Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank MMDB PDB Article PubMed | 0.000340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita` degli Studi di Sassari Curated by ChEMBL | Assay Description Inhibition of human DHFR by spectrophotometric analysis | J Med Chem 55: 8318-29 (2012) Article DOI: 10.1021/jm300563f BindingDB Entry DOI: 10.7270/Q2R49RXF | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM224024 (BDBM50241435 | Dynorphin A (1-13) | YGGFLRRXRPKLK) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PubMed | 0.000800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Binding affinity towards Wild-type kappa opioid receptor expressed in HEK cells | J Med Chem 43: 1251-2 (2001) BindingDB Entry DOI: 10.7270/Q270824F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50493145 (CHEMBL2419149) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.00420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1016/j.ejmech.2021.113907 BindingDB Entry DOI: 10.7270/Q20K2DJC | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human)) | BDBM50184069 (CHEMBL207197 | N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.00500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Medicinal Chemistry Merck & Co. Curated by ChEMBL | Assay Description Displacement of [125I]CGRP from human cloned CLR/RAMP1 receptor expressed in E10 cells | Bioorg Med Chem Lett 16: 2595-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.051 BindingDB Entry DOI: 10.7270/Q2HT2NX8 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50033535 (CHEMBL331883 | N-[(3R,4S)-1-((R)-2-Hydroxy-2-pheny...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Binding affinity against Opioid receptor mu 1 | J Med Chem 43: 381-91 (2000) BindingDB Entry DOI: 10.7270/Q2DN45RB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM520 (1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article | 0.0150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition constant of ritonavir towards HIV protease was determined | Bioorg Med Chem Lett 7: 699-704 (1997) Article DOI: 10.1016/S0960-894X(97)00080-2 BindingDB Entry DOI: 10.7270/Q23N23C1 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50021347 (CHEMBL12391 | N-(3-Methyl-1-phenethyl-piperidin-4-...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Binding affinity against Opioid receptor mu 1 | J Med Chem 43: 381-91 (2000) BindingDB Entry DOI: 10.7270/Q2DN45RB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50012477 (1-Phenethyl-4-(phenyl-propionyl-amino)-piperidine-...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars | PubMed | 0.0240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Binding affinity against Opioid receptor mu 1 | J Med Chem 43: 381-91 (2000) BindingDB Entry DOI: 10.7270/Q2DN45RB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM472 (5-tert-butyl-4-{[(6S)-4-hydroxy-6-[2-(4-hydroxyphe...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research | Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o... | J Med Chem 43: 843-58 (2000) Article DOI: 10.1021/jm990281p BindingDB Entry DOI: 10.7270/Q21N7Z9R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM430 (3-[(2-tert-butyl-4-hydroxy-5-methylphenyl)sulfanyl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research | Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o... | J Med Chem 43: 843-58 (2000) Article DOI: 10.1021/jm990281p BindingDB Entry DOI: 10.7270/Q21N7Z9R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50409174 (CHEMBL169119) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research | Assay Description Tested for binding affinity against HIV protease | J Med Chem 43: 843-58 (2000) Article DOI: 10.1021/jm990281p BindingDB Entry DOI: 10.7270/Q21N7Z9R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM472 (5-tert-butyl-4-{[(6S)-4-hydroxy-6-[2-(4-hydroxyphe...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research | Assay Description Tested for binding affinity against HIV protease | J Med Chem 43: 843-58 (2000) Article DOI: 10.1021/jm990281p BindingDB Entry DOI: 10.7270/Q21N7Z9R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM430 (3-[(2-tert-butyl-4-hydroxy-5-methylphenyl)sulfanyl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.0300 | -62.5 | n/a | n/a | n/a | n/a | n/a | 6.2 | 37 |
