:keyword "phenotypes" , "diseases", "genes" ; + dcat:theme ncit:C48807 , ncit:C54708 ; + # Chemical, drug interaction + + # dct:accrualPeriodicity freq:annual ; + # frequency of update: annual baseline is released in December of each year + + void:sparqlEndpoint "https://graphdb.dumontierlab.com/repositories/monarch-initiative" . + + ## MAY + # dct:references ; # Supporting material as web pages and documents (use cito for publications) + # cito:citesAsAuthority ; # publications about the dataset + # rdfs:seeAlso ; + + # dct:hasPart ; # if the dataset has multiple different parts (e.g. one for Drugs, one for Phenotypes) + # dct:alternative "Alternative label for dataset" ; + # idot:alternatePrefix "alternative_prefix"; + + + ## Needs to be updated at new submission + #pav:hasCurrentVersion ; + } +} WHERE { + BIND(NOW() AS ?now) + BIND ( "The Monarch Initiative" as ?publisherName) + BIND ( iri(concat("https://w3id.org/d2s/agent/", md5(?publisherName))) AS ?publisherUri ) +} diff --git a/archived-datasets/monarch/metadata/metadata-template-1.rq b/archived-datasets/monarch/metadata/metadata-template-1.rq new file mode 100644 index 0000000..e764ab2 --- /dev/null +++ b/archived-datasets/monarch/metadata/metadata-template-1.rq @@ -0,0 +1,160 @@ +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: + +INSERT { + GRAPH { + + # Agent publishing the RDF distribution + ?rdfPublisherUri a dct:Agent ; + foaf:name ?umidsName ; + foaf:page . + + # Version + ?versionUri + a dctypes:Dataset ; + dct:isVersionOf ?summaryUri ; + pav:version ?pavVersion ; + + dcat:distribution ; + dcat:accessURL ; + + ## MAY + # dct:references ; # Supporting material as web pages and documents (use cito for publications) + # cito:citesAsAuthority ; # publications about the dataset + # rdfs:seeAlso ; + + dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:license ?sourceLicense ; + dct:publisher ?sourcePublisher ; + idot:preferredPrefix ?idotPreferredPrefix ; + dct:language ?dctLanguage ; + + # TODO: should we put the date of the source release? + dct:issued ?now . + + # TODO: should we have a different license than the summary? + # dct:license ; + + # Same for creator and publisher, should it be HPO for the version? + # dct:creator ; + # dct:publisher ; + + ### RDF Distribution description + + a dcat:Distribution, void:Dataset ; + # TODO: should we use the same pav:version as the source for RDF distribution? + pav:version ?pavVersion ; + # TODO: and should we use the version in RDF distribution URI? After / or # ? + # # more convenient to do strafter() and extract version number + + # TODO: What should be data2services BioLink RDF license? + dct:license ; + void:exampleResource ; + # TODO: should we point createdWith to the SPARQL mappings? Or d2s-cli URL? + pav:createdWith ; + + # Which publisher for RDF BioLink Dataset? IDS by default + dct:publisher ?rdfPublisherUri ; + dct:creator ?rdfPublisherUri ; + + dct:source ?distributionSourceUri ; + dct:language ?dctLanguage ; + void:vocabulary ; + + dcat:accessURL ; + dcat:downloadURL ; + void:dataDump ; + dcat:mediaType "application/n-quads" ; + + dct:title ?rdfDctTitle ; + dct:description ?rdfDctDistribution ; + dct:conformsTo ?hclsDataset ; + idot:preferredPrefix ?idotPreferredPrefix ; + dct:created ?now . + + # MAY + # pav:previousVersion ; + # idot:accessIdentifierPattern "^http://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL\\d+" ; + # idot:identifierPattern "CHEMBL\\d+"^^xsd:string ; + # void:uriRegexPattern "http://rdf.ebi.ac.uk/resource/chembl/target/CHEMBL\\d+" ; + # idot:accessPattern "http://identifiers.org/chembl.compound/"; + # idot:exampleIdentifier "CHEMBL_TC_4803"^^xsd:string ; + + ### Source distribution (non-RDF) description + ?distributionSourceUri + a dcat:Distribution ; + dct:format "application/xml" ; + dcat:downloadURL + ; + idot:exampleIdentifier "DB00001"^^xsd:string ; + + # TODO: should we put issues? + + # TODO: Same publisher as source? + dct:publisher ?sourcePublisher ; + dct:creator ?sourcePublisher ; + pav:version ?pavVersion ; + + dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:rights ?dctRights ; + dct:license ?sourceLicense ; + idot:preferredPrefix ?idotPreferredPrefix ; + pav:retrievedOn ?now ; + dct:language ?dctLanguage ; + dct:conformsTo ?hclsDataset . + + # MAY + # pav:previousVersion ; + # idot:accessPattern "http://identifiers.org/drugbank:" ; + } +} WHERE { + # Version of the source dataset + BIND("1"^^xsd:string AS ?pavVersion) + + BIND( AS ?summaryUri) + BIND( AS ?dctLanguage) + + # Version of our RDF distribution version + BIND("1"^^xsd:string AS ?rdfPavVersion) + BIND(concat("N-Quads distribution of Monarch Initiative build #", ?rdfPavVersion) AS ?rdfDctTitle) + BIND(concat("N-Quads distribution of Monarch Initiative build #", ?rdfPavVersion, " produced by Data2Services on NOW()") AS ?rdfDctDescription) + + BIND(NOW() AS ?now) + # Get generic informations from summary + OPTIONAL { + ?summaryUri dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:license ?sourceLicense ; + dct:publisher ?sourcePublisher ; + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix . + } + + # Generates URIs from pav:version + BIND(iri(concat(str(?summaryUri), "/version#", str(?pavVersion))) AS ?versionUri) + BIND(iri(concat(str(?summaryUri), "/distribution/source#", str(?pavVersion))) AS ?distributionSourceUri) + BIND( AS ?hclsDataset) + + BIND ( "Institute of Data Science at Maastricht University" as ?umidsName) + BIND ( iri(concat("https://w3id.org/d2s/agent/", md5(?umidsName))) AS ?rdfPublisherUri ) +} diff --git a/archived-datasets/omop-drugbank/config.yml b/archived-datasets/omop-drugbank/config.yml new file mode 100644 index 0000000..540f0cd --- /dev/null +++ b/archived-datasets/omop-drugbank/config.yml @@ -0,0 +1,50 @@ + +## For Tabular files workflows +dataset_to_process: "omop-drugbank" + +sparql_final_graph_uri: "https://w3id.org/d2s/graph/omop-drugbank" + +# Final SPARQL endpoint to load the BioLink RDF +# Add /statements for RDF4J server like GraphDB +# sparql_final_triplestore_url: "https://graphdb.dumontierlab.com/repositories/trek/statements" +sparql_final_triplestore_url: "http://graphdb:7200/repositories/trek/statements" + +sparql_final_triplestore_username: "import_user" +sparql_final_triplestore_password: "dba" + +# R2RML params +input_data_jdbc: "jdbc:drill:drillbit=drill:31010" + +# Temporary triplestore (e.g. Virtuoso). TODO: improve +sparql_tmp_service_url: "http://tmp-virtuoso:8890/sparql" +# sparql_tmp_service_url: "http://blazegraph:8082/bigdata/sparql" + +sparql_tmp_triplestore_url: "http://tmp-virtuoso:8890/sparql" +# sparql_tmp_triplestore_url: "http://blazegraph:8082/bigdata/sparql" +sparql_tmp_triplestore_username: "dba" +sparql_tmp_triplestore_password: "dba" + +sparql_tmp_graph_uri: "https://w3id.org/d2s/graph/autor2rml" +# sparql_tmp_graph_uri: "https://w3id.org/d2s/graph/omop-drugbank" + +tmp_triplestore_container_id: "d2s-tmp-virtuoso" +tmp_triplestore_load_dir: "/usr/local/virtuoso-opensource/var/lib/virtuoso/db" + +# Split params +# split_property: "https://w3id.org/biolink/vocab/has_participant" +# split_class: "https://w3id.org/biolink/vocab/GeneGrouping" +# split_delimiter: "," +# split_quote: '"' + +sparql_transform_queries_path: "mapping" +sparql_insert_metadata_path: "metadata" + +cwl_workflow_filename: "csv-virtuoso.cwl" + +config_dir: + class: Directory + path: . + +cwl_dir: + class: Directory + path: ../../d2s-core diff --git a/archived-datasets/omop-drugbank/download/download.sh b/archived-datasets/omop-drugbank/download/download.sh new file mode 100755 index 0000000..c6afe18 --- /dev/null +++ b/archived-datasets/omop-drugbank/download/download.sh @@ -0,0 +1,6 @@ +#!/bin/bash + +# Download OMOP to DrugBank mappings +wget -N https://raw.githubusercontent.com/OHDSI/KnowledgeBase/master/LAERTES/terminology-mappings/RxNORM-to-UNII-PreferredName-To-DrugBank/rxnorm-drugbank-omop-mapping-CLEANED.tsv + +chmod 777 * diff --git a/archived-datasets/omop-drugbank/mapping/omop-drugbank-mappings.rq b/archived-datasets/omop-drugbank/mapping/omop-drugbank-mappings.rq new file mode 100644 index 0000000..ff3d77f --- /dev/null +++ b/archived-datasets/omop-drugbank/mapping/omop-drugbank-mappings.rq @@ -0,0 +1,37 @@ +PREFIX d2s: +PREFIX rdfs: +PREFIX owl: +PREFIX dc: +PREFIX dcterms: +PREFIX bl: +PREFIX w3idvocab: +INSERT { + GRAPH { + ?drugbank_uri a bl:Drug ; + bl:id ?drugbankId ; + bl:same_as ?omop_uri ; + bl:same_as ?rxnorm_uri . + + ?rxnorm_uri a bl:Drug ; + bl:id ?rxcui . + + ?omop_uri a bl:Drug ; + bl:id ?omopId . + } +} WHERE { + SERVICE { + GRAPH { + + ?row a ; + d2s:Rxcui ?rxcui ; + d2s:Conceptid ?omopId ; + d2s:Drugbank ?drugbankId . + + # Generate URI from ID + BIND ( iri(concat("https://identifiers.org/drugbank:", ?drugbankId)) AS ?drugbank_uri ) + BIND ( iri(concat("http://api.ohdsi.org/WebAPI/vocabulary/concept/", ?omopId)) AS ?omop_uri ) + BIND ( iri(concat("http://purl.bioontology.org/ontology/RXNORM/", ?rxcui)) AS ?rxnorm_uri ) + + } + } +} diff --git a/archived-datasets/omop-drugbank/metadata/metadata-template-0-summary.rq b/archived-datasets/omop-drugbank/metadata/metadata-template-0-summary.rq new file mode 100644 index 0000000..0b15ed0 --- /dev/null +++ b/archived-datasets/omop-drugbank/metadata/metadata-template-0-summary.rq @@ -0,0 +1,76 @@ +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: + +INSERT { + GRAPH { + + # Agent publishing the dataset + ?publisherUri a dct:Agent ; + foaf:name ?publisherName ; + foaf:page . + + # Summary + + rdf:type dctypes:Dataset; + dct:title "OMOP to DrugBank mappings" ; + idot:preferredPrefix "omop-drugbank" ; + dct:description "This mapping between Omop RxNorm concept IDs and DrugBank was generated on 04/04/2014 using code and data from the swat-4-med-safety projectThis mapping between Omop RxNorm concept IDs and DrugBank was generated on 04/04/2014 using code and data from the swat-4-med-safety project"@en; + dct:publisher ?publisherUri ; + + dct:license ; + # Human readable licenses terms + # dct:rights """Rights."""@en ; + + # The homepage of the dataset + foaf:page ; + # schemaorg:logo ; + + dcat:accessURL ; + # Specify the directory containing the file(s) of interest (not the direct file URL) + + dct:references ; + dcat:keyword "mapping" ; + dcat:theme ; + # ncit:C48807 Chemical, ncit:C54708 drug interaction + + # dct:accrualPeriodicity freq:annual ; + # frequency of update: annual baseline is released in December of each year + + void:sparqlEndpoint "https://graphdb.dumontierlab.com/repositories/trek" . + + ## MAY + # dct:references ; # Supporting material as web pages and documents (use cito for publications) + # cito:citesAsAuthority ; # publications about the dataset + # rdfs:seeAlso ; + + # dct:hasPart ; # if the dataset has multiple different parts (e.g. one for Drugs, one for Phenotypes) + # dct:alternative "Alternative label for dataset" ; + # idot:alternatePrefix "alternative_prefix"; + + + ## Needs to be updated at new submission + #pav:hasCurrentVersion ; + } +} WHERE { + BIND(NOW() AS ?now) + BIND ( "Boyce RD" as ?publisherName) + BIND ( iri(concat("https://w3id.org/d2s/agent/", md5(?publisherName))) AS ?publisherUri ) +} diff --git a/archived-datasets/omop-drugbank/metadata/metadata-template-1.rq b/archived-datasets/omop-drugbank/metadata/metadata-template-1.rq new file mode 100644 index 0000000..067548d --- /dev/null +++ b/archived-datasets/omop-drugbank/metadata/metadata-template-1.rq @@ -0,0 +1,163 @@ +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: + +INSERT { + GRAPH { + + # Agent publishing the RDF distribution + ?rdfPublisherUri a dct:Agent ; + foaf:name ?rdfPublisherName ; + foaf:page . + + # Version + ?versionUri + a dctypes:Dataset ; + dct:isVersionOf ?summaryUri ; + pav:version ?pavVersion ; + + dcat:distribution ; + # dcat:accessURL ; + + ## MAY + # dct:references ; # Supporting material as web pages and documents (use cito for publications) + # cito:citesAsAuthority ; # publications about the dataset + # rdfs:seeAlso ; + + dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:license ?sourceLicense ; + dct:publisher ?sourcePublisher ; + idot:preferredPrefix ?idotPreferredPrefix ; + dct:language ?dctLanguage ; + + # TODO: should we put the date of the source release? + dct:issued ?now . + + # TODO: should we have a different license than the summary? + # dct:license ; + + # Same for creator and publisher, should it be HPO for the version? + # dct:creator ; + # dct:publisher ; + + ### RDF Distribution description + + a dcat:Distribution, void:Dataset ; + # TODO: should we use the same pav:version as the source for RDF distribution? + pav:version ?pavVersion ; + # TODO: and should we use the version in RDF distribution URI? After / or # ? + # # more convenient to do strafter() and extract version number + + # TODO: What should be data2services BioLink RDF license? + dct:license ; + + # void:exampleResource ; + + # TODO: should we point createdWith to the SPARQL mappings? Or d2s-cli URL? + pav:createdWith ; + + # Which publisher for RDF BioLink Dataset? IDS by default + dct:publisher ?rdfPublisherUri ; + dct:creator ?rdfPublisherUri ; + + dct:source ?distributionSourceUri ; + dct:language ?dctLanguage ; + void:vocabulary ; + + # TODO: Use dcat:accessURL to specify a directory containing the file(s) of interest. + dcat:accessURL ; + dcat:downloadURL ; + void:dataDump ; + dcat:mediaType "application/n-quads" ; + + dct:title ?rdfDctTitle ; + dct:description ?rdfDctDistribution ; + dct:conformsTo ?hclsDataset ; + idot:preferredPrefix ?idotPreferredPrefix ; + dct:created ?now . + + # MAY + # pav:previousVersion ; + # idot:accessIdentifierPattern "^http://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL\\d+" ; + # idot:identifierPattern "CHEMBL\\d+"^^xsd:string ; + # void:uriRegexPattern "http://rdf.ebi.ac.uk/resource/chembl/target/CHEMBL\\d+" ; + # idot:accessPattern "http://identifiers.org/chembl.compound/"; + # idot:exampleIdentifier "CHEMBL_TC_4803"^^xsd:string ; + + ### Source distribution (non-RDF) description + ?distributionSourceUri + a dcat:Distribution ; + dct:format "text/tab-separated-values" ; + dcat:downloadURL ; + + # idot:exampleIdentifier "DB00001"^^xsd:string ; + + # TODO: should we put issues? + + # TODO: Same publisher as source? + dct:publisher ?sourcePublisher ; + dct:creator ?sourcePublisher ; + pav:version ?pavVersion ; + + dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:rights ?dctRights ; + dct:license ?sourceLicense ; + idot:preferredPrefix ?idotPreferredPrefix ; + pav:retrievedOn ?now ; + dct:language ?dctLanguage ; + dct:conformsTo ?hclsDataset . + + # MAY + # pav:previousVersion ; + # idot:accessPattern "http://identifiers.org/drugbank:" ; + } +} WHERE { + # Version of the source dataset + BIND("1"^^xsd:string AS ?pavVersion) + + BIND( AS ?summaryUri) + BIND( AS ?dctLanguage) + + # Version of our RDF distribution version + BIND("1"^^xsd:string AS ?rdfPavVersion) + BIND(concat("N-Quads distribution of OMOP to DrugBank mappings build #", ?rdfPavVersion) AS ?rdfDctTitle) + BIND(concat("N-Quads distribution of OMOP to DrugBank mappings build #", ?rdfPavVersion, " produced by Data2Services on NOW()") AS ?rdfDctDescription) + + BIND(NOW() AS ?now) + # Get generic informations from summary + OPTIONAL { + ?summaryUri dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:license ?sourceLicense ; + dct:publisher ?sourcePublisher ; + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix . + } + + # Generates URIs from pav:version + BIND(iri(concat(str(?summaryUri), "/version#", str(?pavVersion))) AS ?versionUri) + BIND(iri(concat(str(?summaryUri), "/distribution/source#", str(?pavVersion))) AS ?distributionSourceUri) + BIND( AS ?hclsDataset) + + BIND ( "Institute of Data Science at Maastricht University" as ?rdfPublisherName) + BIND ( iri(concat("https://w3id.org/d2s/agent/", md5(?rdfPublisherName))) AS ?rdfPublisherUri ) +} diff --git a/archived-datasets/omop-drugbank/process-omop-drugbank.ipynb b/archived-datasets/omop-drugbank/process-omop-drugbank.ipynb new file mode 100644 index 0000000..3e6581b --- /dev/null +++ b/archived-datasets/omop-drugbank/process-omop-drugbank.ipynb @@ -0,0 +1,104 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# Process OMOP to DrugBank mappings Data\n", + "\n", + "Jupyter Notebook to download and preprocess files to transform to BioLink RDF.