Compile Data Set for Download or QSAR

Found 274 hits with Last Name = 'mason' and Initial = 'g'   

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
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50157515 (4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamino)-pyridi...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc(cc1)[C@@H](C)Nc1nccc(Cl)c1NC(=O)CC#N |r| Show InChI InChI=1S/C24H20ClFN4O3/c1-14(29-23-22(18(25)11-13-28-23)30-20(31)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)24(32)33-2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	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 [3H]des-arg10, leu9-kallidin from human bradykinin B1 receptor expresed in CHO cells				J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50157511 (CHEMBL387638 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...) Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nnn(C)n1 |r| Show InChI InChI=1S/C24H20ClFN8O/c1-14(29-24-22(18(25)11-13-28-24)30-20(35)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)23-31-33-34(2)32-23/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,35)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	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 [3H]des-arg10, leu9-kallidin from human bradykinin B1 receptor expresed in CHO cells				J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50157509 (CHEMBL222038 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...) Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nc(C)no1 |r| Show InChI InChI=1S/C25H20ClFN6O2/c1-14(30-24-23(19(26)11-13-29-24)32-21(34)10-12-28)16-6-8-17(9-7-16)18-4-3-5-20(27)22(18)25-31-15(2)33-35-25/h3-9,11,13-14H,10H2,1-2H3,(H,29,30)(H,32,34)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	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 [3H]des-arg10, leu9-kallidin from human bradykinin B1 receptor expresed in CHO cells				J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Oryctolagus cuniculus)	BDBM50157515 (4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamino)-pyridi...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc(cc1)[C@@H](C)Nc1nccc(Cl)c1NC(=O)CC#N |r| Show InChI InChI=1S/C24H20ClFN4O3/c1-14(29-23-22(18(25)11-13-28-23)30-20(31)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)24(32)33-2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to rabbit bradykinin B1 receptor				J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50157510 (CHEMBL225218 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...) Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1noc(C)n1 |r| Show InChI InChI=1S/C25H20ClFN6O2/c1-14(30-25-23(19(26)11-13-29-25)32-21(34)10-12-28)16-6-8-17(9-7-16)18-4-3-5-20(27)22(18)24-31-15(2)35-33-24/h3-9,11,13-14H,10H2,1-2H3,(H,29,30)(H,32,34)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	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 [3H]des-arg10, leu9-kallidin from human bradykinin B1 receptor expresed in CHO cells				J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50157513 (3-chloro-4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamin...) Show SMILES COC(=O)c1c(Cl)cccc1-c1ccc(cc1)[C@@H](C)Nc1nccc(Cl)c1NC(=O)CC#N |r| Show InChI InChI=1S/C24H20Cl2N4O3/c1-14(29-23-22(19(26)11-13-28-23)30-20(31)10-12-27)15-6-8-16(9-7-15)17-4-3-5-18(25)21(17)24(32)33-2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	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 [3H]des-arg10, leu9-kallidin from human bradykinin B1 receptor expresed in CHO cells				J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50157518 (5-chloro-4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamin...) Show SMILES COC(=O)c1ccc(Cl)cc1-c1ccc(cc1)[C@@H](C)Nc1nccc(Cl)c1NC(=O)CC#N |r| Show InChI InChI=1S/C24H20Cl2N4O3/c1-14(29-23-22(20(26)10-12-28-23)30-21(31)9-11-27)15-3-5-16(6-4-15)19-13-17(25)7-8-18(19)24(32)33-2/h3-8,10,12-14H,9H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	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 [3H]des-arg10, leu9-kallidin from human bradykinin B1 receptor expresed in CHO cells				J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50157517 (CHEMBL225006 | N-{4-chloro-2-[(R)-1-(3'-fluoro-2'-...) Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1C(F)(F)F |r| Show InChI InChI=1S/C23H17ClF4N4O/c1-13(31-22-21(17(24)10-12-30-22)32-19(33)9-11-29)14-5-7-15(8-6-14)16-3-2-4-18(25)20(16)23(26,27)28/h2-8,10,12-13H,9H2,1H3,(H,30,31)(H,32,33)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	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 [3H]des-arg10, leu9-kallidin from human bradykinin B1 receptor expresed in CHO cells				J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Oryctolagus cuniculus)	BDBM50157513 (3-chloro-4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamin...) Show SMILES COC(=O)c1c(Cl)cccc1-c1ccc(cc1)[C@@H](C)Nc1nccc(Cl)c1NC(=O)CC#N |r| Show InChI InChI=1S/C24H20Cl2N4O3/c1-14(29-23-22(19(26)11-13-28-23)30-20(31)10-12-27)15-6-8-16(9-7-15)17-4-3-5-18(25)21(17)24(32)33-2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to rabbit bradykinin B1 receptor				J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50157516 (4'-{(R)-1-[3-(2-cyano-acetylamino)-4-methyl-pyridi...) Show SMILES COC(=O)c1ccc(C)cc1-c1ccc(cc1)[C@@H](C)Nc1nccc(C)c1NC(=O)CC#N |r| Show InChI InChI=1S/C26H26N4O3/c1-16-5-10-21(26(32)33-4)22(15-16)20-8-6-19(7-9-20)18(3)29-25-24(17(2)12-14-28-25)30-23(31)11-13-27/h5-10,12,14-15,18H,11H2,1-4H3,(H,28,29)(H,30,31)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	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 [3H]des-arg10, leu9-kallidin from human bradykinin B1 receptor expresed in CHO cells				J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50157512 (CHEMBL374779 | N-{4-chloro-2-[(R)-1-(2'-cyano-3'-f...) Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1C#N |r| Show InChI InChI=1S/C23H17ClFN5O/c1-14(29-23-22(19(24)10-12-28-23)30-21(31)9-11-26)15-5-7-16(8-6-15)17-3-2-4-20(25)18(17)13-27/h2-8,10,12,14H,9H2,1H3,(H,28,29)(H,30,31)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	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 [3H]des-arg10, leu9-kallidin from human bradykinin B1 receptor expresed in CHO cells				J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Oryctolagus cuniculus)	BDBM50157509 (CHEMBL222038 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...) Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nc(C)no1 |r| Show InChI InChI=1S/C25H20ClFN6O2/c1-14(30-24-23(19(26)11-13-29-24)32-21(34)10-12-28)16-6-8-17(9-7-16)18-4-3-5-20(27)22(18)25-31-15(2)33-35-25/h3-9,11,13-14H,10H2,1-2H3,(H,29,30)(H,32,34)/t14-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to rabbit bradykinin B1 receptor				J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Oryctolagus cuniculus)	BDBM50157511 (CHEMBL387638 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...) Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nnn(C)n1 |r| Show InChI InChI=1S/C24H20ClFN8O/c1-14(29-24-22(18(25)11-13-28-24)30-20(35)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)23-31-33-34(2)32-23/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,35)/t14-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to rabbit bradykinin B1 receptor				J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50157514 (CHEMBL221984 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...) Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nnnn1C |r,wU:1.0,(12.95,-46.3,;14.28,-45.52,;14.28,-43.98,;12.94,-43.22,;11.6,-43.99,;10.27,-43.22,;10.27,-41.67,;11.6,-40.9,;11.6,-39.36,;12.94,-41.67,;14.27,-40.89,;15.6,-41.66,;15.61,-43.2,;16.93,-40.88,;18.27,-41.65,;19.6,-42.41,;15.61,-46.29,;15.61,-47.83,;16.94,-48.6,;18.27,-47.82,;18.27,-46.28,;16.93,-45.51,;19.61,-48.59,;19.61,-50.13,;20.94,-50.9,;22.27,-50.12,;22.27,-48.57,;23.59,-47.8,;20.93,-47.81,;20.92,-46.27,;19.66,-45.38,;20.12,-43.91,;21.67,-43.9,;22.15,-45.36,;23.62,-45.82,)| Show InChI InChI=1S/C24H20ClFN8O/c1-14(29-23-22(18(25)11-13-28-23)30-20(35)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)24-31-32-33-34(24)2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,35)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	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 [3H]des-arg10, leu9-kallidin from human bradykinin B1 receptor expresed in CHO cells				J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM
					More data for this Ligand-Target Pair
B1 bradykinin receptor (RAT)	BDBM50157514 (CHEMBL221984 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...) Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nnnn1C |r,wU:1.0,(12.95,-46.3,;14.28,-45.52,;14.28,-43.98,;12.94,-43.22,;11.6,-43.99,;10.27,-43.22,;10.27,-41.67,;11.6,-40.9,;11.6,-39.36,;12.94,-41.67,;14.27,-40.89,;15.6,-41.66,;15.61,-43.2,;16.93,-40.88,;18.27,-41.65,;19.6,-42.41,;15.61,-46.29,;15.61,-47.83,;16.94,-48.6,;18.27,-47.82,;18.27,-46.28,;16.93,-45.51,;19.61,-48.59,;19.61,-50.13,;20.94,-50.9,;22.27,-50.12,;22.27,-48.57,;23.59,-47.8,;20.93,-47.81,;20.92,-46.27,;19.66,-45.38,;20.12,-43.91,;21.67,-43.9,;22.15,-45.36,;23.62,-45.82,)| Show InChI InChI=1S/C24H20ClFN8O/c1-14(29-23-22(18(25)11-13-28-23)30-20(35)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)24-31-32-33-34(24)2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,35)/t14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	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 [3H]des-arg10 kallidin from rat bradykinin B1 receptor expresed in CHO cells				J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM
					More data for this Ligand-Target Pair
B1 bradykinin receptor (RAT)	BDBM50157515 (4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamino)-pyridi...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc(cc1)[C@@H](C)Nc1nccc(Cl)c1NC(=O)CC#N |r| Show InChI InChI=1S/C24H20ClFN4O3/c1-14(29-23-22(18(25)11-13-28-23)30-20(31)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)24(32)33-2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35.3	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 [3H]des-arg10 kallidin from rat bradykinin B1 receptor expresed in CHO cells				J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM
					More data for this Ligand-Target Pair
B1 bradykinin receptor (RAT)	BDBM50157513 (3-chloro-4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamin...) Show SMILES COC(=O)c1c(Cl)cccc1-c1ccc(cc1)[C@@H](C)Nc1nccc(Cl)c1NC(=O)CC#N |r| Show InChI InChI=1S/C24H20Cl2N4O3/c1-14(29-23-22(19(26)11-13-28-23)30-20(31)10-12-27)15-6-8-16(9-7-15)17-4-3-5-18(25)21(17)24(32)33-2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35.7	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 [3H]des-arg10 kallidin from rat bradykinin B1 receptor expresed in CHO cells				J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Oryctolagus cuniculus)	BDBM50157514 (CHEMBL221984 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...) Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nnnn1C |r,wU:1.0,(12.95,-46.3,;14.28,-45.52,;14.28,-43.98,;12.94,-43.22,;11.6,-43.99,;10.27,-43.22,;10.27,-41.67,;11.6,-40.9,;11.6,-39.36,;12.94,-41.67,;14.27,-40.89,;15.6,-41.66,;15.61,-43.2,;16.93,-40.88,;18.27,-41.65,;19.6,-42.41,;15.61,-46.29,;15.61,-47.83,;16.94,-48.6,;18.27,-47.82,;18.27,-46.28,;16.93,-45.51,;19.61,-48.59,;19.61,-50.13,;20.94,-50.9,;22.27,-50.12,;22.27,-48.57,;23.59,-47.8,;20.93,-47.81,;20.92,-46.27,;19.66,-45.38,;20.12,-43.91,;21.67,-43.9,;22.15,-45.36,;23.62,-45.82,)| Show InChI InChI=1S/C24H20ClFN8O/c1-14(29-23-22(18(25)11-13-28-23)30-20(35)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)24-31-32-33-34(24)2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,35)/t14-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to rabbit bradykinin B1 receptor				J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM
					More data for this Ligand-Target Pair
B1 bradykinin receptor (RAT)	BDBM50157509 (CHEMBL222038 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...) Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nc(C)no1 |r| Show InChI InChI=1S/C25H20ClFN6O2/c1-14(30-24-23(19(26)11-13-29-24)32-21(34)10-12-28)16-6-8-17(9-7-16)18-4-3-5-20(27)22(18)25-31-15(2)33-35-25/h3-9,11,13-14H,10H2,1-2H3,(H,29,30)(H,32,34)/t14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	81	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 [3H]des-arg10 kallidin from rat bradykinin B1 receptor expresed in CHO cells				J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM
					More data for this Ligand-Target Pair
B1 bradykinin receptor (RAT)	BDBM50157511 (CHEMBL387638 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...) Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nnn(C)n1 |r| Show InChI InChI=1S/C24H20ClFN8O/c1-14(29-24-22(18(25)11-13-28-24)30-20(35)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)23-31-33-34(2)32-23/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,35)/t14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	119	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 [3H]des-arg10 kallidin from rat bradykinin B1 receptor expresed in CHO cells				J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50157519 (4'-[(3-pentanoylamino-pyridin-2-ylamino)-methyl]-b...) Show SMILES CCCCC(=O)Nc1cccnc1NCc1ccc(cc1)-c1ccccc1C(=O)OC Show InChI InChI=1S/C25H27N3O3/c1-3-4-11-23(29)28-22-10-7-16-26-24(22)27-17-18-12-14-19(15-13-18)20-8-5-6-9-21(20)25(30)31-2/h5-10,12-16H,3-4,11,17H2,1-2H3,(H,26,27)(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	200	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 [3H]des-arg10, leu9-kallidin from human bradykinin B1 receptor expresed in CHO cells				J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50432188 (CHEMBL2346976) Show SMILES CC(=O)N1CCN(CCOc2ccc(cc2)C2CCN(CC2)C2=Nn3c(CC2)nnc3C(F)(F)F)CC1 |t:24| Show InChI InChI=1S/C25H32F3N7O2/c1-18(36)33-14-12-32(13-15-33)16-17-37-21-4-2-19(3-5-21)20-8-10-34(11-9-20)23-7-6-22-29-30-24(25(26,27)28)35(22)31-23/h2-5,20H,6-17H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from full length androgen receptor in human LNCAP cells				Bioorg Med Chem Lett 23: 1945-8 (2013) Article DOI: 10.1016/j.bmcl.2013.02.056 BindingDB Entry DOI: 10.7270/Q21J9C5N
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50432188 (CHEMBL2346976) Show SMILES CC(=O)N1CCN(CCOc2ccc(cc2)C2CCN(CC2)C2=Nn3c(CC2)nnc3C(F)(F)F)CC1 |t:24| Show InChI InChI=1S/C25H32F3N7O2/c1-18(36)33-14-12-32(13-15-33)16-17-37-21-4-2-19(3-5-21)20-8-10-34(11-9-20)23-7-6-22-29-30-24(25(26,27)28)35(22)31-23/h2-5,20H,6-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to rat androgen receptor ligand binding domain by fluorescence polarization assay				Bioorg Med Chem Lett 23: 1945-8 (2013) Article DOI: 10.1016/j.bmcl.2013.02.056 BindingDB Entry DOI: 10.7270/Q21J9C5N