Parke-Davis Pharmaceutical Research | Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)... | Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50071565 (2-(2,2-Diphenyl-ethyl)-7-methyl-1,3-dioxo-2,3,5,8-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Molecumetics Ltd. Curated by ChEMBL | Assay Description Compound was evaluated for its binding affinity to the thrombin | Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human)) | BDBM50342639 (CHEMBL1770729 | N-((6S,9R)-6-(2,3-difluorophenyl)-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [125I]-CGRP from human recombinant CGRP receptor | Bioorg Med Chem Lett 21: 2683-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.054 BindingDB Entry DOI: 10.7270/Q2VM4CK8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human)) | BDBM50342638 (CHEMBL1770728 | N-((6S,9R)-6-(2,3-difluorophenyl)-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [125I]-CGRP from human recombinant CGRP receptor | Bioorg Med Chem Lett 21: 2683-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.054 BindingDB Entry DOI: 10.7270/Q2VM4CK8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human)) | BDBM50342625 (CHEMBL1770715 | N-((6S,9R)-6-(2,3-difluorophenyl)-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [125I]-CGRP from human recombinant CGRP receptor | Bioorg Med Chem Lett 21: 2683-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.054 BindingDB Entry DOI: 10.7270/Q2VM4CK8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50007344 ((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation Curated by ChEMBL | Assay Description In vitro binding affinity for human kappa opioid receptor was determined by using [3H]-diprenorphine as radioligand | Bioorg Med Chem Lett 15: 1279-82 (2005) Article DOI: 10.1016/j.bmcl.2005.01.038 BindingDB Entry DOI: 10.7270/Q2QF8SDJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50007344 ((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation Curated by ChEMBL | Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO-K1 cells | Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human)) | BDBM50342634 (CHEMBL1770724 | N-((6S,9R)-6-(2,3-difluorophenyl)-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [125I]-CGRP from human recombinant CGRP receptor | Bioorg Med Chem Lett 21: 2683-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.054 BindingDB Entry DOI: 10.7270/Q2VM4CK8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human)) | BDBM50342636 (CHEMBL1770726 | N-((6S,9R)-6-(2,3-difluorophenyl)-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [125I]-CGRP from human recombinant CGRP receptor | Bioorg Med Chem Lett 21: 2683-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.054 BindingDB Entry DOI: 10.7270/Q2VM4CK8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H3 receptor (Rattus norvegicus (rat)) | BDBM50374100 (CHEMBL270011) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Curated by ChEMBL | Assay Description Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex | Bioorg Med Chem Lett 18: 1490-4 (2008) Article DOI: 10.1016/j.bmcl.2007.12.059 BindingDB Entry DOI: 10.7270/Q2Q81DZS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H3 receptor (Rattus norvegicus (rat)) | BDBM50374104 (CHEMBL255962) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Curated by ChEMBL | Assay Description Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex | Bioorg Med Chem Lett 18: 1490-4 (2008) Article DOI: 10.1016/j.bmcl.2007.12.059 BindingDB Entry DOI: 10.7270/Q2Q81DZS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50594655 (CHEMBL5177144) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.0510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1016/j.ejmech.2021.113907 BindingDB Entry DOI: 10.7270/Q20K2DJC | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50093965 (CHEMBL86324 | N-Methyl-N-((S)-1-phenyl-2-pyrrolidi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation Curated by ChEMBL | Assay Description Displacement of bound [3H]-diprenorphine from membranes expressing cloned human kappa opioid receptor | Bioorg Med Chem Lett 15: 1091-5 (2005) Article DOI: 10.1016/j.bmcl.2004.12.018 BindingDB Entry DOI: 10.7270/Q2JW8DCG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50033533 (CHEMBL121403 | N-[(3R,4R)-1-((S)-2-Hydroxy-2-pheny...