\n", + "\n", + "### Download files\n", + "\n", + "The download can be defined:\n", + "* in this Jupyter Notebook using Python\n", + "* as a Bash script in the `download/download.sh` file, and executed using `d2s download omop-drugbank`\n", + "\n" + ] + }, + { + "cell_type": "code", + "execution_count": 9, + "metadata": {}, + "outputs": [], + "source": [ + "import os\n", + "\n", + "# Variables and path for the dataset\n", + "dataset_id = 'omop-drugbank'\n", + "input_folder = '/notebooks/workspace/input/' + dataset_id\n", + "mapping_folder = '/notebooks/datasets/' + dataset_id + '/mapping'\n", + "os.makedirs(input_folder, exist_ok=True)" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "# Use input folder as working folder\n", + "os.chdir(input_folder)\n", + "\n", + "# Download OMOP to DrugBank mappings\n", + "os.system('wget -N https://raw.githubusercontent.com/OHDSI/KnowledgeBase/master/LAERTES/terminology-mappings/RxNORM-to-UNII-PreferredName-To-DrugBank/rxnorm-drugbank-omop-mapping-CLEANED.tsv')" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Process and load concepts\n", + "\n", + "We will use CWL workflows to integrate data with SPARQL queries. The structured data is first converted to a generic RDF based on the data structure, then mapped to BioLink using SPARQL. The SPARQL queries are defined in `.rq` files and can be [accessed on GitHub](https://github.com/MaastrichtU-IDS/d2s-project-template/tree/master/datasets/omop-drugbank/mapping).\n", + "\n", + "Start the required services (here on our server, defined by the `-d trek` arg):\n", + "\n", + "```bash\n", + "d2s start tmp-virtuoso drill -d trek\n", + "```\n", + "\n", + "Run the following d2s command in the d2s-project folder:\n", + "\n", + "```bash\n", + "d2s run csv-virtuoso.cwl omop-drugbank\n", + "```\n", + "\n", + "[HCLS metadata](https://www.w3.org/TR/hcls-dataset/) can be computed for the omop-drugbank graph:\n", + "\n", + "```bash\n", + "d2s run compute-hcls-metadata.cwl omop-drugbank\n", + "```\n", + "\n", + "## Load the BioLink model\n", + "\n", + "Load the [BioLink model ontology as Turtle](https://github.com/biolink/biolink-model/blob/master/biolink-model.ttl) in the graph `https://w3id.org/biolink/biolink-model` in the triplestore\n", + "\n", + "## Link more concepts\n", + "\n", + "See https://github.com/OHDSI/Vocabulary-v5.0\n" + ] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 3", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.8.2" + } + }, + "nbformat": 4, + "nbformat_minor": 4 +} \ No newline at end of file diff --git a/archived-datasets/stitch/config.yml b/archived-datasets/stitch/config.yml new file mode 100644 index 0000000..6852743 --- /dev/null +++ b/archived-datasets/stitch/config.yml @@ -0,0 +1,41 @@ + +## Transform CSV + +input_dir: "stitch" + +# input_dir: +# class: Directory +# path: /data/d2s-workspace/input/stitch + +# R2RML params +input_data_jdbc: "jdbc:drill:drillbit=drill:31010" + +# tmp RDF4J server SPARQL endpoint to load generic RDF +sparql_tmp_triplestore_url: "http://virtuoso:8890/sparql" +sparql_tmp_service_url: "http://localhost:8890/sparql" +sparql_tmp_triplestore_username: dba +sparql_tmp_triplestore_password: dba + +sparql_tmp_graph_uri: "https://w3id.org/d2s/graph/autor2rml" +virtuoso_container_id: "d2s-virtuoso" + + +# Final RDF4J server SPARQL endpoint to load the BioLink RDF +sparql_final_triplestore_url: "http://virtuoso:8890/sparql" +sparql_final_triplestore_username: dba +sparql_final_triplestore_password: dba + +sparql_final_graph_uri: https://w3id.org/d2s/graph/biolink/stitch + +sparql_transform_queries_path: "mapping" +sparql_insert_metadata_path: "metadata" + +cwl_workflow_filename: csv-virtuoso.cwl + +config_dir: + class: Directory + path: . + +cwl_dir: + class: Directory + path: ../../d2s-core/cwl \ No newline at end of file diff --git a/archived-datasets/stitch/download/download.sh b/archived-datasets/stitch/download/download.sh new file mode 100755 index 0000000..8bc72a8 --- /dev/null +++ b/archived-datasets/stitch/download/download.sh @@ -0,0 +1,17 @@ +#!/bin/bash + +# Stitch: http://stitch.embl.de/cgi/download.pl + +# Chemical-chemical links +wget -N http://stitch.embl.de/download/chemical_chemical.links.v5.0.tsv.gz + + +# Protein-chemical links. Taking only for human specie at the moment to make it lighter (too big otherwise) +# wget -N http://stitch.embl.de/download/protein_chemical.links.detailed.v5.0.tsv.gz +# 32G + +# Only Human, 100M: +http://stitch.embl.de/download/protein_chemical.links.detailed.v5.0/9606.protein_chemical.links.detailed.v5.0.tsv.gz + + +find . -name "*.gz" -exec gzip -d {} + \ No newline at end of file diff --git a/archived-datasets/stitch/mapping/insert-stitch.rq b/archived-datasets/stitch/mapping/insert-stitch.rq new file mode 100644 index 0000000..bcff178 --- /dev/null +++ b/archived-datasets/stitch/mapping/insert-stitch.rq @@ -0,0 +1,50 @@ +PREFIX d2smodel: +PREFIX rdfs: +PREFIX owl: +PREFIX dc: +PREFIX dcterms: +PREFIX bl: +PREFIX w3idvocab: +INSERT +{ + GRAPH { + ?chemical1Uri a bl:ChemicalSubstance ; + bl:id ?chemical1Curie . + ?chemical2Uri a bl:ChemicalSubstance ; + bl:id ?chemical2Curie . + + # Drug drug interaction + ?associationUri a bl:ChemicalToThingAssociation ; + bl:relation bl:affects_activity_of ; + bl:subject ?chemical1Uri ; + bl:object ?chemical2Uri ; + bl:provided_by ; + bl:has_confidence_level ?ConfidenceLevelUri . + ?ConfidenceLevelUri a bl:ConfidenceLevel ; + bl:id "text mining score" ; + bl:name "Text mining score" ; + bl:node_property ?textminingScore . + + } +} +WHERE { + SERVICE { + GRAPH { + # Transform https://stringdb-static.org/download/protein.actions.v10.5/9606.protein.actions.v10.5.txt.gz + + # CIDs is a stereo-specific compound, and the suffix is the PubChem compound id. + # CIDm is a "flat" compound, i.e. with merged stereo-isomers. The suffix is the PubChem compound id. + ?s d2smodel:Chemical1 ?chemical1 ; # e.g. CIDm00024759 or CIDs91758695 + d2smodel:Chemical2 ?chemical2 ; + d2smodel:Textmining ?textminingScore . # integer score (e.g. 471) + + BIND ( iri(concat("https://w3id.org/d2s/data/stitch/interaction/", md5(concat(?chemical1, ?chemical2, ?textminingScore)) )) AS ?associationUri ) + BIND ( iri(replace(?chemical1, "CID[ms]", "https://identifiers.org/pubchem.compound:")) AS ?chemical1Uri ) + BIND ( iri(replace(?chemical2, "CID[ms]", "https://identifiers.org/pubchem.compound:")) AS ?chemical2Uri ) + BIND ( iri(replace(?chemical1, "CID[ms]", "pubchem.compound:")) AS ?chemical1Curie ) + BIND ( iri(replace(?chemical2, "CID[ms]", "pubchem.compound:")) AS ?chemical2Curie ) + BIND ( iri(concat(str(?associationUri), "/confidence")) AS ?ConfidenceLevelUri ) + + } + } +} \ No newline at end of file diff --git a/archived-datasets/stitch/metadata/00-insert-metadata-summary-stitch.rq b/archived-datasets/stitch/metadata/00-insert-metadata-summary-stitch.rq new file mode 100644 index 0000000..b513be6 --- /dev/null +++ b/archived-datasets/stitch/metadata/00-insert-metadata-summary-stitch.rq @@ -0,0 +1,118 @@ +#BASE +#PREFIX : +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: + + +PREFIX bl: +PREFIX dqv: +PREFIX hcls: +PREFIX d2sdata: + +### TODO: fix, use DrugBank as example + +# Complete example at https://www.w3.org/TR/hcls-dataset/#appendix_1 + +INSERT { + GRAPH + { + ### Summary Level (Complete) + ?summaryUri + rdf:type dctypes:Dataset ; # MUST + + ### General informations + dct:title ?dctTitle ; + dct:alternative ?dctAlternative ; + dct:description ?dctDescription ; + dct:publisher ?dctPublisher ; + + foaf:page ?foafPage ; + schemaorg:logo ?schemaorgLogo ; + + dct:license ?dctLicense ; + dct:rights ?dctRights ; + + dcat:theme ?dcatTheme ; #chemical + dcat:keyword ?dcatKeyword ; + + rdfs:seeAlso ?rdfsSeeAlso ; + cito:citesAsAuthority ?citoCitesAsAuthority ; + dct:hasPart ?dctHasPart ; + + ### Identifiers + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix ; + + ### Provenance and Change + #pav:hasCurrentVersion ?pavHasCurrentVersion ; + dct:accrualPeriodicity ?dctAccrualPeriodicity ; + + ### Availability/Distributions + dcat:accessURL ?dcatAccessURL ; # May. Use this to define the graph (A landing page, feed, SPARQL endpoint or other type of resource that gives access to the distribution of the dataset) + void:sparqlEndpoint ?sparqlEndpoint # Should. Only in summary + . + + ?dctPublisher a dct:Agent ; + foaf:name ?dctPublisherName ; + foaf:page ?dctPublisherPage + . + } +} +WHERE +{ + ##### User input + + ### MUST + BIND( AS ?summaryUri) # user input + # Careful, ido uses it as void:uriSpace for a dcat:CatalogRecord + + BIND("stitch database"@en AS ?dctTitle) # user input + BIND("Protein-Protein Interaction Networks. stitch is a database of known and predicted protein-protein interactions. The interactions include direct (physical) and indirect (functional) associations; they stem from computational prediction, from knowledge transfer between organisms, and from interactions aggregated from other (primary) databases."@en AS ?dctDescription) # user input + + # Use https://orcid.org/ for researchers when possible or generate a new agent URI (like here) + BIND("EMBL European Molecular Biology Laboratory" AS ?dctPublisherName) # Optional, to store publisher name in our graph if the URI already resolves + BIND( AS ?dctPublisherPage) # Optional, to store publisher info in our graph if the URI already resolves + BIND(iri(concat("https://w3id.org/d2s/agent/", md5(?dctPublisherName))) AS ?dctPublisher) + + BIND("stitch" AS ?idotPreferredPrefix) # Usually a May but required for data2services since it used as source ID to generate the graph URI. + + BIND( AS ?voidSparqlEndpoint) # Usually a Should but required for data2services. + + + ### SHOULD + BIND( AS ?foafPage) + #BIND(iri("http://www.ebi.ac.uk/rdf/sites/ebi.ac.uk.rdf/files/resize/images/rdf/chembl_service_logo-146x48.gif") AS ?schemaorgLogo) + #BIND(freq:quarterly AS ?dctAccrualPeriodicity) # Use freq: + + + ### MAY + #BIND("Alternative label for dataset" AS ?dctAlternative) + #BIND(iri("http://creativecommons.org/licenses/by-sa/3.0/") AS ?dctLicense) # See https://www.genenames.org/about/ + #BIND("The data in ChEMBL is covered by the Creative Commons By Attribution." AS ?dctRights) + #BIND(ncit:C48807 AS ?dcatTheme) # uri. Example is chemical + #VALUES (?dcatKeyword) { ( "assay" ) ( "chemical" ) } # array + #BIND(iri("http://en.wikipedia.org/wiki/ChEMBL") AS ?rdfsSeeAlso) # uri + #BIND(iri("http://nar.oxfordjournals.org/content/40/D1/D1100") AS ?citoCitesAsAuthority) # uri + #VALUES (?dctHasPart) { ( :chembl17_rdf_molecule_dataset ) ( :chembl17_rdf_target_dataset ) } # uri array of distributions + #BIND("chembldb" AS ?idotAlternatePrefix) # string + + #BIND(iri("https://w3id.org/d2s/dataset/drugbank/version#1") AS ?pavHasCurrentVersion) # We will automatically generate it, atm only using isVersionOf in the version item +} \ No newline at end of file diff --git a/archived-datasets/stitch/metadata/01-insert-metadata-distribution-stitch.rq b/archived-datasets/stitch/metadata/01-insert-metadata-distribution-stitch.rq new file mode 100644 index 0000000..c7fc90a --- /dev/null +++ b/archived-datasets/stitch/metadata/01-insert-metadata-distribution-stitch.rq @@ -0,0 +1,386 @@ +BASE +PREFIX : +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: +PREFIX bl: +PREFIX dqv: +PREFIX hcls: +PREFIX d2sdata: + + +# Complete example at https://www.w3.org/TR/hcls-dataset/#appendix_1 + +INSERT { + GRAPH { + + ?dctPublisher a dct:Agent ; + foaf:name ?dctPublisherName ; + foaf:page ?dctPublisherPage + . + + ?dctCreator a dct:Agent ; + foaf:name ?dctCreatorName + . + + ?dctPublisherRdf a dct:Agent ; + foaf:name ?dctPublisherNameRdf ; + foaf:page ?dctPublisherPageRdf + . + + ?dctCreatorRdf a dct:Agent ; + foaf:name ?dctCreatorNameRdf + . + + ### Version Level (Complete) + ?versionUri + rdf:type dctypes:Dataset ; # MUST + + ### General informations + dct:title ?dctTitleVersion ; + dct:alternative ?dctAlternative ; + dct:description ?dctDescription ; + + + dct:created ?dctCreated; + dct:creator ?dctCreator ; + dct:publisher ?dctPublisher ; + + ### Additional dates and actors + pav:createdOn ?pavCreatedOn ; + pav:authoredOn ?pavAuthoredOn; + pav:curatedOn ?pavCuratedOn ; + dct:contributor ?dctContributor ; + pav:createdBy ?pavCreatedBy ; + pav:authoredBy ?pavAuthoredBy ; + pav:curatedBy ?pavCuratedBy ; + dct:issued ?dctIssued ; + + foaf:page ?foafPage ; + schemaorg:logo ?schemaorgLogo ; + + dct:license ?dctLicense ; + dct:rights ?dctRights ; + + dct:language ?dctLanguage ; + dcat:theme ?dcatTheme ; #chemical + dcat:keyword ?dcatKeyword ; + void:vocabulary ?voidVocabulary ; + dct:conformsTo ?dctConformsTo ; + dct:references ?dctReferences ; + + rdfs:seeAlso ?rdfsSeeAlso ; + cito:citesAsAuthority ?citoCitesAsAuthority ; + dct:hasPart ?dctHasPart ; + + ### Identifiers + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix ; + + ### Provenance and Change + pav:version ?pavVersion ; + dct:isVersionOf ?summaryUri ; + pav:previousVersion ?pavPreviousVersion ; + dct:source ?dctSource ; + #pav:retrievedFrom ?dctSource ; + #prov:wasDerivedFrom ?dctSource ; + + #Availability/Distributions + dcat:distribution ?distributionRdfUri, ?distributionSourceUri ; + dcat:accessURL ?dcatAccessURL ; + dcat:landingPage ?dcatLandingPage + . + + + ### Distribution (non-RDF) description (Complete) + ?distributionSourceUri + a dctypes:Dataset, dcat:Distribution ; + ### General informations + dct:title ?sourceDistributionTitle ; + dct:alternative ?dctAlternative ; + dct:description ?dctDescription ; + + dct:created ?dctCreated ; + dct:creator ?dctCreator ; + dct:publisher ?dctPublisher ; + + ### Additional dates and actors + pav:createdOn ?pavCreatedOn ; + pav:authoredOn ?pavAuthoredOn ; + pav:curatedOn ?pavCuratedOn ; + dct:contributor ?dctContributor ; + pav:createdBy ?pavCreatedBy ; + pav:authoredBy ?pavAuthoredBy ; + pav:curatedBy ?pavCuratedBy ; + dct:issued ?dctIssued ; + + foaf:page ?foafPage ; + schemaorg:logo ?schemaorgLogo ; + + dct:license ?dctLicense ; + dct:rights ?dctRights ; + + dct:language ?dctLanguage ; + dcat:theme ?dcatTheme ; #chemical + dcat:keyword ?dcatKeyword ; + + dct:conformsTo ?dctConformsTo ; + dct:references ?dctReferences ; + + rdfs:seeAlso ?rdfsSeeAlso ; + cito:citesAsAuthority ?citoCitesAsAuthority ; + dct:hasPart ?dctHasPart ; + + ### Identifiers + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix ; + idot:identifierPattern ?idotIdentifierPatternSource ; + idot:accessPattern ?idotAccessPatternSource ; + idot:exampleIdentifier ?idotExampleIdentifier ; + + ### Provenance and Change + pav:version ?pavVersion ; + pav:previousVersion ?pavPreviousVersion ; + dct:source ?dctSource ; + #pav:retrievedFrom ?dctSource ; + #prov:wasDerivedFrom ?dctSource ; + pav:createdWith ?pavCreatedWith ; + + #Availability/Distributions + dct:format ?dctFormatSource ; + dcat:accessURL ?dcatAccessURLSource ; + dcat:landingPage ?dcatLandingPageSource ; + dcat:downloadURL ?dcatDownloadURLSource ; + dcat:downloadURL ?dcatDownloadURLSource2 ; + dcat:byteSize ?dcatByteSize + . + + ### RDF Distribution description (Complete) + ?distributionRdfUri + a dctypes:Dataset, dcat:Distribution, void:Dataset ; + ### General informations + dct:title ?rdfDistributionTitle ; + dct:alternative ?dctAlternative ; + dct:description ?dctDescription ; + + dct:created ?dctCreatedRdf ; + dct:creator ?dctCreatorRdf ; + dct:publisher ?dctPublisherRdf ; + + ### Additional dates and actors + pav:createdOn ?pavCreatedOnRdf ; + pav:authoredOn ?pavAuthoredOnRdf; + pav:curatedOn ?pavCuratedOnRdf ; + dct:contributor ?dctContributorRdf ; + pav:createdBy ?pavCreatedByRdf ; + pav:authoredBy ?pavAuthoredByRdf ; + pav:curatedBy ?pavCuratedByRdf ; + dct:issued ?dctIssuedRdf ; + + foaf:page ?foafPage ; + schemaorg:logo ?schemaorgLogo ; + + dct:license ?dctLicense ; + dct:rights ?dctRights ; + + dct:language ?dctLanguage ; + dcat:theme ?dcatTheme ; #chemical + dcat:keyword ?dcatKeyword ; + + dct:conformsTo ?dctConformsTo ; + dct:references ?dctReferences ; + + rdfs:seeAlso ?rdfsSeeAlso ; + cito:citesAsAuthority ?citoCitesAsAuthority ; + void:subset ?voidSubset ; + + ### Identifiers + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix ; + idot:identifierPattern ?idotIdentifierPatternRdf ; + idot:accessPattern ?idotAccessPatternRdf ; + idot:exampleIdentifier ?idotExampleIdentifier ; + void:exampleResource ?voidExampleResourceRdf ; + + ### Provenance and Change + sio:has-data-item ?sioHasDataItem ; + pav:version ?pavVersionRdf ; + pav:previousVersion ?pavPreviousVersionRdf ; + dct:source ?dctSource ; + #pav:retrievedFrom ?dctSource ; + #prov:wasDerivedFrom ?dctSource ; + pav:createdWith ?pavCreatedWithRdf ; + + #Availability/Distributions + dct:format ?dctFormatRdf ; + dcat:accessURL ?dcatAccessURL ; + dcat:landingPage ?dcatLandingPageRdf ; + dcat:downloadURL ?dcatDownloadURLRdf ; + void:dataDump ?voidDataDump + . + + } +} +WHERE +{ + BIND( AS ?summaryUri) # user input. Careful, for drugbank ido uses it as