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50157516 (4'-{(R)-1-[3-(2-cyano-acetylamino)-4-methyl-pyridi...) Show SMILES COC(=O)c1ccc(C)cc1-c1ccc(cc1)[C@@H](C)Nc1nccc(C)c1NC(=O)CC#N |r| Show InChI InChI=1S/C26H26N4O3/c1-16-5-10-21(26(32)33-4)22(15-16)20-8-6-19(7-9-20)18(3)29-25-24(17(2)12-14-28-25)30-23(31)11-13-27/h5-10,12,14-15,18H,11H2,1-4H3,(H,28,29)(H,30,31)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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 [3H]bradykinin from human bradykinin B2 receptor expresed in CHO cells				J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50315610 ((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...) Show SMILES FC(F)(F)c1ccc(Nc2ncnc3nc(cnc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C19H10F6N6/c20-18(21,22)10-3-5-11(6-4-10)30-16-15-17(29-9-28-16)31-13(8-27-15)14-12(19(23,24)25)2-1-7-26-14/h1-9H,(H,28,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...				J Med Chem 53: 3330-48 (2010) Article DOI: 10.1021/jm100051g BindingDB Entry DOI: 10.7270/Q2474BTP
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50315616 (3-[3-(Trifluoromethyl)pyridin-2-yl]-N-[5-(trifluor...) Show SMILES FC(F)(F)c1ccc(Nc2ccnc3nc(cnc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)11-3-5-12(6-4-11)30-14-7-9-28-18-17(14)29-10-15(31-18)16-13(20(24,25)26)2-1-8-27-16/h1-10H,(H,28,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...				J Med Chem 53: 3330-48 (2010) Article DOI: 10.1021/jm100051g BindingDB Entry DOI: 10.7270/Q2474BTP
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50157515 (4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamino)-pyridi...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc(cc1)[C@@H](C)Nc1nccc(Cl)c1NC(=O)CC#N |r| Show InChI InChI=1S/C24H20ClFN4O3/c1-14(29-23-22(18(25)11-13-28-23)30-20(31)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)24(32)33-2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at bradykinin B1 receptor expresed in CHO cells assessed as inhibition of des-arg10-kallidin-induced increase in cytosolic calciu...				J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50459018 (CHEMBL4166405) Show SMILES COCc1ccc(cn1)-c1cc2c(N[C@@H](C)c3ccn(C)n3)c(cnc2cc1F)C(N)=O |r| Show InChI InChI=1S/C23H23FN6O2/c1-13(20-6-7-30(2)29-20)28-22-17-8-16(14-4-5-15(12-32-3)26-10-14)19(24)9-21(17)27-11-18(22)23(25)31/h4-11,13H,12H2,1-3H3,(H2,25,31)(H,27,28)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATM (unknown origin) using p53 as substrate incubated for 30 mins followed by substrate addition measured after 2 hrs in presence of AT...				J Med Chem 59: 6281-92 (2016) Article DOI: 10.1021/acs.jmedchem.6b00519 BindingDB Entry DOI: 10.7270/Q2NV9NR8
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50315608 ((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...) Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(cnc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)12-3-5-13(6-4-12)31-18-17-15(29-10-30-18)8-11(9-28-17)16-14(20(24,25)26)2-1-7-27-16/h1-10H,(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...				J Med Chem 53: 3330-48 (2010) Article DOI: 10.1021/jm100051g BindingDB Entry DOI: 10.7270/Q2474BTP
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50157510 (CHEMBL225218 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...) Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1noc(C)n1 |r| Show InChI InChI=1S/C25H20ClFN6O2/c1-14(30-25-23(19(26)11-13-29-25)32-21(34)10-12-28)16-6-8-17(9-7-16)18-4-3-5-20(27)22(18)24-31-15(2)35-33-24/h3-9,11,13-14H,10H2,1-2H3,(H,29,30)(H,32,34)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.780	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at bradykinin B1 receptor expresed in CHO cells assessed as inhibition of des-arg10-kallidin-induced increase in cytosolic calciu...				