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Binding affinity against Opioid receptor mu 1 | J Med Chem 43: 381-91 (2000) BindingDB Entry DOI: 10.7270/Q2DN45RB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aminopeptidase N (Sus scrofa (Pig)) | BDBM50353018 (CHEMBL1821980 | CHEMBL1852660) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Haute-Alsace Curated by ChEMBL | Assay Description Inhibition of pig APN using L-leucine-p-nitroanilide as substrate measured every 10 mins for 2 hrs by spectriphotometric analysis | Bioorg Med Chem 21: 2135-44 (2013) Article DOI: 10.1016/j.bmc.2012.12.038 BindingDB Entry DOI: 10.7270/Q2CZ38J9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM465 ((6S)-3-[(4-amino-2-tert-butyl-5-methylphenyl)sulfa...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description Binding affinity of the compound towards HIV protease was determined | Bioorg Med Chem Lett 9: 1481-6 (1999) BindingDB Entry DOI: 10.7270/Q2668CC2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM465 ((6S)-3-[(4-amino-2-tert-butyl-5-methylphenyl)sulfa...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research | Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o... | J Med Chem 43: 843-58 (2000) Article DOI: 10.1021/jm990281p BindingDB Entry DOI: 10.7270/Q21N7Z9R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Rattus norvegicus (rat)) | BDBM82551 (C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MCE KEGG PC cid PC sid UniChem Similars | PubMed | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Displacement of [3H]diprenorphine from opioid receptor kappa 1 expressed in HEK 293 cells | J Med Chem 44: 857-62 (2001) BindingDB Entry DOI: 10.7270/Q27H1K9D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human)) | BDBM50342630 (CHEMBL1770720 | N-((6S,9R)-6-(2,3-difluorophenyl)-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [125I]-CGRP from human recombinant CGRP receptor | Bioorg Med Chem Lett 21: 2683-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.054 BindingDB Entry DOI: 10.7270/Q2VM4CK8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H3 receptor (Rattus norvegicus (rat)) | BDBM50232355 ((3aR,6aR)-2-(cyclopropylmethyl)-6-(4-(2-(pyrrolidi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Curated by ChEMBL | Assay Description Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex | Bioorg Med Chem Lett 18: 1490-4 (2008) Article DOI: 10.1016/j.bmcl.2007.12.059 BindingDB Entry DOI: 10.7270/Q2Q81DZS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM465 ((6S)-3-[(4-amino-2-tert-butyl-5-methylphenyl)sulfa...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | 6.2 | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description Binding affinity of the compound towards HIV protease was determined | Bioorg Med Chem Lett 9: 1481-6 (1999) BindingDB Entry DOI: 10.7270/Q2668CC2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50594654 (CHEMBL5171044) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.0760 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1016/j.ejmech.2021.113907 BindingDB Entry DOI: 10.7270/Q20K2DJC | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone-lysine N-methyltransferase, H3 lysine-79 specific (Homo sapiens (Human)) | BDBM50536826 (CHEMBL4590355) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research Curated by ChEMBL | Assay Description Inhibition of DOT1L (2 to 416 residues) (unknown origin) using biotinylated nucleosomes as substrate preincubated for 30 mins followed by substrate a... | ACS Med Chem Lett 7: 735-40 (2016) Article DOI: 10.1021/acsmedchemlett.6b00167 BindingDB Entry DOI: 10.7270/Q2V69P3G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H3 receptor (Rattus norvegicus (rat)) | BDBM50374110 (CHEMBL401954) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Curated by ChEMBL | Assay Description Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex | Bioorg Med Chem Lett 18: 1490-4 (2008) Article DOI: 10.1016/j.bmcl.2007.12.059 BindingDB Entry DOI: 10.7270/Q2Q81DZS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50084768 (N-(4-Methoxymethyl-1-phenethyl-piperidin-4-yl)-N-p...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 0.0890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Binding affinity against Opioid receptor mu 1 | J Med Chem 43: 381-91 (2000) BindingDB Entry DOI: 10.7270/Q2DN45RB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM2208 ((6S)-3-{[2-tert-butyl-4-(hydroxymethyl)-5-methylph...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research | Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)... | Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50078088 ((S)-3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-pheny...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | 4.7 | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description Inhibitory activity of the compound was evaluated against human immunodeficiency virus type 1(HIV-1) protease at pH 4.7 | Bioorg Med Chem Lett 9: 2019-24 (1999) BindingDB Entry DOI: 10.7270/Q2PZ5814 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monocarboxylate transporter 1 (Homo sapiens (Human)) | BDBM21995 (5-{[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]carbonyl}-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0900 | -56.8 | n/a | n/a | n/a | n/a | n/a | 7.8 | 22 |