void:uriSpace for a dcat:CatalogRecord + BIND("5.0"^^xsd:string AS ?pavVersion) # Increment it from the latest version? Or user input + BIND("1.0"^^xsd:string AS ?pavVersionRdf) # Increment it from the latest version? Or user input + + # Define the graph (A landing page, feed, SPARQL endpoint or other type of resource that gives access to the distribution of the dataset) + BIND(iri("https://w3id.org/d2s/graph/biolink/stitch") AS ?dcatAccessURL) # May. uri + + OPTIONAL { + ?summaryUri dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:license ?dctLicense ; + dct:publisher ?dctPublisher ; + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix . + } + + # Needs to be at the beginning + BIND(iri(concat(str(?summaryUri), "version#", str(?pavVersion))) AS ?versionUri) + #getsum: BIND(iri("http://test/") AS ?versionUri) + BIND(iri(concat(str(?summaryUri), "distribution/source#", str(?pavVersion))) AS ?distributionSourceUri) + BIND(iri(concat(str(?summaryUri), "distribution/rdf#", str(?pavVersionRdf))) AS ?distributionRdfUri) + + + ##### User input + + ############## + #### MUST #### + ############## + + + # Use https://orcid.org/ for researchers when possible or generate a new agent URI (like here) + #BIND("DrugBank" AS ?dctPublisherName) # Optional if external URI, to store publisher name in our graph if the URI already resolves + #BIND( AS ?dctPublisherPage) # Optional, to store publisher info in our graph if the URI already resolves + #BIND(iri(concat("https://w3id.org/d2s/agent/", md5(?dctPublisherName))) AS ?dctPublisher) # Get from summary. But let the possibility to redefine it for a dataset + + BIND("HUGO Gene Nomenclature Committee at the European Bioinformatics Institute" AS ?dctCreatorName) # Optional if external URI, to store creator name in our graph if the URI already resolves + BIND(iri(concat("https://w3id.org/d2s/agent/", md5(?dctCreatorName))) AS ?dctCreator) + + #BIND(iri("http://creativecommons.org/licenses/by-sa/3.0/") AS ?dctLicense) # Get from summary. But let the possibility to redefine it for a dataset + + + ## Source Distribution + BIND(concat(?versionTitle, " Database Distribution") AS ?sourceDistributionTitle) + BIND("text/tab-separated-values" AS ?dctFormatSource) + + ## RDF Distribution + BIND(concat(?versionTitle, " RDF Distribution") AS ?rdfDistributionTitle) + BIND(concat("Converted to BioLink RDF using data2services framework. ", ?description) AS ?rdfDistributionDescription) + VALUES (?dctFormatRdf) { ( ) ( "application/n-quads" ) ( "application/rdf+xml" ) ( "application/n3" ) ( "application/ld+json" ) ( "text/turtle" ) } + BIND("Institute of Data Science at Maastricht University" AS ?dctPublisherNameRdf) # Optional if external URI, to store publisher name in our graph if the URI already resolves + BIND( AS ?dctPublisherPageRdf) # Optional, to store publisher info in our graph if the URI already resolves + BIND(iri(concat("https://w3id.org/d2s/agent/", md5(?dctPublisherNameRdf))) AS ?dctPublisherRdf) + + BIND("Institute of Data Science at Maastricht University" AS ?dctCreatorNameRdf) # Optional if external URI, to store creator name in our graph if the URI already resolves + BIND(iri(concat("https://w3id.org/d2s/agent/", md5(?dctCreatorNameRdf))) AS ?dctCreatorRdf) + + + ############## + ### SHOULD ### + ############## + + #BIND("2013-08"^^xsd:gYearMonth AS ?dctCreated) + BIND("2017-05-14"^^xsd:date AS ?dctIssued) # Same for version and source distribution + #BIND(iri("http://www.ebi.ac.uk/chembl/") AS ?foafPage) + #BIND(iri("http://www.ebi.ac.uk/rdf/sites/ebi.ac.uk.rdf/files/resize/images/rdf/chembl_service_logo-146x48.gif") AS ?schemaorgLogo) + BIND( AS ?dctLanguage) + #BIND( AS ?pavPreviousVersion) + #BIND(:pubchem-bioassay-09-01-2014 AS ?dctSource) + + ## Source distribution + BIND( AS ?dcatDownloadURLSource) # user input + BIND( AS ?dcatDownloadURLSource2) # user input + #BIND("1"^^xsd:string AS ?pavVersionSource) # user input + #BIND( AS ?pavPreviousVersion) + #BIND( AS ?pavCreatedWith ) + #BIND( AS ?dcatDownloadURLSource ) + #BIND("861443887"^^xsd:decimal AS ?dcatByteSize ) + + ## RDF distribution + BIND(now() AS ?dctIssuedRdf) + BIND( AS ?voidVocabulary) + #BIND( AS ?pavPreviousVersionRdf) + BIND( AS ?dcatLandingPageRdf) + BIND( AS ?pavCreatedWithRdf ) + BIND( AS ?dcatDownloadURLRdf) + BIND( AS ?voidDataDump ) + + + ############# + #### MAY #### + ############# + + BIND( AS ?dctConformsTo) # constant. uri + BIND("ENSP00000000233"^^xsd:string AS ?idotExampleIdentifier) + + #BIND("Alternative label for dataset" AS ?dctAlternative) + #BIND("The data in ChEMBL is covered by the Creative Commons By Attribution." AS ?dctRights) + #BIND( AS ?dcatLandingPage) + + # Additional dates and actors. Same for version and RDF distribution + #BIND("2013-08"^^xsd:gYearMonth AS ?pavCreatedOn) + #BIND("2013-08"^^xsd:gYearMonth AS ?pavAuthoredOn) + #BIND("2013-08"^^xsd:gYearMonth AS ?pavCuratedOn) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?dctContributor) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavCreatedBy) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavIssuedBy) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavAuthoredBy) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavCuratedBy) + + ## Source + #BIND( AS ?dcatAccessURLSource) + #BIND( AS ?dcatLandingPageSource) + + #BIND(ncit:C48807 AS ?dcatTheme) # uri. Example is chemical + #VALUES (?dcatKeyword) { ( "assay" ) ( "chemical" ) } # array + #BIND(iri("http://dx.doi.org/10.1093/bioinformatics/btt765") AS ?dctReferences) # uri + #BIND(iri("http://en.wikipedia.org/wiki/ChEMBL") AS ?rdfsSeeAlso) # uri + #BIND(iri("http://nar.oxfordjournals.org/content/40/D1/D1100") AS ?citoCitesAsAuthority) # uri + #VALUES (?dctHasPart) { ( :chembl17_rdf_molecule_dataset ) ( :chembl17_rdf_target_dataset ) } # uri array of distributions + + #BIND("CHEMBL\\d+"^^xsd:string AS ?idotIdentifierPatternSource) + #VALUES (?idotAccessPatternSource) { ( "http://bio2rdf.org/chembl ) ( "http://identifiers.org/chembl.compound/" ) } # array + + ## RDF distribution + BIND( AS ?voidExampleResourceRdf) # TODO: automate + BIND( AS ?sioHasDataItem) + #VALUES (?voidSubset) { ( :chembl17_rdf_molecule_dataset ) ( :chembl17_rdf_target_dataset ) } # uri array of distributions + #BIND("CHEMBL\\d+"^^xsd:string AS ?idotIdentifierPatternRdf) + #VALUES (?idotAccessPatternRdf) { ( "http://bio2rdf.org/chembl ) ( "http://identifiers.org/chembl.compound/" ) } # array + + # Additional dates and actors + #BIND("2013-08"^^xsd:gYearMonth AS ?pavCreatedOnRdf) + #BIND("2013-08"^^xsd:gYearMonth AS ?pavAuthoredOnRdf) + #BIND("2013-08"^^xsd:gYearMonth AS ?pavCuratedOnRdf) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?dctContributorRdf) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavCreatedByRdf) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavIssuedByRdf) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavAuthoredByRdf) + #BIND(iri("http://orcid.org/0000-0002-8011-0300") AS ?pavCuratedByRdf) + + # TODO: Automate those + +} + diff --git a/archived-datasets/string/config.yml b/archived-datasets/string/config.yml new file mode 100644 index 0000000..2697c92 --- /dev/null +++ b/archived-datasets/string/config.yml @@ -0,0 +1,56 @@ + +dataset_to_process: "string" + +## For XML workflows +# dir_to_process: +# class: Directory +# path: ../../workspace/input/string + +sparql_final_graph_uri: "https://w3id.org/d2s/graph/string" + + +# Final SPARQL endpoint to load the BioLink RDF +# Add /statements for RDF4J server like GraphDB +sparql_final_triplestore_url: "https://graphdb.dumontierlab.com/repositories/ncats-red-kg/statements" +# sparql_final_triplestore_url: "http://graphdb:7200/repositories/demo/statements" + +sparql_final_triplestore_username: "import_user" +sparql_final_triplestore_password: "dba" + +# R2RML params +input_data_jdbc: "jdbc:drill:drillbit=drill:31010" + +# Temporary triplestore (e.g. Virtuoso). TODO: improve +sparql_tmp_service_url: "http://tmp-virtuoso:8890/sparql" +# sparql_tmp_service_url: "http://blazegraph:8082/bigdata/sparql" + +sparql_tmp_triplestore_url: "http://tmp-virtuoso:8890/sparql" +# sparql_tmp_triplestore_url: "http://blazegraph:8082/bigdata/sparql" +sparql_tmp_triplestore_username: "dba" +sparql_tmp_triplestore_password: "dba" + +sparql_tmp_graph_uri: "https://w3id.org/d2s/graph/autor2rml" +# sparql_tmp_graph_uri: "https://w3id.org/d2s/graph/xml2rdf" + +tmp_triplestore_container_id: "d2s-tmp-virtuoso" +tmp_triplestore_load_dir: "/usr/local/virtuoso-opensource/var/lib/virtuoso/db" + +# Split params +# split_property: "https://w3id.org/biolink/vocab/has_participant" +# split_class: "https://w3id.org/biolink/vocab/GeneGrouping" +# split_delimiter: "," +# split_quote: '"' + +sparql_transform_queries_path: "mapping" +sparql_insert_metadata_path: "metadata" + +cwl_workflow_filename: "csv-virtuoso.cwl" +# cwl_workflow_filename: "xml-virtuoso.cwl" + +config_dir: + class: Directory + path: . + +cwl_dir: + class: Directory + path: ../../d2s-core \ No newline at end of file diff --git a/archived-datasets/string/download/download.sh b/archived-datasets/string/download/download.sh new file mode 100755 index 0000000..00ab069 --- /dev/null +++ b/archived-datasets/string/download/download.sh @@ -0,0 +1,19 @@ +#!/bin/bash + +# Only Human +wget -N https://stringdb-static.org/download/protein.actions.v11.0/9606.protein.actions.v11.0.txt.gz +# About 12G +# wget -N https://stringdb-static.org/download/protein.actions.v11.0.txt.gz + + +# UNTAR recursively all .tar.gz files in current dir +find . -name "*.tar.gz" -exec tar -xzvf {} \; + +## RENAME EXTENSION (e.g.: txt in tsv) +rename s/\.txt/.tsv/ *.txt + +# Convert TSV to CSV for RMLStreamer +# sed -e 's/"/\\"/g' -e 's/\t/","/g' -e 's/^/"/' -e 's/$/"/' -e 's/\r//' concepts.tsv > concepts.csv + +# Make sure right permissions are set properly +chmod 777 * \ No newline at end of file diff --git a/archived-datasets/string/mapping/insert-string.rq b/archived-datasets/string/mapping/insert-string.rq new file mode 100644 index 0000000..fcbbd9e --- /dev/null +++ b/archived-datasets/string/mapping/insert-string.rq @@ -0,0 +1,91 @@ +PREFIX d2smodel: +PREFIX rdfs: +PREFIX owl: +PREFIX dc: +PREFIX dcterms: +PREFIX bl: +PREFIX w3idvocab: +INSERT +{ + GRAPH { + ?uriProtSource a bl:Protein ; + bl:id ?uriProtSourceId ; + bl:same_as ?uriSameasSourceId . + ?uriProtTarget a bl:Protein ; + bl:id ?uriProtTargetId ; + bl:same_as ?uriSameasTargetId . + + # https://biolink.github.io/biolink-model/docs/GeneToGeneHomologyAssociation.html + ?associationUri a bl:PairwiseGeneToGeneInteraction ; + bl:relation ?relationUri ; # activate etc + bl:subject ?uriProtSource ; + bl:object ?uriProtTarget ; + bl:has_confidence_level ?ConfidenceLevelUri . + # Also use? https://biolink.github.io/biolink-model/docs/interacting_molecules_category.html + + # TODO: improve this? + ?ConfidenceLevelUri a bl:ConfidenceLevel ; + bl:id "score" ; + bl:name "Score" ; + bl:node_property ?score . + + # Direct relations + #?uriProtSource ?relationUri ?uriProtTarget . + } +} +WHERE { + SERVICE { + GRAPH { + # Transform https://stringdb-static.org/download/protein.actions.v11.0.txt.gz + + ?s d2smodel:A_is_acting ?aIsActing . # f or t. + # the directionality of the action if applicable (t gives that item_id_a is acting upon item_id_b) + # but f doesn't mean that b is acting on a. Sometimes it is just that directionality is not know (eg: binding) + + ?s d2smodel:Item_id_a ?protA . #(9606.ENSP00000357615) + ?s d2smodel:Item_id_b ?protB . + + BIND( if( ?aIsActing="t", + ?protA , + ?protB) + AS ?protSource ) + + BIND( if( ?aIsActing="t", + ?protB , + ?protA) + AS ?protTarget ) + + BIND ( iri(concat("https://w3id.org/d2s/data/string/interaction/", md5(concat(?protSource, ?protTarget)) )) AS ?associationUri ) + + OPTIONAL { + ?s d2smodel:Mode ?mode . # type of interaction: activation, inhibition, reaction, binding, expression, catalysis, ptmod (post-translational modifications) + } OPTIONAL { + ?s d2smodel:Action ?action . # Not used at the moment. The effect of the action ("inhibition", "activation"). Only filled for activation and inhibition modes + } OPTIONAL { + ?s d2smodel:Score ?score . # 0 to 1000 + BIND ( iri(concat("https://w3id.org/d2s/data/string/interaction/", md5(concat(?protSource, ?protTarget)), "/score" )) AS ?ConfidenceLevelUri ) + } OPTIONAL { + ?s d2smodel:Is_directional ?isDirectional . # f or t. We only use A_is_acting at the moment + } + + BIND( iri(concat("https://identifiers.org/ensembl:", strafter(?protSource, ".")) ) AS ?uriProtSource ) + BIND( concat("ensembl:", strafter(?protSource, ".")) AS ?uriProtSourceId) + BIND( iri(concat("http://ensembl.org/id/", strafter(?protSource, "."))) AS ?uriSameasSourceId) + BIND( iri(concat("https://identifiers.org/ensembl:", strafter(?protTarget, ".")) ) AS ?uriProtTarget ) + BIND( concat("ensembl:", strafter(?protTarget, ".")) AS ?uriProtTargetId) + BIND( iri(concat("http://ensembl.org/id/", strafter(?protTarget, "."))) AS ?uriSameasTargetId) + + VALUES (?filterMode ?relationUri) { + ( "activation" bl:increases_activity_of ) + ( "inhibition" bl:decreases_activity_of ) + ( "catalysis" bl:increases_activity_of ) + ( "expression" bl:affects_expression_of ) + ( "reaction" bl:molecularly_interacts_with ) + ( "binding" bl:molecularly_interacts_with ) + ( "ptmod" bl:affects_molecular_modification_of ) + #(UNDEF bl:interacts_with) # TODO: take also interaction when mode not defined + } + FILTER (sameTerm(LCASE(?filterMode), ?mode)) +} +} +} \ No newline at end of file diff --git a/archived-datasets/string/metadata/metadata-dataset-0-summary.rq b/archived-datasets/string/metadata/metadata-dataset-0-summary.rq new file mode 100644 index 0000000..8aa913e --- /dev/null +++ b/archived-datasets/string/metadata/metadata-dataset-0-summary.rq @@ -0,0 +1,76 @@ +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: + +INSERT { + GRAPH { + + # Agent publishing the dataset + ?publisherUri a dct:Agent ; + foaf:name ?publisherName ; + foaf:page . + + # Summary + + rdf:type dctypes:Dataset; + dct:title "STRING protein interactions" ; + idot:preferredPrefix "string" ; + dct:description "Protein-Protein Interaction Networks. STRING is a database of known and predicted protein-protein interactions. The interactions include direct (physical) and indirect (functional) associations; they stem from computational prediction, from knowledge transfer between organisms, and from interactions aggregated from other (primary) databases."@en; + dct:publisher ?publisherUri ; + + dct:license ; + # Human readable licenses terms + # dct:rights """Rights."""