J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50535970 (CHEMBL4569967) Show SMILES O=c1cc(oc(c1)-c1cccc2Cc3ccccc3Sc12)N1CCOCC1 Show InChI InChI=1S/C22H19NO3S/c24-17-13-19(26-21(14-17)23-8-10-25-11-9-23)18-6-3-5-16-12-15-4-1-2-7-20(15)27-22(16)18/h1-7,13-14H,8-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATM (unknown origin) using p53 as substrate incubated for 30 mins followed by substrate addition measured after 2 hrs in presence of AT...				J Med Chem 59: 6281-92 (2016) Article DOI: 10.1021/acs.jmedchem.6b00519 BindingDB Entry DOI: 10.7270/Q2NV9NR8
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50315609 ((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...) Show SMILES FC(F)(F)c1ccc(Nc2ncnc3nc(ccc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)11-3-5-12(6-4-11)30-17-13-7-8-15(31-18(13)29-10-28-17)16-14(20(24,25)26)2-1-9-27-16/h1-10H,(H,28,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...				J Med Chem 53: 3330-48 (2010) Article DOI: 10.1021/jm100051g BindingDB Entry DOI: 10.7270/Q2474BTP
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50157513 (3-chloro-4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamin...) Show SMILES COC(=O)c1c(Cl)cccc1-c1ccc(cc1)[C@@H](C)Nc1nccc(Cl)c1NC(=O)CC#N |r| Show InChI InChI=1S/C24H20Cl2N4O3/c1-14(29-23-22(19(26)11-13-28-23)30-20(31)10-12-27)15-6-8-16(9-7-15)17-4-3-5-18(25)21(17)24(32)33-2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at bradykinin B1 receptor expresed in CHO cells assessed as inhibition of des-arg10-kallidin-induced increase in cytosolic calciu...				J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50273167 ((5-Trifluoromethylpyridin-2-yl)-[7-(3-trifluoromet...) Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(ccc23)-c2ncccc2C(F)(F)F)nc1 Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)12-4-6-16(28-9-12)31-18-13-5-3-11(8-15(13)29-10-30-18)17-14(20(24,25)26)2-1-7-27-17/h1-10H,(H,28,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...				J Med Chem 53: 3330-48 (2010) Article DOI: 10.1021/jm100051g BindingDB Entry DOI: 10.7270/Q2474BTP
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM20557 (AMG 517 | CHEMBL229430 | JMC503515 Compound 23 | N...) Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1 Show InChI InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Inhibition of human TRPV1				J Med Chem 53: 3330-48 (2010) Article DOI: 10.1021/jm100051g BindingDB Entry DOI: 10.7270/Q2474BTP
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50157509 (CHEMBL222038 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...) Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nc(C)no1 |r| Show InChI InChI=1S/C25H20ClFN6O2/c1-14(30-24-23(19(26)11-13-29-24)32-21(34)10-12-28)16-6-8-17(9-7-16)18-4-3-5-20(27)22(18)25-31-15(2)33-35-25/h3-9,11,13-14H,10H2,1-2H3,(H,29,30)(H,32,34)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.940	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at bradykinin B1 receptor expresed in CHO cells assessed as inhibition of des-arg10-kallidin-induced increase in cytosolic calciu...				J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50191726 ((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...) Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(ccc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C21H12F6N4/c22-20(23,24)13-4-6-14(7-5-13)31-19-15-8-3-12(10-17(15)29-11-30-19)18-16(21(25,26)27)2-1-9-28-18/h1-11H,(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Inhibition of human TRPV1				J Med Chem 53: 3330-48 (2010) Article DOI: 10.1021/jm100051g BindingDB Entry DOI: 10.7270/Q2474BTP