AstraZeneca | Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ... | J Med Chem 50: 254-63 (2007) Article DOI: 10.1021/jm060995h BindingDB Entry DOI: 10.7270/Q2GT5KGF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM2204 ((3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsu...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research | Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)... | Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50078088 ((S)-3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-pheny...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | 6.2 | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description In vitro binding affinity of the compound against HIV protease at pH 6.2 was determined | Bioorg Med Chem Lett 9: 1481-6 (1999) BindingDB Entry DOI: 10.7270/Q2668CC2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50073436 ((2-(2-((dimethylamino)methyl)phenylthio)-5-iodophe...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Displacement of [125I]IPT from SERT in rat brain cortex membrane | Bioorg Med Chem 16: 9050-5 (2008) Article DOI: 10.1016/j.bmc.2008.08.002 BindingDB Entry DOI: 10.7270/Q21G0M3J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monocarboxylate transporter 1 (Homo sapiens (Human)) | BDBM22000 (7-[(3-hydroxypropyl)sulfanyl]-2-methyl-4-(2-methyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 0.100 | -56.5 | n/a | n/a | n/a | n/a | n/a | 7.8 | 22 |
AstraZeneca | Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ... | Bioorg Med Chem Lett 16: 2260-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.024 BindingDB Entry DOI: 10.7270/Q2C24TQK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monocarboxylate transporter 1 (Homo sapiens (Human)) | BDBM22000 (7-[(3-hydroxypropyl)sulfanyl]-2-methyl-4-(2-methyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 0.100 | -56.5 | n/a | n/a | n/a | n/a | n/a | 7.8 | 22 |
AstraZeneca | Assay Description Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ... | Bioorg Med Chem Lett 16: 2260-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.024 BindingDB Entry DOI: 10.7270/Q2C24TQK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H3 receptor (Rattus norvegicus (rat)) | BDBM50232355 ((3aR,6aR)-2-(cyclopropylmethyl)-6-(4-(2-(pyrrolidi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Curated by ChEMBL | Assay Description Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex | Bioorg Med Chem Lett 18: 1490-4 (2008) Article DOI: 10.1016/j.bmcl.2007.12.059 BindingDB Entry DOI: 10.7270/Q2Q81DZS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50216785 (CHEMBL61756) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | 4.7 | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description Inhibitory activity of the compound was evaluated against human immunodeficiency virus type 1(HIV-1) protease at pH 6.2 | Bioorg Med Chem Lett 9: 2019-24 (1999) BindingDB Entry DOI: 10.7270/Q2PZ5814 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM2206 ((6S)-6-[2-(4-aminophenyl)ethyl]-3-{[2-tert-butyl-4...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research | Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)... | Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50078087 ((S)-6-[2-(4-Amino-phenyl)-ethyl]-3-(2-tert-butyl-4...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | 6.2 | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description In vitro binding affinity of the compound against HIV protease at pH 6.2 was determined | Bioorg Med Chem Lett 9: 1481-6 (1999) BindingDB Entry DOI: 10.7270/Q2668CC2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat)) | BDBM50069833 (3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-propyl-p...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes. | Bioorg Med Chem Lett 8: 249-54 (1999) BindingDB Entry DOI: 10.7270/Q2P26X90 | |||||||||||
More data for this Ligand-Target Pair |
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