@en ; + + # The homepage of the dataset + foaf:page ; + # schemaorg:logo ; + + dcat:accessURL ; + # Specify the directory containing the file(s) of interest (not the direct file URL) + + dct:references ; + dcat:keyword "protein" ; + dcat:theme ; + # ncit:C48807 Chemical, ncit:C54708 drug interaction + + # dct:accrualPeriodicity freq:annual ; + # frequency of update: annual baseline is released in December of each year + + void:sparqlEndpoint "https://graphdb.dumontierlab.com/repositories/ncats-red-kg/statements" . + + ## MAY + # dct:references ; # Supporting material as web pages and documents (use cito for publications) + # cito:citesAsAuthority ; # publications about the dataset + # rdfs:seeAlso ; + + # dct:hasPart ; # if the dataset has multiple different parts (e.g. one for Drugs, one for Phenotypes) + # dct:alternative "Alternative label for dataset" ; + # idot:alternatePrefix "alternative_prefix"; + + + ## Needs to be updated at new submission + #pav:hasCurrentVersion ; + } +} WHERE { + BIND(NOW() AS ?now) + BIND ( "EMBL European Molecular Biology Laboratory" as ?publisherName) + BIND ( iri(concat("https://w3id.org/d2s/agent/", md5(?publisherName))) AS ?publisherUri ) +} diff --git a/archived-datasets/string/metadata/metadata-dataset-1.rq b/archived-datasets/string/metadata/metadata-dataset-1.rq new file mode 100644 index 0000000..8c1da4d --- /dev/null +++ b/archived-datasets/string/metadata/metadata-dataset-1.rq @@ -0,0 +1,163 @@ +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: + +INSERT { + GRAPH { + + # Agent publishing the RDF distribution + ?rdfPublisherUri a dct:Agent ; + foaf:name ?rdfPublisherName ; + foaf:page . + + # Version + ?versionUri + a dctypes:Dataset ; + dct:isVersionOf ?summaryUri ; + pav:version ?pavVersion ; + + dcat:distribution ; + # dcat:accessURL ; + + ## MAY + # dct:references ; # Supporting material as web pages and documents (use cito for publications) + # cito:citesAsAuthority ; # publications about the dataset + # rdfs:seeAlso ; + + dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:license ?sourceLicense ; + dct:publisher ?sourcePublisher ; + idot:preferredPrefix ?idotPreferredPrefix ; + dct:language ?dctLanguage ; + + # TODO: should we put the date of the source release? + dct:issued ?now . + + # TODO: should we have a different license than the summary? + # dct:license ; + + # Same for creator and publisher, should it be HPO for the version? + # dct:creator ; + # dct:publisher ; + + ### RDF Distribution description + + a dcat:Distribution, void:Dataset ; + # TODO: should we use the same pav:version as the source for RDF distribution? + pav:version ?pavVersion ; + # TODO: and should we use the version in RDF distribution URI? After / or # ? + # # more convenient to do strafter() and extract version number + + # TODO: What should be data2services BioLink RDF license? + dct:license ; + + # void:exampleResource ; + + # TODO: should we point createdWith to the SPARQL mappings? Or d2s-cli URL? + pav:createdWith ; + + # Which publisher for RDF BioLink Dataset? IDS by default + dct:publisher ?rdfPublisherUri ; + dct:creator ?rdfPublisherUri ; + + dct:source ?distributionSourceUri ; + dct:language ?dctLanguage ; + void:vocabulary ; + + # TODO: Use dcat:accessURL to specify a directory containing the file(s) of interest. + dcat:accessURL ; + dcat:downloadURL ; + void:dataDump ; + dcat:mediaType "application/n-quads" ; + + dct:title ?rdfDctTitle ; + dct:description ?rdfDctDistribution ; + dct:conformsTo ?hclsDataset ; + idot:preferredPrefix ?idotPreferredPrefix ; + dct:created ?now . + + # MAY + # pav:previousVersion ; + # idot:accessIdentifierPattern "^http://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL\\d+" ; + # idot:identifierPattern "CHEMBL\\d+"^^xsd:string ; + # void:uriRegexPattern "http://rdf.ebi.ac.uk/resource/chembl/target/CHEMBL\\d+" ; + # idot:accessPattern "http://identifiers.org/chembl.compound/"; + # idot:exampleIdentifier "CHEMBL_TC_4803"^^xsd:string ; + + ### Source distribution (non-RDF) description + ?distributionSourceUri + a dcat:Distribution ; + dct:format "text/tab-separated-values" ; + dcat:downloadURL ; + + # idot:exampleIdentifier "DB00001"^^xsd:string ; + + # TODO: should we put issues? + + # TODO: Same publisher as source? + dct:publisher ?sourcePublisher ; + dct:creator ?sourcePublisher ; + pav:version ?pavVersion ; + + dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:rights ?dctRights ; + dct:license ?sourceLicense ; + idot:preferredPrefix ?idotPreferredPrefix ; + pav:retrievedOn ?now ; + dct:language ?dctLanguage ; + dct:conformsTo ?hclsDataset . + + # MAY + # pav:previousVersion ; + # idot:accessPattern "http://identifiers.org/drugbank:" ; + } +} WHERE { + # Version of the source dataset + BIND("1"^^xsd:string AS ?pavVersion) + + BIND( AS ?summaryUri) + BIND( AS ?dctLanguage) + + # Version of our RDF distribution version + BIND("1"^^xsd:string AS ?rdfPavVersion) + BIND(concat("N-Quads distribution of STRING protein interactions build #", ?rdfPavVersion) AS ?rdfDctTitle) + BIND(concat("N-Quads distribution of STRING protein interactions build #", ?rdfPavVersion, " produced by Data2Services on NOW()") AS ?rdfDctDescription) + + BIND(NOW() AS ?now) + # Get generic informations from summary + OPTIONAL { + ?summaryUri dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:license ?sourceLicense ; + dct:publisher ?sourcePublisher ; + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix . + } + + # Generates URIs from pav:version + BIND(iri(concat(str(?summaryUri), "/version#", str(?pavVersion))) AS ?versionUri) + BIND(iri(concat(str(?summaryUri), "/distribution/source#", str(?pavVersion))) AS ?distributionSourceUri) + BIND( AS ?hclsDataset) + + BIND ( "Institute of Data Science at Maastricht University" as ?rdfPublisherName) + BIND ( iri(concat("https://w3id.org/d2s/agent/", md5(?rdfPublisherName))) AS ?rdfPublisherUri ) +} diff --git a/archived-datasets/string/process-string.ipynb b/archived-datasets/string/process-string.ipynb new file mode 100644 index 0000000..7317c9e --- /dev/null +++ b/archived-datasets/string/process-string.ipynb @@ -0,0 +1,133 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# Process STRING protein interactions Data\n", + "\n", + "Jupyter Notebook to download and preprocess files to transform to BioLink RDF.\n", + "\n", + "### Download files\n", + "\n", + "The download can be defined:\n", + "* in this Jupyter Notebook using Python\n", + "* as a Bash script in the `download/download.sh` file, and executed using `d2s download string`\n", + "\n" + ] + }, + { + "cell_type": "code", + "execution_count": 9, + "metadata": {}, + "outputs": [], + "source": [ + "import os\n", + "import glob\n", + "import requests\n", + "import functools\n", + "import shutil\n", + "import pandas as pd \n", + "\n", + "# Use Pandas, load file in memory\n", + "def convert_tsv_to_csv(tsv_file):\n", + " csv_table=pd.read_table(tsv_file,sep='\\t')\n", + " csv_table.to_csv(tsv_file[:-4] + '.csv',index=False)\n", + "\n", + "# Variables and path for the dataset\n", + "dataset_id = 'string'\n", + "dsri_flink_pod_id = 'flink-jobmanager-###'\n", + "input_folder = '/notebooks/workspace/input/' + dataset_id\n", + "mapping_folder = '/notebooks/datasets/' + dataset_id + '/mapping'\n", + "os.makedirs(input_folder, exist_ok=True)" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "# Use input folder as working folder\n", + "os.chdir(input_folder)\n", + "\n", + "files_to_download = [\n", + " 'https://raw.githubusercontent.com/MaastrichtU-IDS/d2s-scripts-repository/master/resources/cohd-sample/concepts.tsv'\n", + "]\n", + "\n", + "# Download each file and uncompress them if needed\n", + "# Use Bash because faster and more reliable than Python\n", + "for download_url in files_to_download:\n", + " os.system('wget -N ' + download_url)\n", + " os.system('find . -name \"*.tar.gz\" -exec tar -xzvf {} \\;')\n", + " os.system('unzip -o \\*.zip')\n", + "\n", + "# Rename .txt to .tsv\n", + "listing = glob.glob('*.txt')\n", + "for filename in listing:\n", + " os.rename(filename, filename[:-4] + '.tsv')\n", + "\n", + " \n", + "## Convert TSV to CSV to be processed with the RMLStreamer\n", + "# use Pandas (load in memory)\n", + "convert_tsv_to_csv('concepts.tsv')\n", + "# Use Bash \n", + "# cmd_convert_csv = \"\"\"sed -e 's/\"/\\\\\"/g' -e 's/\\t/\",\"/g' -e 's/^/\"/' -e 's/$/\"/' -e 's/\\r//' concepts.tsv > concepts.csv\"\"\"\n", + "# os.system(cmd_convert_csv)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Process and load concepts\n", + "\n", + "We will use CWL workflows to integrate data with SPARQL queries. The structured data is first converted to a generic RDF based on the data structure, then mapped to BioLink using SPARQL. The SPARQL queries are defined in `.rq` files and can be [accessed on GitHub](https://github.com/MaastrichtU-IDS/d2s-project-template/tree/master/datasets/string/mapping).\n", + "\n", + "Start the required services (here on our server, defined by the `-d trek` arg):\n", + "\n", + "```bash\n", + "d2s start tmp-virtuoso drill -d trek\n", + "```\n", + "\n", + "Run one of the following d2s command in the d2s-project folder:\n", + "\n", + "```bash\n", + "d2s run csv-virtuoso.cwl string\n", + "d2s run xml-virtuoso.cwl string\n", + "```\n", + "\n", + "[HCLS metadata](https://www.w3.org/TR/hcls-dataset/) can be computed for the string graph:\n", + "\n", + "```bash\n", + "d2s run compute-hcls-metadata.cwl string\n", + "```\n", + "\n", + "## Load the BioLink model\n", + "\n", + "Load the [BioLink model ontology as Turtle](https://github.com/biolink/biolink-model/blob/master/biolink-model.ttl) in the graph `https://w3id.org/biolink/biolink-model` in the triplestore\n" + ] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 3", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.8.2" + } + }, + "nbformat": 4, + "nbformat_minor": 4 +} \ No newline at end of file diff --git a/archived-datasets/ugent-covid-kg/config.yml b/archived-datasets/ugent-covid-kg/config.yml new file mode 100644 index 0000000..d602dc1 --- /dev/null +++ b/archived-datasets/ugent-covid-kg/config.yml @@ -0,0 +1,51 @@ + +dataset_to_process: "ugent-covid-kg" + +## For XML workflows +# dir_to_process: +# class: Directory +# path: ../../workspace/input/ugent-covid-kg + +sparql_final_graph_uri: "https://w3id.org/d2s/graph/ugent-covid-kg" + +# R2RML params +input_data_jdbc: "jdbc:drill:drillbit=drill:31010" + +# tmp RDF4J server SPARQL endpoint to load generic RDF +sparql_tmp_triplestore_url: "http://virtuoso:8890/sparql" +# sparql_tmp_triplestore_url: "http://blazegraph:8082/bigdata/sparql" +sparql_tmp_triplestore_username: "dba" +sparql_tmp_triplestore_password: "dba" + +sparql_tmp_graph_uri: "https://w3id.org/d2s/graph/autor2rml" +# sparql_tmp_graph_uri: "https://w3id.org/d2s/graph/xml2rdf" +tmp_triplestore_container_id: "d2s-virtuoso" +tmp_triplestore_load_dir: "/usr/local/virtuoso-opensource/var/lib/virtuoso/db" + + +# Final RDF4J server SPARQL endpoint to load the BioLink RDF +sparql_final_triplestore_url: "http://graphdb:7200/repositories/covid-kg/statements" +sparql_tmp_service_url: "http://virtuoso:8890/sparql" +# sparql_tmp_service_url: "http://blazegraph:8082/bigdata/sparql" + +sparql_final_triplestore_username: "dba" +sparql_final_triplestore_password: "dba" + +# Split params +# split_property: "https://w3id.org/biolink/vocab/has_participant" +# split_class: "https://w3id.org/biolink/vocab/GeneGrouping" +# split_delimiter: "," +# split_quote: '"' + +sparql_transform_queries_path: "mapping" +sparql_insert_metadata_path: "metadata" + +cwl_workflow_filename: "virtuoso.cwl" + +config_dir: + class: Directory + path: . + +cwl_dir: + class: Directory + path: ../../d2s-core/cwl \ No newline at end of file diff --git a/archived-datasets/ugent-covid-kg/download/download.sh b/archived-datasets/ugent-covid-kg/download/download.sh new file mode 100755 index 0000000..4f6b18e --- /dev/null +++ b/archived-datasets/ugent-covid-kg/download/download.sh @@ -0,0 +1,9 @@ +#!/bin/bash + +## Download fixed turtle from IDS servers +wget -N https://covid-download.137.120.31.102.nip.io/files/ugent-covid-kg.zip + +unzip -o \*.zip + +# Fix MeSH URIs to use HTTP instead of HTTPS (like official MeSH) +find ugent-covid-kg.ttl -type f -exec sed -i "s/https:\/\/id.nlm.nih.gov\/mesh/http:\/\/id.nlm.nih.gov\/mesh/g" {} + \ No newline at end of file diff --git a/archived-datasets/ugent-covid-kg/mapping/sparql-link-mesh.rq b/archived-datasets/ugent-covid-kg/mapping/sparql-link-mesh.rq new file mode 100644 index 0000000..96a89ae --- /dev/null +++ b/archived-datasets/ugent-covid-kg/mapping/sparql-link-mesh.rq @@ -0,0 +1,24 @@ +PREFIX d2s: +PREFIX rdfs: +PREFIX owl: +PREFIX dc: +PREFIX dcterms: +PREFIX bl: +PREFIX w3idvocab: +INSERT { + GRAPH { + # http://idlab.github.io/covid19#datasetVersion9 + ?meshUri owl:sameAs ?mesh2020Uri . + } +} +WHERE { + # SERVICE { + GRAPH { + # https://w3id.org/d2s/graph/mesh + ?mesh2020Uri a [] . + FILTER(strstarts(str(?mesh2020Uri), "http://id.nlm.nih.gov/mesh/2020/")) + BIND(uri(replace(str(?mesh2020Uri), "http://id.nlm.nih.gov/mesh/2020/", "https://id.nlm.nih.gov/mesh/")) as ?meshUri) + } + # } +} + diff --git a/archived-datasets/ugent-covid-kg/metadata/metadata-template-0-summary.rq b/archived-datasets/ugent-covid-kg/metadata/metadata-template-0-summary.rq new file mode 100644 index 0000000..d5c8acf --- /dev/null +++ b/archived-datasets/ugent-covid-kg/metadata/metadata-template-0-summary.rq @@ -0,0 +1,76 @@ +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: + +INSERT { + GRAPH { + + # Agent publishing the dataset + ?publisherUri a dct:Agent ; + foaf:name ?publisherName ; + foaf:page . + + # Summary + + rdf:type dctypes:Dataset; + dct:title "COVID-19 Literature Knowledge Graph" ; + idot:preferredPrefix "ugent-covid-kg" ; + dct:description "A RDF Knowledge Graph of the CORD-19 literature dataset"@en; + dct:publisher ?publisherUri ; + + dct:license ; + # Human readable licenses terms + # dct:rights """Rights."""@en ; + + # The homepage of the dataset + foaf:page ; + # schemaorg:logo ; + + dcat:accessURL ; + # Specify the directory containing the file(s) of interest (not the direct file URL) + + # dct:references ; + dcat:keyword "disease" , "covid-19" ; + # dcat:theme ncit:C48807 , ncit:C54708 ; + # Chemical, drug interaction + + # dct:accrualPeriodicity freq:annual ; + # frequency of update: annual baseline is released in December of each year + + void:sparqlEndpoint "https://graphdb.dumontierlab.com/repositories/covid-kg" . + + ## MAY + # dct:references ; # Supporting material as web pages and documents (use cito for publications) + # cito:citesAsAuthority ; # publications about the dataset + # rdfs:seeAlso ; + + # dct:hasPart ; # if the dataset has multiple different parts (e.g. one for Drugs, one for Phenotypes) + # dct:alternative "Alternative label for dataset" ; + # idot:alternatePrefix "alternative_prefix"; + + + ## Needs to be updated at new submission + #pav:hasCurrentVersion ; + } +} WHERE { + BIND(NOW() AS ?now) + BIND ( "IDLab at Gent University" as ?publisherName) + BIND ( iri(concat("https://w3id.org/d2s/agent/", md5(?publisherName))) AS ?publisherUri ) +} diff --git a/archived-datasets/ugent-covid-kg/metadata/metadata-template-1.rq b/archived-datasets/ugent-covid-kg/metadata/metadata-template-1.rq new file mode 100644 index 0000000..22f151c --- /dev/null +++ b/archived-datasets/ugent-covid-kg/metadata/metadata-template-1.rq @@ -0,0 +1,160 @@ +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: + +INSERT { + GRAPH { + + # Agent publishing the RDF distribution + ?rdfPublisherUri a dct:Agent ; + foaf:name ?umidsName ; + foaf:page . + + # Version + ?versionUri + a dctypes:Dataset ; + dct:isVersionOf ?summaryUri ; + pav:version ?pavVersion ; + + dcat:distribution ; + dcat:accessURL ; + + ## MAY + # dct:references ; # Supporting material as web pages and documents (use cito for publications) + # cito:citesAsAuthority ; # publications about the dataset + # rdfs:seeAlso ; + + dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:license ?sourceLicense ; + dct:publisher ?sourcePublisher ; + idot:preferredPrefix ?idotPreferredPrefix ; + dct:language ?dctLanguage ; + + # TODO: should we put the date of the source release? + dct:issued ?now . + + # TODO: should we have a different license than the summary? + # dct:license ; + + # Same for creator and publisher, should it be HPO for the version? + # dct:creator ; + # dct:publisher ; + + ### RDF Distribution description + + a dcat:Distribution, void:Dataset ; + # TODO: should we use the same pav:version as the source for RDF distribution? + pav:version ?pavVersion ; + # TODO: and should we use the version in RDF distribution URI? After / or # ? + # # more convenient to do strafter() and extract version number + + # TODO: What should be data2services BioLink RDF license? + dct:license ; + void:exampleResource ; + # TODO: should we point createdWith to the SPARQL mappings? Or d2s-cli URL? + pav:createdWith ; + + # Which publisher for RDF BioLink Dataset? IDS by default + dct:publisher ?rdfPublisherUri ; + dct:creator ?rdfPublisherUri ; + + dct:source ?distributionSourceUri ; + dct:language ?dctLanguage ; + void:vocabulary ; + + dcat:accessURL ; + dcat:downloadURL ; + void:dataDump ; + dcat:mediaType "application/n-quads" ; + + dct:title ?rdfDctTitle ; + dct:description ?rdfDctDistribution ; + dct:conformsTo ?hclsDataset ; + idot:preferredPrefix ?idotPreferredPrefix ; + dct:created ?now . + + # MAY + # pav:previousVersion ; + # idot:accessIdentifierPattern "^http://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL\\d+" ; + # idot:identifierPattern "CHEMBL\\d+"^^xsd:string ; + # void:uriRegexPattern "http://rdf.ebi.ac.uk/resource/chembl/target/CHEMBL\\d+" ; + # idot:accessPattern "http://identifiers.org/chembl.compound/"; + # idot:exampleIdentifier "CHEMBL_TC_4803"^^xsd:string ; + + ### Source distribution (non-RDF) description + ?distributionSourceUri + a dcat:Distribution ; + dct:format "text/turtle" ; + dcat:downloadURL + ; + idot:exampleIdentifier "http://idlab.github.io/covid19#ffe663e4ef5018da41f057533520b9d85ec86e18"^^xsd:string ; + + # TODO: should we put issues? + + # TODO: Same publisher as source? + dct:publisher ?sourcePublisher ; + dct:creator ?sourcePublisher ; + pav:version ?pavVersion ; + + dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:rights ?dctRights ; + dct:license ?sourceLicense ; + idot:preferredPrefix ?idotPreferredPrefix ; + pav:retrievedOn ?now ; + dct:language ?dctLanguage ; + dct:conformsTo ?hclsDataset . + + # MAY + # pav:previousVersion ; + # idot:accessPattern "http://identifiers.org/drugbank:" ; + } +} WHERE { + # Version of the source dataset + BIND("1"^^xsd:string AS ?pavVersion) + + BIND( AS ?summaryUri) + BIND( AS ?dctLanguage) + + # Version of our RDF distribution version + BIND("1"^^xsd:string AS ?rdfPavVersion) + BIND(concat("N-Quads distribution of COVID-19 Literature Knowledge Graph build #", ?rdfPavVersion) AS ?rdfDctTitle) + BIND(concat("N-Quads distribution of COVID-19 Literature Knowledge Graph build #", ?rdfPavVersion, " produced by Data2Services on NOW()") AS ?rdfDctDescription) + + BIND(NOW() AS ?now) + # Get generic informations from summary + OPTIONAL { + ?summaryUri dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:license ?sourceLicense ; + dct:publisher ?sourcePublisher ; + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix . + } + + # Generates URIs from pav:version + BIND(iri(concat(str(?summaryUri), "/version#", str(?pavVersion))) AS ?versionUri) + BIND(iri(concat(str(?summaryUri), "/distribution/source#", str(?pavVersion))) AS ?distributionSourceUri) + BIND( AS ?hclsDataset) + + BIND ( "Institute of Data Science at Maastricht University" as ?umidsName) + BIND ( iri(concat("https://w3id.org/d2s/agent/", md5(?umidsName))) AS ?rdfPublisherUri ) +} diff --git a/archived-datasets/uniprot/config.yml b/archived-datasets/uniprot/config.yml new file mode 100644 index 0000000..249dfd6 --- /dev/null +++ b/archived-datasets/uniprot/config.yml @@ -0,0 +1,56 @@ + +dataset_to_process: "uniprot" + +## For XML workflows +# dir_to_process: +# class: Directory +# path: ../../workspace/input/uniprot + +sparql_final_graph_uri: "https://w3id.org/d2s/graph/uniprot" + + +# Final SPARQL endpoint to load the BioLink RDF +# Add /statements for RDF4J server like GraphDB +sparql_final_triplestore_url: "https://graphdb.dumontierlab.com/repositories/ncats-red-kg/statements" +# sparql_final_triplestore_url: "http://graphdb:7200/repositories/demo/statements" + +sparql_final_triplestore_username: "dba" +sparql_final_triplestore_password: "dba" + +# R2RML params +input_data_jdbc: "jdbc:drill:drillbit=drill:31010" + +# Temporary triplestore (e.g. Virtuoso). TODO: improve +sparql_tmp_service_url: "http://tmp-virtuoso:8890/sparql" +# sparql_tmp_service_url: "http://blazegraph:8082/bigdata/sparql" + +sparql_tmp_triplestore_url: "http://tmp-virtuoso:8890/sparql" +# sparql_tmp_triplestore_url: "http://blazegraph:8082/bigdata/sparql" +sparql_tmp_triplestore_username: "dba" +sparql_tmp_triplestore_password: "dba" + +sparql_tmp_graph_uri: "https://w3id.org/d2s/graph/autor2rml" +# sparql_tmp_graph_uri: "https://w3id.org/d2s/graph/xml2rdf" + +tmp_triplestore_container_id: "d2s-tmp-virtuoso" +tmp_triplestore_load_dir: "/usr/local/virtuoso-opensource/var/lib/virtuoso/db" + +# Split params +# split_property: "https://w3id.org/biolink/vocab/has_participant" +# split_class: "https://w3id.org/biolink/vocab/GeneGrouping" +# split_delimiter: "," +# split_quote: '"' + +sparql_transform_queries_path: "mapping" +sparql_insert_metadata_path: "metadata" + +cwl_workflow_filename: "csv-virtuoso.cwl" +# cwl_workflow_filename: "xml-virtuoso.cwl" + +config_dir: + class: Directory + path: . + +cwl_dir: + class: Directory + path: ../../d2s-core \ No newline at end of file diff --git a/archived-datasets/uniprot/download/download.sh b/archived-datasets/uniprot/download/download.sh new file mode 100755 index 0000000..877f46d --- /dev/null +++ b/archived-datasets/uniprot/download/download.sh @@ -0,0 +1,17 @@ +#!/bin/bash + +## Download sample TSV files from GitHub (OMOP CDM mappings, about 15M) +# wget -N https://raw.githubusercontent.com/MaastrichtU-IDS/d2s-scripts-repository/master/resources/cohd-sample/concepts.tsv + + +# UNTAR recursively all .tar.gz files in current dir +# find . -name "*.tar.gz" -exec tar -xzvf {} \; + +# UNZIP files +# unzip -o \*.zip + +## RENAME EXTENSION (e.g.: txt in tsv) +# rename s/\.txt/.tsv/ *.txt + +# Convert TSV to CSV for RMLStreamer +# sed -e 's/"/\\"/g' -e 's/\t/","/g' -e 's/^/"/' -e 's/$/"/' -e 's/\r//' concepts.tsv > concepts.csv \ No newline at end of file diff --git a/archived-datasets/uniprot/mapping/insert-uniprot-organism.rq b/archived-datasets/uniprot/mapping/insert-uniprot-organism.rq new file mode 100644 index 0000000..6ecc9df --- /dev/null +++ b/archived-datasets/uniprot/mapping/insert-uniprot-organism.rq @@ -0,0 +1,48 @@ +PREFIX bl: +PREFIX rdfs: +PREFIX up: +PREFIX uniprot: +INSERT { + GRAPH { # https://w3id.org/d2s/graph/biolink/uniprot + ?taxonUri a bl:OrganismTaxon ; + #bl:id ?taxonomyUriStr ; + bl:name ?label ; + bl:synonym ?synonym ; + rdfs:subClassOf ?subClassOf . + + #?subClassOfUri a bl:OrganismTaxon ; + # bl:id ?subClassOfUriStr ; + # bl:name ?labelSubClassOf . + } +} +WHERE { + + #SELECT ?taxonomyUri ?uniprotUri WHERE { + # ?taxonomyUri a bl:OrganismTaxon . + # FILTER(strstarts(str(?taxonomyUri), "http://identifiers.org/taxonomy/")) + # BIND(iri(replace(str(?taxonomyUri), "http://identifiers.org/taxonomy/", "http://purl.uniprot.org/taxonomy/")) AS ?uniprotUri) + #} + + SERVICE { + { + SELECT * WHERE { + # 2.363.344 taxons + ?taxonUri a up:Taxon . # http://purl.uniprot.org/taxonomy/1003157 + + OPTIONAL { + ?taxonUri up:scientificName ?label . + } OPTIONAL { + ?taxonUri up:otherName ?synonym . + } OPTIONAL { + ?taxonUri rdfs:subClassOf ?subClassOf . + } + + #OPTIONAL { + # ?taxonUri up:rank ?rank . # http://purl.uniprot.org/core/Species + #} OPTIONAL { + # ?taxonUri up:partOfLineage ?partOfLineage . # "false"xsd:boolean + #} + } #LIMIT 10000 + } + } +} \ No newline at end of file diff --git a/archived-datasets/uniprot/mapping/insert-uniprot.rq b/archived-datasets/uniprot/mapping/insert-uniprot.rq new file mode 100644 index 0000000..fd1ad2e --- /dev/null +++ b/archived-datasets/uniprot/mapping/insert-uniprot.rq @@ -0,0 +1,93 @@ +PREFIX bl: +PREFIX rdfs: +PREFIX up: +PREFIX uniprot: +PREFIX skos: +PREFIX dc: +PREFIX foaf: +INSERT { + GRAPH { + ?protIdoUri a bl:Protein ; + bl:id ?protCurie ; + bl:name ?label ; + bl:same_as ?uniprotUri ; + bl:same_as ?protIdoSameAs ; + bl:creation_date ?created ; + bl:in_taxon ?organism . + + ?goAssociation a bl:GeneToGoTermAssociation ; + bl:gene_to_go_term_association_subject ?protIdoUri ; + bl:gene_to_go_term_association_object ?classifiedWith ; + bl:provided_by ; + bl:relation bl:category . # Good relation? + + ?classifiedWith a bl:GeneOntologyClass . + #bl:name ?goTermLabel . + + #?taxon a bl:OrganismTaxon . # Get all Organisms in a different query + + #?citationPubmedUri a bl:Publication ; # no way to link anything else than an association to a publication + # bl:id ?citationId . + } +} +WHERE { + # Select proteins in our graph to only get their infos + #SELECT ?uniprotUri WHERE { + # ?uniprotUri a bl:Protein . + # FILTER(strstarts(str(?uniprotUri), "http://identifiers.org/uniprot/")) + #} + + + SERVICE { + { + SELECT * WHERE { + # 233.686.171 proteins + ?uniprotUri a up:Protein ; + rdfs:label ?label ; + up:organism ?organism . + + # Only take human proteins + FILTER( ?organism = ) + + # TODO: add proteome? http://purl.uniprot.org/proteomes/UP000005640#Chromosome%204 + + OPTIONAL { + ?uniprotUri up:created ?created . # "2017-05-10"xsd:date + + } OPTIONAL { + ?uniprotUri up:classifiedWith ?classifiedWith . # GO terms or keywords. http://purl.obolibrary.org/obo/GO_0005198 or http://purl.uniprot.org/keywords/9998 + + #BIND( if(strstarts(str(?classifiedWith), "http://purl.obolibrary.org/obo/"), + # , + # ) AS ?goTermLabelProperty ) + #?classifiedWith ?goTermLabelProperty ?goTermLabel . + } + + #OPTIONAL { + # no way to link anything else than an association to a PUBLICATION + #?uniprotUri up:citation ?citation . # http://purl.uniprot.org/citations/28193549 + # https://sparql.uniprot.org/sparql/?format=html&query=SELECT+*+WHERE+%7B%0D%0A++%3Chttp%3A%2F%2Fpurl.uniprot.org%2Fcitations%2F28193549%3E+%3Fp+%3Fo+.%0D%0A++%7D + #?citation dc:identifier ?citationId ; + # foaf:primaryTopicOf ?citationPubmedUri . + #} OPTIONAL { + # No way to define it in BioLink + #?uniprotUri up:existence ?existence . # http://purl.uniprot.org/core/Predicted_Existence + #} OPTIONAL { + # Not really interesting, sometimes nice rdfs:label + #?uniprotUri up:annotation ?annotation . # http://purl.uniprot.org/uniprot/A0A1S6KF75#SIP4FA1E2F7247E4C4D + #} OPTIONAL { + #?uniprotUri up:attribution ?attribution . # http://purl.uniprot.org/uniprot/A0A1S6KF75#attribution-89E8704FA38C40532B5F76EAA9B9162B + # up:source http://purl.uniprot.org/embl-cds/AQT01831.1 + # up:evidence http://purl.obolibrary.org/obo/ECO_0000313 + #} OPTIONAL { + # ?uniprotUri up:version ?uniprotVersion . + + } #LIMIT 1000 + } + } + BIND ( replace(str(?uniprotUri), "http://purl.uniprot.org/uniprot/", "") AS ?protId ) + BIND ( concat("uniprot:", ?protId) AS ?protCurie ) + BIND ( iri(concat("https://identifiers.org/uniprot:", ?protId)) AS ?protIdoUri ) + BIND ( iri(concat("https://identifiers.org/uniprot/", ?protId)) AS ?protIdoSameAs ) + BIND ( iri(concat("https://w3id.org/d2s/data/association/uniprot/go-term/", md5(concat(str(?protIdoUri), str(?classifiedWith))))) AS ?goAssociation ) +} \ No newline at end of file diff --git a/archived-datasets/uniprot/metadata/metadata-dataset-0-summary.rq b/archived-datasets/uniprot/metadata/metadata-dataset-0-summary.rq new file mode 100644 index 0000000..30a1f6d --- /dev/null +++ b/archived-datasets/uniprot/metadata/metadata-dataset-0-summary.rq @@ -0,0 +1,76 @@ +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: + +INSERT { + GRAPH { + + # Agent publishing the dataset + ?publisherUri a dct:Agent ; + foaf:name ?publisherName ; + foaf:page . + + # Summary + + rdf:type dctypes:Dataset; + dct:title "UniProt" ; + idot:preferredPrefix "uniprot" ; + dct:description "UniProt infos about Human proteins and organism classification as BioLink RDF. The Universal Protein Resource (UniProt) is a comprehensive resource for protein sequence and annotation data. The UniProt databases are the UniProt Knowledgebase (UniProtKB), the UniProt Reference Clusters (UniRef), and the UniProt Archive (UniParc)."@en; + dct:publisher ?publisherUri ; + + dct:license ; + # Human readable licenses terms + # dct:rights """Rights."""@en ; + + # The homepage of the dataset + foaf:page ; + # schemaorg:logo ; + + dcat:accessURL ; + # Specify the directory containing the file(s) of interest (not the direct file URL) + + dct:references ; + dcat:keyword "protein" ; + dcat:theme ; + # ncit:C48807 Chemical, ncit:C54708 drug interaction + + # dct:accrualPeriodicity freq:annual ; + # frequency of update: annual baseline is released in December of each year + + void:sparqlEndpoint "https://graphdb.dumontierlab.com/repositories/ncats-red-kg/statements" . + + ## MAY + # dct:references ; # Supporting material as web pages and documents (use cito for publications) + # cito:citesAsAuthority ; # publications about the dataset + # rdfs:seeAlso ; + + # dct:hasPart ; # if the dataset has multiple different parts (e.g. one for Drugs, one for Phenotypes) + # dct:alternative "Alternative label for dataset" ; + # idot:alternatePrefix "alternative_prefix"; + + + ## Needs to be updated at new submission + #pav:hasCurrentVersion ; + } +} WHERE { + BIND(NOW() AS ?now) + BIND ( "European Bioinformatics Institute (EMBL-EBI)" as ?publisherName) + BIND ( iri(concat("https://w3id.org/d2s/agent/", md5(?publisherName))) AS ?publisherUri ) +} diff --git a/archived-datasets/uniprot/metadata/metadata-dataset-1.rq b/archived-datasets/uniprot/metadata/metadata-dataset-1.rq new file mode 100644 index 0000000..a688b32 --- /dev/null +++ b/archived-datasets/uniprot/metadata/metadata-dataset-1.rq @@ -0,0 +1,163 @@ +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: + +INSERT { + GRAPH { + + # Agent publishing the RDF distribution + ?rdfPublisherUri a dct:Agent ; + foaf:name ?rdfPublisherName ; + foaf:page . + + # Version + ?versionUri + a dctypes:Dataset ; + dct:isVersionOf ?summaryUri ; + pav:version ?pavVersion ; + + dcat:distribution ; + # dcat:accessURL ; + + ## MAY + # dct:references ; # Supporting material as web pages and documents (use cito for publications) + # cito:citesAsAuthority ; # publications about the dataset + # rdfs:seeAlso ; + + dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:license ?sourceLicense ; + dct:publisher ?sourcePublisher ; + idot:preferredPrefix ?idotPreferredPrefix ; + dct:language ?dctLanguage ; + + # TODO: should we put the date of the source release? + dct:issued ?now . + + # TODO: should we have a different license than the summary? + # dct:license ; + + # Same for creator and publisher, should it be HPO for the version? + # dct:creator ; + # dct:publisher ; + + ### RDF Distribution description + + a dcat:Distribution, void:Dataset ; + # TODO: should we use the same pav:version as the source for RDF distribution? + pav:version ?pavVersion ; + # TODO: and should we use the version in RDF distribution URI? After / or # ? + # # more convenient to do strafter() and extract version number + + # TODO: What should be data2services BioLink RDF license? + dct:license ; + + # void:exampleResource ; + + # TODO: should we point createdWith to the SPARQL mappings? Or d2s-cli URL? + pav:createdWith ; + + # Which publisher for RDF BioLink Dataset? IDS by default + dct:publisher ?rdfPublisherUri ; + dct:creator ?rdfPublisherUri ; + + dct:source ?distributionSourceUri ; + dct:language ?dctLanguage ; + void:vocabulary ; + + # TODO: Use dcat:accessURL to specify a directory containing the file(s) of interest. + dcat:accessURL ; + dcat:downloadURL ; + void:dataDump ; + dcat:mediaType "application/n-quads" ; + + dct:title ?rdfDctTitle ; + dct:description ?rdfDctDistribution ; + dct:conformsTo ?hclsDataset ; + idot:preferredPrefix ?idotPreferredPrefix ; + dct:created ?now . + + # MAY + # pav:previousVersion ; + # idot:accessIdentifierPattern "^http://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL\\d+" ; + # idot:identifierPattern "CHEMBL\\d+"^^xsd:string ; + # void:uriRegexPattern "http://rdf.ebi.ac.uk/resource/chembl/target/CHEMBL\\d+" ; + # idot:accessPattern "http://identifiers.org/chembl.compound/"; + # idot:exampleIdentifier "CHEMBL_TC_4803"^^xsd:string ; + + ### Source distribution (non-RDF) description + ?distributionSourceUri + a dcat:Distribution ; + dct:format "application/n-quads" ; + dcat:downloadURL ; + + # idot:exampleIdentifier "DB00001"^^xsd:string ; + + # TODO: should we put issues? + + # TODO: Same publisher as source? + dct:publisher ?sourcePublisher ; + dct:creator ?sourcePublisher ; + pav:version ?pavVersion ; + + dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:rights ?dctRights ; + dct:license ?sourceLicense ; + idot:preferredPrefix ?idotPreferredPrefix ; + pav:retrievedOn ?now ; + dct:language ?dctLanguage ; + dct:conformsTo ?hclsDataset . + + # MAY + # pav:previousVersion ; + # idot:accessPattern "http://identifiers.org/drugbank:" ; + } +} WHERE { + # Version of the source dataset + BIND("1"^^xsd:string AS ?pavVersion) + + BIND( AS ?summaryUri) + BIND( AS ?dctLanguage) + + # Version of our RDF distribution version + BIND("1"^^xsd:string AS ?rdfPavVersion) + BIND(concat("N-Quads distribution of UniProt build #", ?rdfPavVersion) AS ?rdfDctTitle) + BIND(concat("N-Quads distribution of UniProt build #", ?rdfPavVersion, " produced by Data2Services on NOW()") AS ?rdfDctDescription) + + BIND(NOW() AS ?now) + # Get generic informations from summary + OPTIONAL { + ?summaryUri dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:license ?sourceLicense ; + dct:publisher ?sourcePublisher ; + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix . + } + + # Generates URIs from pav:version + BIND(iri(concat(str(?summaryUri), "/version#", str(?pavVersion))) AS ?versionUri) + BIND(iri(concat(str(?summaryUri), "/distribution/source#", str(?pavVersion))) AS ?distributionSourceUri) + BIND( AS ?hclsDataset) + + BIND ( "Institute of Data Science at Maastricht University" as ?rdfPublisherName) + BIND ( iri(concat("https://w3id.org/d2s/agent/", md5(?rdfPublisherName))) AS ?rdfPublisherUri ) +} diff --git a/archived-datasets/uniprot/process-uniprot.ipynb b/archived-datasets/uniprot/process-uniprot.ipynb new file mode 100644 index 0000000..3ab327c --- /dev/null +++ b/archived-datasets/uniprot/process-uniprot.ipynb @@ -0,0 +1,133 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# Process UniProt Data\n", + "\n", + "Jupyter Notebook to download and preprocess files to transform to BioLink RDF.