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50191726 ((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...) Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(ccc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C21H12F6N4/c22-20(23,24)13-4-6-14(7-5-13)31-19-15-8-3-12(10-17(15)29-11-30-19)18-16(21(25,26)27)2-1-9-28-18/h1-11H,(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...				J Med Chem 53: 3330-48 (2010) Article DOI: 10.1021/jm100051g BindingDB Entry DOI: 10.7270/Q2474BTP
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50157511 (CHEMBL387638 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...) Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nnn(C)n1 |r| Show InChI InChI=1S/C24H20ClFN8O/c1-14(29-24-22(18(25)11-13-28-24)30-20(35)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)23-31-33-34(2)32-23/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,35)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at bradykinin B1 receptor expresed in CHO cells assessed as inhibition of des-arg10-kallidin-induced increase in cytosolic calciu...				J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50459007 (CHEMBL4218734) Show SMILES COCc1ccc(cn1)-c1ccc2ncc(C(N)=O)c(N[C@@H](C)C3CCOCC3)c2c1 |r| Show InChI InChI=1S/C24H28N4O3/c1-15(16-7-9-31-10-8-16)28-23-20-11-17(18-3-5-19(14-30-2)26-12-18)4-6-22(20)27-13-21(23)24(25)29/h3-6,11-13,15-16H,7-10,14H2,1-2H3,(H2,25,29)(H,27,28)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATM (unknown origin) using p53 as substrate incubated for 30 mins followed by substrate addition measured after 2 hrs in presence of AT...				J Med Chem 59: 6281-92 (2016) Article DOI: 10.1021/acs.jmedchem.6b00519 BindingDB Entry DOI: 10.7270/Q2NV9NR8
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50157516 (4'-{(R)-1-[3-(2-cyano-acetylamino)-4-methyl-pyridi...) Show SMILES COC(=O)c1ccc(C)cc1-c1ccc(cc1)[C@@H](C)Nc1nccc(C)c1NC(=O)CC#N |r| Show InChI InChI=1S/C26H26N4O3/c1-16-5-10-21(26(32)33-4)22(15-16)20-8-6-19(7-9-20)18(3)29-25-24(17(2)12-14-28-25)30-23(31)11-13-27/h5-10,12,14-15,18H,11H2,1-4H3,(H,28,29)(H,30,31)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at bradykinin B1 receptor expresed in CHO cells assessed as inhibition of des-arg10-kallidin-induced increase in cytosolic calciu...				J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50157518 (5-chloro-4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamin...) Show SMILES COC(=O)c1ccc(Cl)cc1-c1ccc(cc1)[C@@H](C)Nc1nccc(Cl)c1NC(=O)CC#N |r| Show InChI InChI=1S/C24H20Cl2N4O3/c1-14(29-23-22(20(26)10-12-28-23)30-21(31)9-11-27)15-3-5-16(6-4-15)19-13-17(25)7-8-18(19)24(32)33-2/h3-8,10,12-14H,9H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at bradykinin B1 receptor expresed in CHO cells assessed as inhibition of des-arg10-kallidin-induced increase in cytosolic calciu...				J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50272850 (2-(methoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-...) Show SMILES COCc1nc(Nc2ccc(cc2)C(F)(F)F)c2ccc(cc2n1)-c1ncccc1C(F)(F)F Show InChI InChI=1S/C23H16F6N4O/c1-34-12-19-32-18-11-13(20-17(23(27,28)29)3-2-10-30-20)4-9-16(18)21(33-19)31-15-7-5-14(6-8-15)22(24,25)26/h2-11H,12H2,1H3,(H,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Inhibition of human TRPV1				J Med Chem 53: 3330-48 (2010) Article DOI: 10.1021/jm100051g BindingDB Entry DOI: 10.7270/Q2474BTP
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50315612 (7-[3-(Trifluoromethyl)pyridin-2-yl]-N-[5-(trifluor...) Show SMILES FC(F)(F)c1ccc(Nc2ccnc3cc(ccc23)-c2ncccc2C(F)(F)F)nc1 Show InChI InChI=1S/C21H12F6N4/c22-20(23,24)13-4-6-18(30-11-13)31-16-7-9-28-17-10-12(3-5-14(16)17)19-15(21(25,26)27)2-1-8-29-19/h1-11H,(H,28,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.65	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...				J Med Chem 53: 3330-48 (2010) Article DOI: 10.1021/jm100051g BindingDB Entry DOI: 10.7270/Q2474BTP