\n", + "\n", + "### Download files\n", + "\n", + "The download can be defined:\n", + "* in this Jupyter Notebook using Python\n", + "* as a Bash script in the `download/download.sh` file, and executed using `d2s download uniprot`\n", + "\n" + ] + }, + { + "cell_type": "code", + "execution_count": 9, + "metadata": {}, + "outputs": [], + "source": [ + "import os\n", + "import glob\n", + "import requests\n", + "import functools\n", + "import shutil\n", + "import pandas as pd \n", + "\n", + "# Use Pandas, load file in memory\n", + "def convert_tsv_to_csv(tsv_file):\n", + " csv_table=pd.read_table(tsv_file,sep='\\t')\n", + " csv_table.to_csv(tsv_file[:-4] + '.csv',index=False)\n", + "\n", + "# Variables and path for the dataset\n", + "dataset_id = 'uniprot'\n", + "dsri_flink_pod_id = 'flink-jobmanager-###'\n", + "input_folder = '/notebooks/workspace/input/' + dataset_id\n", + "mapping_folder = '/notebooks/datasets/' + dataset_id + '/mapping'\n", + "os.makedirs(input_folder, exist_ok=True)" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "# Use input folder as working folder\n", + "os.chdir(input_folder)\n", + "\n", + "files_to_download = [\n", + " 'https://raw.githubusercontent.com/MaastrichtU-IDS/d2s-scripts-repository/master/resources/cohd-sample/concepts.tsv'\n", + "]\n", + "\n", + "# Download each file and uncompress them if needed\n", + "# Use Bash because faster and more reliable than Python\n", + "for download_url in files_to_download:\n", + " os.system('wget -N ' + download_url)\n", + " os.system('find . -name \"*.tar.gz\" -exec tar -xzvf {} \\;')\n", + " os.system('unzip -o \\*.zip')\n", + "\n", + "# Rename .txt to .tsv\n", + "listing = glob.glob('*.txt')\n", + "for filename in listing:\n", + " os.rename(filename, filename[:-4] + '.tsv')\n", + "\n", + " \n", + "## Convert TSV to CSV to be processed with the RMLStreamer\n", + "# use Pandas (load in memory)\n", + "convert_tsv_to_csv('concepts.tsv')\n", + "# Use Bash \n", + "# cmd_convert_csv = \"\"\"sed -e 's/\"/\\\\\"/g' -e 's/\\t/\",\"/g' -e 's/^/\"/' -e 's/$/\"/' -e 's/\\r//' concepts.tsv > concepts.csv\"\"\"\n", + "# os.system(cmd_convert_csv)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Process and load concepts\n", + "\n", + "We will use CWL workflows to integrate data with SPARQL queries. The structured data is first converted to a generic RDF based on the data structure, then mapped to BioLink using SPARQL. The SPARQL queries are defined in `.rq` files and can be [accessed on GitHub](https://github.com/MaastrichtU-IDS/d2s-project-template/tree/master/datasets/uniprot/mapping).\n", + "\n", + "Start the required services (here on our server, defined by the `-d trek` arg):\n", + "\n", + "```bash\n", + "d2s start tmp-virtuoso drill -d trek\n", + "```\n", + "\n", + "Run one of the following d2s command in the d2s-project folder:\n", + "\n", + "```bash\n", + "d2s run csv-virtuoso.cwl uniprot\n", + "d2s run xml-virtuoso.cwl uniprot\n", + "```\n", + "\n", + "[HCLS metadata](https://www.w3.org/TR/hcls-dataset/) can be computed for the uniprot graph:\n", + "\n", + "```bash\n", + "d2s run compute-hcls-metadata.cwl uniprot\n", + "```\n", + "\n", + "## Load the BioLink model\n", + "\n", + "Load the [BioLink model ontology as Turtle](https://github.com/biolink/biolink-model/blob/master/biolink-model.ttl) in the graph `https://w3id.org/biolink/biolink-model` in the triplestore\n" + ] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 3", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.8.2" + } + }, + "nbformat": 4, + "nbformat_minor": 4 +} \ No newline at end of file diff --git a/archived-datasets/wikipathways/config.yml b/archived-datasets/wikipathways/config.yml new file mode 100644 index 0000000..86f8077 --- /dev/null +++ b/archived-datasets/wikipathways/config.yml @@ -0,0 +1,56 @@ + +dataset_to_process: "wikipathways" + +## For XML workflows +# dir_to_process: +# class: Directory +# path: ../../workspace/input/wikipathways + +sparql_final_graph_uri: "https://w3id.org/d2s/graph/wikipathways" + + +# Final SPARQL endpoint to load the BioLink RDF +# Add /statements for RDF4J server like GraphDB +sparql_final_triplestore_url: "https://graphdb.dumontierlab.com/repositories/ncats-red-kg/statements" +# sparql_final_triplestore_url: "http://graphdb:7200/repositories/demo/statements" + +sparql_final_triplestore_username: "dba" +sparql_final_triplestore_password: "dba" + +# R2RML params +input_data_jdbc: "jdbc:drill:drillbit=drill:31010" + +# Temporary triplestore (e.g. Virtuoso). TODO: improve +sparql_tmp_service_url: "http://tmp-virtuoso:8890/sparql" +# sparql_tmp_service_url: "http://blazegraph:8082/bigdata/sparql" + +sparql_tmp_triplestore_url: "http://tmp-virtuoso:8890/sparql" +# sparql_tmp_triplestore_url: "http://blazegraph:8082/bigdata/sparql" +sparql_tmp_triplestore_username: "dba" +sparql_tmp_triplestore_password: "dba" + +sparql_tmp_graph_uri: "https://w3id.org/d2s/graph/autor2rml" +# sparql_tmp_graph_uri: "https://w3id.org/d2s/graph/xml2rdf" + +tmp_triplestore_container_id: "d2s-tmp-virtuoso" +tmp_triplestore_load_dir: "/usr/local/virtuoso-opensource/var/lib/virtuoso/db" + +# Split params +# split_property: "https://w3id.org/biolink/vocab/has_participant" +# split_class: "https://w3id.org/biolink/vocab/GeneGrouping" +# split_delimiter: "," +# split_quote: '"' + +sparql_transform_queries_path: "mapping" +sparql_insert_metadata_path: "metadata" + +cwl_workflow_filename: "csv-virtuoso.cwl" +# cwl_workflow_filename: "xml-virtuoso.cwl" + +config_dir: + class: Directory + path: . + +cwl_dir: + class: Directory + path: ../../d2s-core \ No newline at end of file diff --git a/archived-datasets/wikipathways/download/download.sh b/archived-datasets/wikipathways/download/download.sh new file mode 100755 index 0000000..094ced5 --- /dev/null +++ b/archived-datasets/wikipathways/download/download.sh @@ -0,0 +1,17 @@ +#!/bin/bash + +## Download sample TSV files from GitHub (OMOP CDM mappings, about 15M) +# wget -N https://raw.githubusercontent.com/MaastrichtU-IDS/d2s-scripts-repository/master/resources/cohd-sample/concepts.tsv + + +# UNTAR recursively all .tar.gz files in current dir +# find . -name "*.tar.gz" -exec tar -xzvf {} \; + +# UNZIP files +# unzip -o \*.zip + +## RENAME EXTENSION (e.g.: txt in tsv) +# rename s/\.txt/.tsv/ *.txt + +# Convert TSV to CSV for RMLStreamer +# sed -e 's/"/\\"/g' -e 's/\t/","/g' -e 's/^/"/' -e 's/$/"/' -e 's/\r//' concepts.tsv > concepts.csv diff --git a/archived-datasets/wikipathways/mapping/insert_wikipathways_Complex.rq b/archived-datasets/wikipathways/mapping/insert_wikipathways_Complex.rq new file mode 100644 index 0000000..061599c --- /dev/null +++ b/archived-datasets/wikipathways/mapping/insert_wikipathways_Complex.rq @@ -0,0 +1,69 @@ +PREFIX d2sgeneric: +PREFIX d2smodel: +PREFIX rdfs: +PREFIX owl: +PREFIX dc: +PREFIX dct: +PREFIX bl: +PREFIX w3idvocab: +PREFIX oban: +PREFIX wp: +# http://sparql.wikipathways.org/sparql +# Don't stop processing. But if used as select * it resolves in seconds. So the insert should work +INSERT +{ + GRAPH { + ?dataNode a bl:MacromolecularComplex ; + dc:identifier ?id ; + bl:id ?dataNodeId ; + bl:name ?label ; + bl:part_of ?isPartOf ; + #bl:systematic_synonym ?xrefHgncString ; + #bl:same_as ?xrefUniprot ; + #bl:same_as ?xrefNcbigene ; + #bl:same_as ?xrefChebi ; + #bl:same_as ?xrefPubchem ; + bl:same_as ?xrefWikidata . + #bl:same_as ?xrefHmdb ; + #bl:same_as ?xrefChemspider + + ?participants bl:part_of ?dataNode . # for being wp:participants + } +} +WHERE { + SERVICE { + GRAPH { + ?dataNode a wp:Complex . + BIND (str(?dataNode) AS ?dataNodeId) + + OPTIONAL { + ?dataNode dc:identifier ?id . + } OPTIONAL { + ?dataNode rdfs:label ?label . + } OPTIONAL { + ?dataNode wp:participants ?participants . + } OPTIONAL { + ?dataNode dct:isPartOf ?isPartOf . + } OPTIONAL { + ?dataNode dct:bibliographicCitation ?citations . + } OPTIONAL { + ?dataNode wp:bdbUniprot ?xrefUniprot . + } OPTIONAL { + ?dataNode wp:bdbEntrezGene ?xrefNcbigene . + } OPTIONAL { + ?dataNode wp:bdbHgncSymbol ?xrefHgnc . + BIND (str(?xrefHgnc) AS ?xrefHgncString) + } OPTIONAL { + ?dataNode wp:bdbChEBI ?xrefChebi . + } OPTIONAL { + ?dataNode wp:bdbPubChem ?xrefPubchem . + } OPTIONAL { + ?dataNode wp:bdbWikidata ?xrefWikidata . + } OPTIONAL { + ?dataNode wp:bdbHmdb ?xrefHmdb . + } OPTIONAL { + ?dataNode wp:bdbChemspider ?xrefChemspider . + } + } + } +} \ No newline at end of file diff --git a/archived-datasets/wikipathways/mapping/insert_wikipathways_GeneProduct.rq.txt b/archived-datasets/wikipathways/mapping/insert_wikipathways_GeneProduct.rq.txt new file mode 100644 index 0000000..201fdf9 --- /dev/null +++ b/archived-datasets/wikipathways/mapping/insert_wikipathways_GeneProduct.rq.txt @@ -0,0 +1,80 @@ +PREFIX d2sgeneric: +PREFIX d2smodel: +PREFIX rdfs: +PREFIX owl: +PREFIX dc: +PREFIX dct: +PREFIX bl: +PREFIX w3idvocab: +PREFIX oban: +PREFIX wp: + +# Don't stop processing. But if used as select * it resolves in seconds. So the insert should work +INSERT +{ + GRAPH { + ?dataNode a bl:Gene ; + dc:identifier ?id ; + bl:id ?dataNodeId ; + bl:name ?label ; + bl:synonym ?title ; + bl:part_of ?isPartOf ; + #bl:systematic_synonym ?xrefHgncString ; # TODO: Gene to GeneProduct association? + #bl:same_as ?xrefUniprot ; + #bl:same_as ?xrefNcbigene ; + #bl:same_as ?xrefChebi ; + #bl:same_as ?xrefPubchem ; + bl:same_as ?xrefWikidata . + #bl:same_as ?xrefHmdb ; + #bl:same_as ?xrefChemspider + #?xrefHgnc a bl:Gene ; + # bl:id ?xrefHgncString . + + } +} +WHERE { + SERVICE { + GRAPH { + ?dataNode a wp:GeneProduct . + BIND (str(?dataNode) AS ?dataNodeId) + + OPTIONAL { + ?dataNode dc:identifier ?id . + } OPTIONAL { + ?dataNode rdfs:label ?label . + } OPTIONAL { + ?dataNode dct:title ?title . + } OPTIONAL { + ?dataNode dct:isPartOf ?isPartOf . + } OPTIONAL { + ?dataNode dct:bibliographicCitation ?citations . + } OPTIONAL { + ?dataNode wp:bdbUniprot ?xrefUniprot . + } OPTIONAL { + ?dataNode wp:bdbEntrezGene ?xrefNcbigene . + } OPTIONAL { + ?dataNode wp:bdbHgncSymbol ?xrefHgnc . + BIND (str(?xrefHgnc) AS ?xrefHgncString) + } OPTIONAL { + ?dataNode wp:bdbChEBI ?xrefChebi . + } OPTIONAL { + ?dataNode wp:bdbPubChem ?xrefPubchem . + } OPTIONAL { + ?dataNode wp:bdbWikidata ?xrefWikidata . + } OPTIONAL { + ?dataNode wp:bdbHmdb ?xrefHmdb . + } OPTIONAL { + ?dataNode wp:bdbChemspider ?xrefChemspider . + } + + VALUES (?inputNodeType ?outputNodeType) { + ( wp:GeneProduct bl:geneProduct ) + ( wp:Protein bl:Protein ) + ( wp:Metabolite bl:ChemicalSubstance ) # Not true Metabolite + ( wp:Rna bl:Transcript ) + ( wp:Complex bl:MacromolecularComplex ) + (UNDEF bl:MolecularEntity ) + } + } + } +} \ No newline at end of file diff --git a/archived-datasets/wikipathways/mapping/insert_wikipathways_Metabolite.rq b/archived-datasets/wikipathways/mapping/insert_wikipathways_Metabolite.rq new file mode 100644 index 0000000..1f38938 --- /dev/null +++ b/archived-datasets/wikipathways/mapping/insert_wikipathways_Metabolite.rq @@ -0,0 +1,66 @@ +PREFIX d2sgeneric: +PREFIX d2smodel: +PREFIX rdfs: +PREFIX owl: +PREFIX dc: +PREFIX dct: +PREFIX bl: +PREFIX w3idvocab: +PREFIX oban: +PREFIX wp: + +# Don't stop processing. But if used as select * it resolves in seconds. So the insert should work +INSERT +{ + GRAPH { + ?dataNode a bl:ChemicalSubstance ; + dc:identifier ?id ; + bl:id ?dataNodeId ; + bl:name ?label ; + bl:part_of ?isPartOf ; + #bl:systematic_synonym ?xrefHgncString ; + #bl:same_as ?xrefUniprot ; + #bl:same_as ?xrefNcbigene ; + #bl:same_as ?xrefChebi ; + #bl:same_as ?xrefPubchem ; + bl:same_as ?xrefWikidata ; + #bl:same_as ?xrefHmdb ; + bl:same_as ?xrefChemspider . + } +} +WHERE { + SERVICE { + GRAPH { + ?dataNode a wp:Metabolite . + BIND (str(?dataNode) AS ?dataNodeId) + + OPTIONAL { + ?dataNode dc:identifier ?id . + } OPTIONAL { + ?dataNode rdfs:label ?label . + } OPTIONAL { + ?dataNode dct:isPartOf ?isPartOf . + } OPTIONAL { + ?dataNode dct:bibliographicCitation ?citations . + } OPTIONAL { + ?dataNode wp:bdbUniprot ?xrefUniprot . + } OPTIONAL { + ?dataNode wp:bdbEntrezGene ?xrefNcbigene . + } OPTIONAL { + ?dataNode wp:bdbHgncSymbol ?xrefHgnc . + BIND (str(?xrefHgnc) AS ?xrefHgncString) + } OPTIONAL { + ?dataNode wp:bdbChEBI ?xrefChebi . + } OPTIONAL { + ?dataNode wp:bdbPubChem ?xrefPubchem . + } OPTIONAL { + ?dataNode wp:bdbWikidata ?xrefWikidata . + } OPTIONAL { + ?dataNode wp:bdbHmdb ?xrefHmdb . + } OPTIONAL { + ?dataNode wp:bdbChemspider ?xrefChemspider . + } + + } + } +} \ No newline at end of file diff --git a/archived-datasets/wikipathways/mapping/insert_wikipathways_Protein.rq.txt b/archived-datasets/wikipathways/mapping/insert_wikipathways_Protein.rq.txt new file mode 100644 index 0000000..e18d514 --- /dev/null +++ b/archived-datasets/wikipathways/mapping/insert_wikipathways_Protein.rq.txt @@ -0,0 +1,70 @@ +PREFIX d2sgeneric: +PREFIX d2smodel: +PREFIX rdfs: +PREFIX owl: +PREFIX dc: +PREFIX dct: +PREFIX bl: +PREFIX w3idvocab: +PREFIX oban: +PREFIX wp: + +INSERT +{ + GRAPH { + ?dataNode a ?type ; + bl:name ?label ; # Conflict with Uniprot? + dc:identifier ?id ; + bl:id ?dataNodeId ; # Multiple bl:id fail ShEx validation? + bl:part_of ?isPartOf ; + #bl:systematic_synonym ?xrefHgncString ; # TODO: GeneToGeneProductRelationship has_gene_product + #bl:same_as ?xrefUniprot ; # point to different proteins + #bl:same_as ?xrefNcbigene ; # TODO: GeneToGeneProductRelationship has_gene_product + #bl:same_as ?xrefChebi ; + #bl:same_as ?xrefPubchem ; + bl:same_as ?xrefWikidata . + #bl:same_as ?xrefHmdb ; + #bl:same_as ?xrefChemspider + } +} +WHERE { + SERVICE { + GRAPH { + ?dataNode a wp:Protein . + BIND (str(?dataNode) AS ?dataNodeId) + + OPTIONAL { + ?dataNode dc:identifier ?id . + } OPTIONAL { + ?dataNode rdfs:label ?label . + } OPTIONAL { + ?dataNode dct:isPartOf ?isPartOf . + } OPTIONAL { + ?dataNode dct:bibliographicCitation ?citations . + } OPTIONAL { + ?dataNode wp:bdbUniprot ?xrefUniprot . + } OPTIONAL { + ?dataNode wp:bdbEntrezGene ?xrefNcbigene . + } OPTIONAL { + ?dataNode wp:bdbHgncSymbol ?xrefHgnc . + BIND (str(?xrefHgnc) AS ?xrefHgncString) + } OPTIONAL { + ?dataNode wp:bdbChEBI ?xrefChebi . + } OPTIONAL { + ?dataNode wp:bdbPubChem ?xrefPubchem . + } OPTIONAL { + ?dataNode wp:bdbWikidata ?xrefWikidata . + } OPTIONAL { + ?dataNode wp:bdbHmdb ?xrefHmdb . + } OPTIONAL { + ?dataNode wp:bdbChemspider ?xrefChemspider . + } + + BIND(bl:GeneOrGeneProduct AS ?bufferType) # bl:Protein when uniprot vs bl:Gene when HGNC? + BIND( if( strstarts(str(?dataNode), "http://identifiers.org/uniprot/"), + bl:Protein , + ?bufferType ) + AS ?type ) + } + } +} \ No newline at end of file diff --git a/archived-datasets/wikipathways/mapping/insert_wikipathways_Rna.rq b/archived-datasets/wikipathways/mapping/insert_wikipathways_Rna.rq new file mode 100644 index 0000000..b45fcd0 --- /dev/null +++ b/archived-datasets/wikipathways/mapping/insert_wikipathways_Rna.rq @@ -0,0 +1,80 @@ +PREFIX d2sgeneric: +PREFIX d2smodel: +PREFIX rdfs: +PREFIX owl: +PREFIX dc: +PREFIX dct: +PREFIX bl: +PREFIX w3idvocab: +PREFIX oban: +PREFIX wp: + +INSERT +{ + GRAPH { + ?dataNode a bl:Transcript ; + dc:identifier ?id ; + bl:id ?dataNodeId ; + bl:name ?label ; + bl:part_of ?isPartOf ; + #bl:same_as ?xrefUniprot ; # TODO: GeneToGeneProductRelationship has_gene_product + bl:same_as ?xrefNcbigene ; + #bl:same_as ?xrefChebi ; + #bl:same_as ?xrefPubchem ; + bl:same_as ?xrefWikidata . + #bl:same_as ?xrefHmdb ; + #bl:same_as ?xrefChemspider + + ?directedInteraction a bl:TranscriptToGeneRelationship ; # GeneProduct to Interaction association + bl:id ?directedInteractionId ; + bl:subject ?dataNode ; # GeneProduct + bl:relation bl:produces ; # TODO: Right relation? + bl:object ?xrefHgnc . + + ?xrefHgnc a bl:Gene ; + bl:id ?xrefHgncString . + + #?directedInteraction a bl:GeneToGeneProductRelationship ; # TODO: How to link RNA and gene product? + # bl:id ?directedInteractionId ; + # bl:subject ?dataNode ; + # bl:relation bl:has_gene_product ; + # bl:object ?xrefUniprot . + #?xrefUniprotId a bl:Protein . + } +} +WHERE { + SERVICE { + GRAPH { + ?dataNode a wp:Rna . + BIND (str(?dataNode) AS ?dataNodeId) + + OPTIONAL { + ?dataNode dc:identifier ?id . + } OPTIONAL { + ?dataNode rdfs:label ?label . + } OPTIONAL { + ?dataNode dct:isPartOf ?isPartOf . + } OPTIONAL { + ?dataNode dct:bibliographicCitation ?citations . + } OPTIONAL { + ?dataNode wp:bdbUniprot ?xrefUniprot . + BIND (str(?xrefUniprot) AS ?xrefUniprotId) + } OPTIONAL { + ?dataNode wp:bdbEntrezGene ?xrefNcbigene . + } OPTIONAL { + ?dataNode wp:bdbHgncSymbol ?xrefHgnc . + BIND (str(?xrefHgnc) AS ?xrefHgncString) + } OPTIONAL { + ?dataNode wp:bdbChEBI ?xrefChebi . + } OPTIONAL { + ?dataNode wp:bdbPubChem ?xrefPubchem . + } OPTIONAL { + ?dataNode wp:bdbWikidata ?xrefWikidata . + } OPTIONAL { + ?dataNode wp:bdbHmdb ?xrefHmdb . + } OPTIONAL { + ?dataNode wp:bdbChemspider ?xrefChemspider . + } + } + } +} \ No newline at end of file diff --git a/archived-datasets/wikipathways/mapping/insert_wikipathways_interaction_Catalysis.rq b/archived-datasets/wikipathways/mapping/insert_wikipathways_interaction_Catalysis.rq new file mode 100644 index 0000000..6093d2e --- /dev/null +++ b/archived-datasets/wikipathways/mapping/insert_wikipathways_interaction_Catalysis.rq @@ -0,0 +1,43 @@ +PREFIX d2sgeneric: +PREFIX d2smodel: +PREFIX rdfs: +PREFIX owl: +PREFIX dc: +PREFIX dct: +PREFIX bl: +PREFIX w3idvocab: +PREFIX oban: +PREFIX wp: +INSERT +{ + GRAPH { + + ?directedInteraction a bl:GeneToThingAssociation ; # GeneProduct to Interaction association + bl:id ?directedInteractionId ; + bl:subject ?source ; # GeneProduct + bl:relation bl:increases_activity_of ; # or increases_response_to + bl:object ?target ; # Interaction + bl:publications ?citation ; + bl:part_of ?isPartOf . # Interaction in this pathway + + } +} +WHERE { + SERVICE { + GRAPH { + + # Catalysis: A process where a chemical reaction is enhanced by the action of a catalyst. + + ?directedInteraction a wp:Catalysis ; + wp:source ?source ; + wp:target ?target ; + dct:isPartOf ?isPartOf . + BIND( str(?directedInteraction) AS ?directedInteractionId) + + OPTIONAL { + ?directedInteraction dct:bibliographicCitation ?citation . + } + +} +} +} \ No newline at end of file diff --git a/archived-datasets/wikipathways/mapping/insert_wikipathways_interaction_Conversion.rq b/archived-datasets/wikipathways/mapping/insert_wikipathways_interaction_Conversion.rq new file mode 100644 index 0000000..63cb483 --- /dev/null +++ b/archived-datasets/wikipathways/mapping/insert_wikipathways_interaction_Conversion.rq @@ -0,0 +1,47 @@ +PREFIX d2sgeneric: +PREFIX d2smodel: +PREFIX rdfs: +PREFIX owl: +PREFIX dc: +PREFIX dct: +PREFIX bl: +PREFIX w3idvocab: +PREFIX oban: +PREFIX wp: +INSERT +{ + GRAPH { + + ?directedInteraction a bl:ChemicalToThingAssociation ; # Chemical causing molecular modification (conversion) to another Chemical + bl:id ?directedInteractionId ; + bl:subject ?source ; + bl:relation bl:disrupts ; + bl:object ?target ; + bl:publications ?citation ; + bl:part_of ?isPartOf . # Interaction in this pathway + } +} +WHERE { + SERVICE { + GRAPH { + + # Binding: A binding interaction between two physical entities resulting in the formation of an explicit complex that is reversible without an external factor (e.g. protein complexes). + # ComplexBinding: A binding interaction that specifically leads to the formation of a complex. + # Multiple wp:participants. So we don't take at the moment + + # Conversion: A process in which a biological entity gets converted into another entity. This could be a metabolic conversion where compound gets chemical modified. + + ?directedInteraction a ?interactionType ; + wp:source ?source ; + wp:target ?target ; # Interacts_with http://purl.obolibrary.org/obo/RO_0002434 + dct:isPartOf ?isPartOf . + BIND( str(?directedInteraction) AS ?directedInteractionId) + + OPTIONAL { + ?directedInteraction dct:bibliographicCitation ?citation . + } + + #FILTER(?interactionType IN (wp:Conversion , wp:ComplexBinding , wp:Binding )) +} +} +} \ No newline at end of file diff --git a/archived-datasets/wikipathways/mapping/insert_wikipathways_interaction_Inhibition.rq b/archived-datasets/wikipathways/mapping/insert_wikipathways_interaction_Inhibition.rq new file mode 100644 index 0000000..d3df943 --- /dev/null +++ b/archived-datasets/wikipathways/mapping/insert_wikipathways_interaction_Inhibition.rq @@ -0,0 +1,43 @@ +PREFIX d2sgeneric: +PREFIX d2smodel: +PREFIX rdfs: +PREFIX owl: +PREFIX dc: +PREFIX dct: +PREFIX bl: +PREFIX w3idvocab: +PREFIX oban: +PREFIX wp: +INSERT +{ + GRAPH { + + ?directedInteraction a bl:GeneToThingAssociation ; # GeneProduct/Metabolite to GeneProduct association + bl:id ?directedInteractionId ; + bl:subject ?source ; # GeneProduct or Metabolite (bl:ChemicalSubstance) + bl:relation bl:decreases_activity_of ; + bl:object ?target ; # GeneProduct (or Interaction?) + bl:publications ?citation ; + bl:part_of ?isPartOf . # Interaction in this pathway + + } +} +WHERE { + SERVICE { + GRAPH { + + # Inhibition: A process in which one biological entity restrains, blocks, or suppresses another biological entity or interaction + + ?directedInteraction a wp:Inhibition ; + wp:source ?source ; + wp:target ?target ; + dct:isPartOf ?isPartOf . + BIND( str(?directedInteraction) AS ?directedInteractionId) + + OPTIONAL { + ?directedInteraction dct:bibliographicCitation ?citation . + } + +} +} +} \ No newline at end of file diff --git a/archived-datasets/wikipathways/mapping/insert_wikipathways_interaction_Stimulation.rq b/archived-datasets/wikipathways/mapping/insert_wikipathways_interaction_Stimulation.rq new file mode 100644 index 0000000..8b8b5eb --- /dev/null +++ b/archived-datasets/wikipathways/mapping/insert_wikipathways_interaction_Stimulation.rq @@ -0,0 +1,44 @@ +PREFIX d2sgeneric: +PREFIX d2smodel: +PREFIX rdfs: +PREFIX owl: +PREFIX dc: +PREFIX dct: +PREFIX bl: +PREFIX w3idvocab: +PREFIX oban: +PREFIX wp: +INSERT +{ + GRAPH { + # Use https://biolink.github.io/biolink-model/docs/affects.html + + ?directedInteraction a bl:GeneToThingAssociation ; # Gene to Interaction (process) association + bl:id ?directedInteractionId ; + bl:subject ?source ; # GeneProduct + bl:relation bl:increases_activity_of ; + bl:object ?target ; # Interaction + bl:publications ?citation ; + bl:part_of ?isPartOf . # Interaction in this pathway + + } +} +WHERE { + SERVICE { + GRAPH { + + # Stimulation: An interaction in which the source entity enhances the raate or extent of another reaction or entity + + ?directedInteraction a wp:Stimulation ; + wp:source ?source ; + wp:target ?target ; + dct:isPartOf ?isPartOf . + BIND( str(?directedInteraction) AS ?directedInteractionId) + + OPTIONAL { + ?directedInteraction dct:bibliographicCitation ?citation . + } + +} +} +} \ No newline at end of file diff --git a/archived-datasets/wikipathways/mapping/insert_wikipathways_interaction_TranscriptionTranslation.rq b/archived-datasets/wikipathways/mapping/insert_wikipathways_interaction_TranscriptionTranslation.rq new file mode 100644 index 0000000..30f2933 --- /dev/null +++ b/archived-datasets/wikipathways/mapping/insert_wikipathways_interaction_TranscriptionTranslation.rq @@ -0,0 +1,43 @@ +PREFIX d2sgeneric: +PREFIX d2smodel: +PREFIX rdfs: +PREFIX owl: +PREFIX dc: +PREFIX dct: +PREFIX bl: +PREFIX w3idvocab: +PREFIX oban: +PREFIX wp: +INSERT +{ + GRAPH { + + ?directedInteraction a bl:GeneToGeneAssociation ; # GeneProduct to Interaction association + bl:id ?directedInteractionId ; + bl:subject ?source ; # GeneProduct + bl:relation bl:affects_expression_of ; + bl:object ?target ; # GeneProduct + bl:part_of ?isPartOf ; # Interaction in this pathway + bl:publications ?citation . + + } +} +WHERE { + SERVICE { + GRAPH { + + # TranscriptionTranslation: An interaction in which the source entity regulates or influences in the transcription or translation of a target entity. Also referred to as a Template Reaction. + + ?directedInteraction a wp:TranscriptionTranslation ; + wp:source ?source ; + wp:target ?target ; + dct:isPartOf ?isPartOf . + BIND( str(?directedInteraction) AS ?directedInteractionId) + + OPTIONAL { + ?directedInteraction dct:bibliographicCitation ?citation . + } + +} +} +} \ No newline at end of file diff --git a/archived-datasets/wikipathways/mapping/insert_wikipathways_pathways.rq b/archived-datasets/wikipathways/mapping/insert_wikipathways_pathways.rq new file mode 100644 index 0000000..16562ad --- /dev/null +++ b/archived-datasets/wikipathways/mapping/insert_wikipathways_pathways.rq @@ -0,0 +1,49 @@ +PREFIX d2sgeneric: +PREFIX d2smodel: +PREFIX rdfs: +PREFIX owl: +PREFIX dc: +PREFIX dct: +PREFIX bl: +PREFIX w3idvocab: +PREFIX oban: +PREFIX wp: +INSERT +{ + GRAPH { + # See https://graphdb.dumontierlab.com/resource?uri=https:%2F%2Fmonarchinitiative.org%2FMONARCH_0005916c58ab2315 + + ?pathwayUri a bl:Pathway ; + # link using https://biolink.github.io/biolink-model/docs/AnatomicalEntityToAnatomicalEntityPartOfAssociation.html ? + bl:name ?pathwayName ; + bl:id ?pathwayUriId ; + dc:identifier ?pathwayId ; + bl:description ?pathwayDescription ; + bl:in_taxon ?pathwayOrganism . # or part_of? + #bl:publications ?pathwayReferences . + + ?pathwayOrganism a bl:OrganismTaxon . + } +} +WHERE { + SERVICE { + GRAPH { + ?pathwayUri a wp:Pathway . + BIND (str(?pathwayUri) AS ?pathwayUriId) + # https://graphdb.dumontierlab.com/resource?uri=http:%2F%2Fidentifiers.org%2Fwikipathways%2FWP107_r89328 + + OPTIONAL { + ?pathwayUri dct:references ?pathwayReferences . + } OPTIONAL { + ?pathwayUri dc:title ?pathwayName . + } OPTIONAL { + ?pathwayUri dct:identifier ?pathwayId . + } OPTIONAL { + ?pathwayUri dct:description ?pathwayDescription . + } OPTIONAL { + ?pathwayUri wp:organism ?pathwayOrganism . + } + +} +} +} \ No newline at end of file diff --git a/archived-datasets/wikipathways/metadata/metadata-dataset-0-summary.rq b/archived-datasets/wikipathways/metadata/metadata-dataset-0-summary.rq new file mode 100644 index 0000000..f081fd1 --- /dev/null +++ b/archived-datasets/wikipathways/metadata/metadata-dataset-0-summary.rq @@ -0,0 +1,76 @@ +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: + +INSERT { + GRAPH { + + # Agent publishing the dataset + ?publisherUri a dct:Agent ; + foaf:name ?publisherName ; + foaf:page . + + # Summary + + rdf:type dctypes:Dataset; + dct:title "WikiPathways" ; + idot:preferredPrefix "wikipathways" ; + dct:description "Curated and Reactome pathways Model for pathway databases that enhances and complements ongoing efforts, such as KEGG, Reactome and Pathway Commons. Building on the same MediaWiki software that powers Wikipedia, we added a custom graphical pathway editing tool and integrated databases covering major gene, protein, and small-molecule systems."@en; + dct:publisher ?publisherUri ; + + dct:license ; + # Human readable licenses terms + # dct:rights """Rights."""@en ; + + # The homepage of the dataset + foaf:page ; + # schemaorg:logo ; + + dcat:accessURL ; + # Specify the directory containing the file(s) of interest (not the direct file URL) + + dct:references ; + dcat:keyword "pathways" ; + dcat:theme ; + # ncit:C48807 Chemical, ncit:C54708 drug interaction + + # dct:accrualPeriodicity freq:annual ; + # frequency of update: annual baseline is released in December of each year + + void:sparqlEndpoint "https://graphdb.dumontierlab.com/repositories/ncats-red-kg/statements" . + + ## MAY + # dct:references ; # Supporting material as web pages and documents (use cito for publications) + # cito:citesAsAuthority ; # publications about the dataset + # rdfs:seeAlso ; + + # dct:hasPart ; # if the dataset has multiple different parts (e.g. one for Drugs, one for Phenotypes) + # dct:alternative "Alternative label for dataset" ; + # idot:alternatePrefix "alternative_prefix"; + + + ## Needs to be updated at new submission + #pav:hasCurrentVersion ; + } +} WHERE { + BIND(NOW() AS ?now) + BIND ( "WikiPathways" as ?publisherName) + BIND ( iri(concat("https://w3id.org/d2s/agent/", md5(?publisherName))) AS ?publisherUri ) +} diff --git a/archived-datasets/wikipathways/metadata/metadata-dataset-1.rq b/archived-datasets/wikipathways/metadata/metadata-dataset-1.rq new file mode 100644 index 0000000..8c27b7b --- /dev/null +++ b/archived-datasets/wikipathways/metadata/metadata-dataset-1.rq @@ -0,0 +1,163 @@ +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: + +INSERT { + GRAPH { + + # Agent publishing the RDF distribution + ?rdfPublisherUri a dct:Agent ; + foaf:name ?rdfPublisherName ; + foaf:page . + + # Version + ?versionUri + a dctypes:Dataset ; + dct:isVersionOf ?summaryUri ; + pav:version ?pavVersion ; + + dcat:distribution ; + # dcat:accessURL ; + + ## MAY + # dct:references ; # Supporting material as web pages and documents (use cito for publications) + # cito:citesAsAuthority ; # publications about the dataset + # rdfs:seeAlso ; + + dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:license ?sourceLicense ; + dct:publisher ?sourcePublisher ; + idot:preferredPrefix ?idotPreferredPrefix ; + dct:language ?dctLanguage ; + + # TODO: should we put the date of the source release? + dct:issued ?now . + + # TODO: should we have a different license than the summary? + # dct:license ; + + # Same for creator and publisher, should it be HPO for the version? + # dct:creator ; + # dct:publisher ; + + ### RDF Distribution description + + a dcat:Distribution, void:Dataset ; + # TODO: should we use the same pav:version as the source for RDF distribution? + pav:version ?pavVersion ; + # TODO: and should we use the version in RDF distribution URI? After / or # ? + # # more convenient to do strafter() and extract version number + + # TODO: What should be data2services BioLink RDF license? + dct:license ; + + # void:exampleResource ; + + # TODO: should we point createdWith to the SPARQL mappings? Or d2s-cli URL? + pav:createdWith ; + + # Which publisher for RDF BioLink Dataset? IDS by default + dct:publisher ?rdfPublisherUri ; + dct:creator ?rdfPublisherUri ; + + dct:source ?distributionSourceUri ; + dct:language ?dctLanguage ; + void:vocabulary ; + + # TODO: Use dcat:accessURL to specify a directory containing the file(s) of interest. + dcat:accessURL ; + dcat:downloadURL ; + void:dataDump ; + dcat:mediaType "application/n-quads" ; + + dct:title ?rdfDctTitle ; + dct:description ?rdfDctDistribution ; + dct:conformsTo ?hclsDataset ; + idot:preferredPrefix ?idotPreferredPrefix ; + dct:created ?now . + + # MAY + # pav:previousVersion ; + # idot:accessIdentifierPattern "^http://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL\\d+" ; + # idot:identifierPattern "CHEMBL\\d+"^^xsd:string ; + # void:uriRegexPattern "http://rdf.ebi.ac.uk/resource/chembl/target/CHEMBL\\d+" ; + # idot:accessPattern "http://identifiers.org/chembl.compound/"; + # idot:exampleIdentifier "CHEMBL_TC_4803"^^xsd:string ; + + ### Source distribution (non-RDF) description + ?distributionSourceUri + a dcat:Distribution ; + dct:format "application/n-quads" ; + dcat:downloadURL ; + + # idot:exampleIdentifier "DB00001"^^xsd:string ; + + # TODO: should we put issues? + + # TODO: Same publisher as source? + dct:publisher ?sourcePublisher ; + dct:creator ?sourcePublisher ; + pav:version ?pavVersion ; + + dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:rights ?dctRights ; + dct:license ?sourceLicense ; + idot:preferredPrefix ?idotPreferredPrefix ; + pav:retrievedOn ?now ; + dct:language ?dctLanguage ; + dct:conformsTo ?hclsDataset . + + # MAY + # pav:previousVersion ; + # idot:accessPattern "http://identifiers.org/drugbank:" ; + } +} WHERE { + # Version of the source dataset + BIND("1"^^xsd:string AS ?pavVersion) + + BIND( AS ?summaryUri) + BIND( AS ?dctLanguage) + + # Version of our RDF distribution version + BIND("1"^^xsd:string AS ?rdfPavVersion) + BIND(concat("N-Quads distribution of WikiPathways build #", ?rdfPavVersion) AS ?rdfDctTitle) + BIND(concat("N-Quads distribution of WikiPathways build #", ?rdfPavVersion, " produced by Data2Services on NOW()") AS ?rdfDctDescription) + + BIND(NOW() AS ?now) + # Get generic informations from summary + OPTIONAL { + ?summaryUri dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:license ?sourceLicense ; + dct:publisher ?sourcePublisher ; + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix . + } + + # Generates URIs from pav:version + BIND(iri(concat(str(?summaryUri), "/version#", str(?pavVersion))) AS ?versionUri) + BIND(iri(concat(str(?summaryUri), "/distribution/source#", str(?pavVersion))) AS ?distributionSourceUri) + BIND( AS ?hclsDataset) + + BIND ( "Institute of Data Science at Maastricht University" as ?rdfPublisherName) + BIND ( iri(concat("https://w3id.org/d2s/agent/", md5(?rdfPublisherName))) AS ?rdfPublisherUri ) +} diff --git a/archived-datasets/wikipathways/process-wikipathways.ipynb b/archived-datasets/wikipathways/process-wikipathways.ipynb new file mode 100644 index 0000000..dec69e4 --- /dev/null +++ b/archived-datasets/wikipathways/process-wikipathways.ipynb @@ -0,0 +1,133 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# Process WikiPathways Data\n", + "\n", + "Jupyter Notebook to download and preprocess files to transform to BioLink RDF.