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50535972 (CHEMBL4565988) Show SMILES C[C@@H](Nc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H19ClN4O/c1-14(15-4-7-18(24)8-5-15)28-22-19-11-16(17-3-2-10-26-12-17)6-9-21(19)27-13-20(22)23(25)29/h2-14H,1H3,(H2,25,29)(H,27,28)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATM (unknown origin) using p53 as substrate incubated for 30 mins followed by substrate addition measured after 2 hrs in presence of AT...				J Med Chem 59: 6281-92 (2016) Article DOI: 10.1021/acs.jmedchem.6b00519 BindingDB Entry DOI: 10.7270/Q2NV9NR8
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50208517 (2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one | C...) Show SMILES O=c1cc(oc(c1)-c1cccc2Sc3ccccc3Sc12)N1CCOCC1 Show InChI InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	<2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATM (unknown origin) using p53 as substrate incubated for 30 mins followed by substrate addition measured after 2 hrs in presence of AT...				J Med Chem 59: 6281-92 (2016) Article DOI: 10.1021/acs.jmedchem.6b00519 BindingDB Entry DOI: 10.7270/Q2NV9NR8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50315615 (7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluor...) Show SMILES FC(F)(F)c1ccc(Nc2ccnc3nc(ccc23)-c2ncccc2C(F)(F)F)nc1 Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)11-3-6-16(29-10-11)30-14-7-9-28-18-12(14)4-5-15(31-18)17-13(20(24,25)26)2-1-8-27-17/h1-10H,(H,28,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...				J Med Chem 53: 3330-48 (2010) Article DOI: 10.1021/jm100051g BindingDB Entry DOI: 10.7270/Q2474BTP
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Oryctolagus cuniculus)	BDBM50157515 (4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamino)-pyridi...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc(cc1)[C@@H](C)Nc1nccc(Cl)c1NC(=O)CC#N |r| Show InChI InChI=1S/C24H20ClFN4O3/c1-14(29-23-22(18(25)11-13-28-23)30-20(31)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)24(32)33-2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Activity at rabbit bradykinin B1 receptor assessed by FLIPR assay				J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50184737 (CHEMBL378563 | N-(4-(trifluoromethyl)phenyl)-4-(3-...) Show SMILES FC(F)(F)c1ccc(NC(=O)c2ccc(cc2)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C20H12F6N2O/c21-19(22,23)14-7-9-15(10-8-14)28-18(29)13-5-3-12(4-6-13)17-16(20(24,25)26)2-1-11-27-17/h1-11H,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	5.5	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of acidic pH 5.5-stimulated current in CHO cells expressing human TRPV1 receptor by patch clamp				Bioorg Med Chem Lett 16: 2872-6 (2006) Article DOI: 10.1016/j.bmcl.2006.03.004 BindingDB Entry DOI: 10.7270/Q2959H50
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50315615 (7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluor...) Show SMILES FC(F)(F)c1ccc(Nc2ccnc3nc(ccc23)-c2ncccc2C(F)(F)F)nc1 Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)11-3-6-16(29-10-11)30-14-7-9-28-18-12(14)4-5-15(31-18)17-13(20(24,25)26)2-1-8-27-17/h1-10H,(H,28,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.25	n/a	n/a	n/a	n/a	5.0	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Inhibition of rat TRPV1 at pH 5 to 5.5				J Med Chem 53: 3330-48 (2010) Article DOI: 10.1021/jm100051g BindingDB Entry DOI: 10.7270/Q2474BTP
					More data for this Ligand-Target Pair

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