\n", + "\n", + "### Download files\n", + "\n", + "The download can be defined:\n", + "* in this Jupyter Notebook using Python\n", + "* as a Bash script in the `download/download.sh` file, and executed using `d2s download wikipathways`\n", + "\n" + ] + }, + { + "cell_type": "code", + "execution_count": 9, + "metadata": {}, + "outputs": [], + "source": [ + "import os\n", + "import glob\n", + "import requests\n", + "import functools\n", + "import shutil\n", + "import pandas as pd \n", + "\n", + "# Use Pandas, load file in memory\n", + "def convert_tsv_to_csv(tsv_file):\n", + " csv_table=pd.read_table(tsv_file,sep='\\t')\n", + " csv_table.to_csv(tsv_file[:-4] + '.csv',index=False)\n", + "\n", + "# Variables and path for the dataset\n", + "dataset_id = 'wikipathways'\n", + "dsri_flink_pod_id = 'flink-jobmanager-###'\n", + "input_folder = '/notebooks/workspace/input/' + dataset_id\n", + "mapping_folder = '/notebooks/datasets/' + dataset_id + '/mapping'\n", + "os.makedirs(input_folder, exist_ok=True)" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "# Use input folder as working folder\n", + "os.chdir(input_folder)\n", + "\n", + "files_to_download = [\n", + " 'https://raw.githubusercontent.com/MaastrichtU-IDS/d2s-scripts-repository/master/resources/cohd-sample/concepts.tsv'\n", + "]\n", + "\n", + "# Download each file and uncompress them if needed\n", + "# Use Bash because faster and more reliable than Python\n", + "for download_url in files_to_download:\n", + " os.system('wget -N ' + download_url)\n", + " os.system('find . -name \"*.tar.gz\" -exec tar -xzvf {} \\;')\n", + " os.system('unzip -o \\*.zip')\n", + "\n", + "# Rename .txt to .tsv\n", + "listing = glob.glob('*.txt')\n", + "for filename in listing:\n", + " os.rename(filename, filename[:-4] + '.tsv')\n", + "\n", + " \n", + "## Convert TSV to CSV to be processed with the RMLStreamer\n", + "# use Pandas (load in memory)\n", + "convert_tsv_to_csv('concepts.tsv')\n", + "# Use Bash \n", + "# cmd_convert_csv = \"\"\"sed -e 's/\"/\\\\\"/g' -e 's/\\t/\",\"/g' -e 's/^/\"/' -e 's/$/\"/' -e 's/\\r//' concepts.tsv > concepts.csv\"\"\"\n", + "# os.system(cmd_convert_csv)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Process and load concepts\n", + "\n", + "We will use CWL workflows to integrate data with SPARQL queries. The structured data is first converted to a generic RDF based on the data structure, then mapped to BioLink using SPARQL. The SPARQL queries are defined in `.rq` files and can be [accessed on GitHub](https://github.com/MaastrichtU-IDS/d2s-project-template/tree/master/datasets/wikipathways/mapping).\n", + "\n", + "Start the required services (here on our server, defined by the `-d trek` arg):\n", + "\n", + "```bash\n", + "d2s start tmp-virtuoso drill -d trek\n", + "```\n", + "\n", + "Run one of the following d2s command in the d2s-project folder:\n", + "\n", + "```bash\n", + "d2s run csv-virtuoso.cwl wikipathways\n", + "d2s run xml-virtuoso.cwl wikipathways\n", + "```\n", + "\n", + "[HCLS metadata](https://www.w3.org/TR/hcls-dataset/) can be computed for the wikipathways graph:\n", + "\n", + "```bash\n", + "d2s run compute-hcls-metadata.cwl wikipathways\n", + "```\n", + "\n", + "## Load the BioLink model\n", + "\n", + "Load the [BioLink model ontology as Turtle](https://github.com/biolink/biolink-model/blob/master/biolink-model.ttl) in the graph `https://w3id.org/biolink/biolink-model` in the triplestore\n" + ] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 3", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.8.2" + } + }, + "nbformat": 4, + "nbformat_minor": 4 +} \ No newline at end of file diff --git a/archived-datasets/worldbank/config.yml b/archived-datasets/worldbank/config.yml new file mode 100644 index 0000000..62d01ae --- /dev/null +++ b/archived-datasets/worldbank/config.yml @@ -0,0 +1,56 @@ + +dataset_to_process: "worldbank" + +## For XML workflows +# dir_to_process: +# class: Directory +# path: ../../workspace/input/worldbank + +sparql_final_graph_uri: "https://w3id.org/d2s/graph/worldbank" + +# Final RDF4J server SPARQL endpoint to load the generated RDF +sparql_final_triplestore_url: "http://graphdb:7200/repositories/geoeconomics/statements" +#sparql_final_triplestore_url: "https://graphdb.dumontierlab.com/repositories/geoeconomics/statements" + +sparql_final_triplestore_username: "dba" +sparql_final_triplestore_password: "dba" + + + +### Additional parameters for CWL workflows: + +# R2RML params +input_data_jdbc: "jdbc:drill:drillbit=drill:31010" + +# tmp RDF4J server SPARQL endpoint to load generic RDF +sparql_tmp_service_url: "http://virtuoso:8890/sparql" +# sparql_tmp_service_url: "http://blazegraph:8082/bigdata/sparql" +sparql_tmp_triplestore_url: "http://virtuoso:8890/sparql" +# sparql_tmp_triplestore_url: "http://blazegraph:8082/bigdata/sparql" +sparql_tmp_triplestore_username: "dba" +sparql_tmp_triplestore_password: "dba" + +sparql_tmp_graph_uri: "https://w3id.org/d2s/graph/autor2rml" +# sparql_tmp_graph_uri: "https://w3id.org/d2s/graph/xml2rdf" +tmp_triplestore_container_id: "d2s-virtuoso" +tmp_triplestore_load_dir: "/usr/local/virtuoso-opensource/var/lib/virtuoso/db" + + +# Split params +# split_property: "https://w3id.org/biolink/vocab/has_participant" +# split_class: "https://w3id.org/biolink/vocab/GeneGrouping" +# split_delimiter: "," +# split_quote: '"' + +sparql_transform_queries_path: "mapping" +sparql_insert_metadata_path: "metadata" + +cwl_workflow_filename: "virtuoso.cwl" + +config_dir: + class: Directory + path: . + +cwl_dir: + class: Directory + path: ../../d2s-core/cwl \ No newline at end of file diff --git a/archived-datasets/worldbank/download/download.sh b/archived-datasets/worldbank/download/download.sh new file mode 100755 index 0000000..833eb48 --- /dev/null +++ b/archived-datasets/worldbank/download/download.sh @@ -0,0 +1,5 @@ +#!/bin/bash + +## Download TSV file from GitHub +wget -N https://raw.githubusercontent.com/MaastrichtU-IDS/UM_KEN4256_KnowledgeGraphs/master/dataset-worldbank-gdp-full.xml +wget -N https://raw.githubusercontent.com/MaastrichtU-IDS/UM_KEN4256_KnowledgeGraphs/master/dataset-worldbank-gdp.xml diff --git a/archived-datasets/worldbank/mapping/gdp_mapping.rml.ttl b/archived-datasets/worldbank/mapping/gdp_mapping.rml.ttl new file mode 100644 index 0000000..47ad1f5 --- /dev/null +++ b/archived-datasets/worldbank/mapping/gdp_mapping.rml.ttl @@ -0,0 +1,79 @@ +@prefix rr: . +@prefix dc: . +@prefix foaf: . +@prefix rdfs: . +@prefix owl: . +@prefix xsd: . +@prefix rml: . +@prefix ql: . +@prefix dbo: . +@prefix dbr: . +@prefix dbp: . +@prefix gn: . +@prefix wb: . +@base . + +# Generates GDP entries yearly for each country +<#WorldBankMapGdpEntries> + a rr:TriplesMap; + rml:logicalSource [ + # Switch between sample and full XML file + # rml:source "/mnt/workspace/input/worldbank/dataset-worldbank-gdp.xml"; + rml:source "/mnt/workspace/input/worldbank/dataset-worldbank-gdp-full.xml"; + rml:referenceFormulation ql:XPath ; + rml:iterator "/Root/data/record" + ]; + + # Generate a URI for each GDP yearly entry for each country + rr:subjectMap [ rr:template "http://worldbank.org/country/{country/@key}/gdp/{year}" ; + rr:class dbr:Gross_domestic_product ]; + + # Link to the country URI + rr:predicateObjectMap [ + rr:predicate dbo:country ; + rr:objectMap [ rr:template "http://worldbank.org/country/{country/@key}" ] + ] ; + + # Source dataset, here NY.GDP.MKTP.CD + rr:predicateObjectMap [ + rr:predicate dc:source ; + rr:objectMap [ rml:reference "field/@key" ] + ] ; + + # Make it a date type (gregorian year) + rr:predicateObjectMap [ + rr:predicate dbp:gdpNominalYear ; + rr:objectMap [ rml:reference "year"; rr:datatype xsd:gYear ] + ] ; + + rr:predicateObjectMap [ + rr:predicate dbp:gdpNominal ; + rr:objectMap [ rml:reference "value"; rr:datatype xsd:double ] + ] . + +# Generates entries for each country in WorldBank and link them to the GdpEntries +<#WorldBankMapGdpCountries> + a rr:TriplesMap; + rml:logicalSource [ + # Switch between sample and full XML file + # rml:source "/mnt/workspace/input/worldbank/dataset-worldbank-gdp.xml"; + rml:source "/mnt/workspace/input/worldbank/dataset-worldbank-gdp-full.xml"; + rml:referenceFormulation ql:XPath ; + rml:iterator "/Root/data/record" + ]; + + # Generate a URI for each GDP yearly entry for each country + # Using class specific for WorldBank countries + rr:subjectMap [ rr:template "http://worldbank.org/country/{country/@key}" ; + rr:class wb:Country ]; + + # Define country label + rr:predicateObjectMap [ + rr:predicate rdfs:label ; + rr:objectMap [ rml:reference "country" ] # Then use LIMES to join on this property + ] ; + # Define country label + rr:predicateObjectMap [ + rr:predicate dc:identifier ; + rr:objectMap [ rml:reference "country/@key" ] + ] . diff --git a/archived-datasets/worldbank/metadata/metadata-template-0-summary.rq b/archived-datasets/worldbank/metadata/metadata-template-0-summary.rq new file mode 100644 index 0000000..17f7586 --- /dev/null +++ b/archived-datasets/worldbank/metadata/metadata-template-0-summary.rq @@ -0,0 +1,76 @@ +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: + +INSERT { + GRAPH { + + # Agent publishing the dataset + ?publisherUri a dct:Agent ; + foaf:name ?publisherName ; + foaf:page . + + # Summary + + rdf:type dctypes:Dataset; + dct:title "WorldBank" ; + idot:preferredPrefix "worldbank" ; + dct:description "WorldBank data: countries GDP for each year since 1960"@en; + dct:publisher ?publisherUri ; + + dct:license ; + # Human readable licenses terms + # dct:rights """Rights."""@en ; + + # The homepage of the dataset + foaf:page ; + # schemaorg:logo ; + + dcat:accessURL ; + # Specify the directory containing the file(s) of interest (not the direct file URL) + + # dct:references ; + dcat:keyword "gdp" , "worldbank", "economy", "country" ; + dcat:theme ncit:C25464 , ncit:C78415 ; + # Country, Money (Currency) + + # dct:accrualPeriodicity freq:annual ; + # frequency of update: annual baseline is released in December of each year + + void:sparqlEndpoint "https://graphdb.dumontierlab.com/repositories/geoeconomics" . + + ## MAY + # dct:references ; # Supporting material as web pages and documents (use cito for publications) + # cito:citesAsAuthority ; # publications about the dataset + # rdfs:seeAlso ; + + # dct:hasPart ; # if the dataset has multiple different parts (e.g. one for Drugs, one for Phenotypes) + # dct:alternative "Alternative label for dataset" ; + # idot:alternatePrefix "alternative_prefix"; + + + ## Needs to be updated at new submission + #pav:hasCurrentVersion ; + } +} WHERE { + BIND(NOW() AS ?now) + BIND ( "Institute of Data Science at Maastricht University" as ?publisherName) + BIND ( iri(concat("https://w3id.org/d2s/agent/", md5(?publisherName))) AS ?publisherUri ) +} diff --git a/archived-datasets/worldbank/metadata/metadata-template-1.rq b/archived-datasets/worldbank/metadata/metadata-template-1.rq new file mode 100644 index 0000000..7a77333 --- /dev/null +++ b/archived-datasets/worldbank/metadata/metadata-template-1.rq @@ -0,0 +1,160 @@ +PREFIX ncit: +PREFIX skos: +PREFIX cito: +PREFIX dcat: +PREFIX dctypes: +PREFIX dct: +PREFIX foaf: +PREFIX freq: +PREFIX idot: +PREFIX lexvo: +PREFIX pav: +PREFIX prov: +PREFIX rdf: +PREFIX rdfs: +PREFIX schemaorg: +PREFIX sd: +PREFIX sio: +PREFIX xsd: +PREFIX void: +PREFIX void-ext: + +INSERT { + GRAPH { + + # Agent publishing the RDF distribution + ?rdfPublisherUri a dct:Agent ; + foaf:name ?umidsName ; + foaf:page . + + # Version + ?versionUri + a dctypes:Dataset ; + dct:isVersionOf ?summaryUri ; + pav:version ?pavVersion ; + + dcat:distribution ; + dcat:accessURL ; + + ## MAY + # dct:references ; # Supporting material as web pages and documents (use cito for publications) + # cito:citesAsAuthority ; # publications about the dataset + # rdfs:seeAlso ; + + dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:license ?sourceLicense ; + dct:publisher ?sourcePublisher ; + idot:preferredPrefix ?idotPreferredPrefix ; + dct:language ?dctLanguage ; + + # TODO: should we put the date of the source release? + dct:issued ?now . + + # TODO: should we have a different license than the summary? + # dct:license ; + + # Same for creator and publisher, should it be HPO for the version? + # dct:creator ; + # dct:publisher ; + + ### RDF Distribution description + + a dcat:Distribution, void:Dataset ; + # TODO: should we use the same pav:version as the source for RDF distribution? + pav:version ?pavVersion ; + # TODO: and should we use the version in RDF distribution URI? After / or # ? + # # more convenient to do strafter() and extract version number + + # TODO: What should be data2services BioLink RDF license? + dct:license ; + void:exampleResource ; + # TODO: should we point createdWith to the SPARQL mappings? Or d2s-cli URL? + pav:createdWith ; + + # Which publisher for RDF BioLink Dataset? IDS by default + dct:publisher ?rdfPublisherUri ; + dct:creator ?rdfPublisherUri ; + + dct:source ?distributionSourceUri ; + dct:language ?dctLanguage ; + void:vocabulary ; + + dcat:accessURL ; + dcat:downloadURL ; + void:dataDump ; + dcat:mediaType "application/n-quads" ; + + dct:title ?rdfDctTitle ; + dct:description ?rdfDctDistribution ; + dct:conformsTo ?hclsDataset ; + idot:preferredPrefix ?idotPreferredPrefix ; + dct:created ?now . + + # MAY + # pav:previousVersion ; + # idot:accessIdentifierPattern "^http://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL\\d+" ; + # idot:identifierPattern "CHEMBL\\d+"^^xsd:string ; + # void:uriRegexPattern "http://rdf.ebi.ac.uk/resource/chembl/target/CHEMBL\\d+" ; + # idot:accessPattern "http://identifiers.org/chembl.compound/"; + # idot:exampleIdentifier "CHEMBL_TC_4803"^^xsd:string ; + + ### Source distribution (non-RDF) description + ?distributionSourceUri + a dcat:Distribution ; + dct:format "application/xml" ; + dcat:downloadURL + ; + idot:exampleIdentifier "FRA"^^xsd:string ; + + # TODO: should we put issues? + + # TODO: Same publisher as source? + dct:publisher ?sourcePublisher ; + dct:creator ?sourcePublisher ; + pav:version ?pavVersion ; + + dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:rights ?dctRights ; + dct:license ?sourceLicense ; + idot:preferredPrefix ?idotPreferredPrefix ; + pav:retrievedOn ?now ; + dct:language ?dctLanguage ; + dct:conformsTo ?hclsDataset . + + # MAY + # pav:previousVersion ; + # idot:accessPattern "http://worldbank.org/country/FRA/gdp/1998" ; + } +} WHERE { + # Version of the source dataset + BIND("1"^^xsd:string AS ?pavVersion) + + BIND( AS ?summaryUri) + BIND( AS ?dctLanguage) + + # Version of our RDF distribution version + BIND("1"^^xsd:string AS ?rdfPavVersion) + BIND(concat("N-Quads distribution of WorldBank build #", ?rdfPavVersion) AS ?rdfDctTitle) + BIND(concat("N-Quads distribution of WorldBank build #", ?rdfPavVersion, " produced by Data2Services on NOW()") AS ?rdfDctDescription) + + BIND(NOW() AS ?now) + # Get generic informations from summary + OPTIONAL { + ?summaryUri dct:title ?dctTitle ; + dct:description ?dctDescription ; + dct:license ?sourceLicense ; + dct:publisher ?sourcePublisher ; + idot:preferredPrefix ?idotPreferredPrefix ; + idot:alternatePrefix ?idotAlternatePrefix . + } + + # Generates URIs from pav:version + BIND(iri(concat(str(?summaryUri), "/version#", str(?pavVersion))) AS ?versionUri) + BIND(iri(concat(str(?summaryUri), "/distribution/source#", str(?pavVersion))) AS ?distributionSourceUri) + BIND( AS ?hclsDataset) + + BIND ( "Institute of Data Science at Maastricht University" as ?umidsName) + BIND ( iri(concat("https://w3id.org/d2s/agent/", md5(?umidsName))) AS ?rdfPublisherUri ) +} diff --git a/support/template/dataset/download/preprocessing.py b/support/template/dataset/download/preprocessing.py new file mode 100755 index 0000000..e76d90b --- /dev/null +++ b/support/template/dataset/download/preprocessing.py @@ -0,0 +1,30 @@ +import csv + +# This is an example to edit a CSV file to use the right types before RML conversion +# Change it as you please + +preprocess_files = [{'name': 'domain_pair_concept_counts', 'col': [1,2]}, + { 'name': 'domain_concept_counts', 'col': [1] }, + { 'name': 'concepts', 'col': [2] } ] + +for file in preprocess_files: + # Set the right BioLink types in col2 domain_id + with open('download/' + file['name'] + '.csv', 'r') as input_file, open('download/' + file['name'] + '_curated.csv','w',newline='') as output_file: + reader = csv.reader(input_file, delimiter=',') + writer = csv.writer(output_file, delimiter=',') + + for row in reader: + for col in file['col']: + row[col] = row[col].replace('Condition','Disease') + # bl:DiseaseOrPhenotypicFeature ? + row[col] = row[col].replace('Observation','ActivityAndBehavior') # Not sure + row[col] = row[col].replace('Measurement','QuantityValue') # Not sure (has_numeric_value, has_unit) + row[col] = row[col].replace('Procedure','Procedure') + row[col] = row[col].replace('Device','Device') + row[col] = row[col].replace('Gender','PopulationOfIndividualOrganisms') # bl:BiologicalSex is an Attribute + row[col] = row[col].replace('Race','PopulationOfIndividualOrganisms') + row[col] = row[col].replace('Ethnicity','PopulationOfIndividualOrganisms') + # TODO: add bl:in_taxon human? + row[col] = row[col].replace('Relationship','Phenomenon') + + writer.writerow(row) \ No newline at end of file