Compile Data Set for Download or QSAR

Found 1853 hits with Last Name = 'hunt' and Initial = 'jt'   

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
Androgen receptor (Homo sapiens (Human))	BDBM50158075 ((2S,6R)-4-(4-Nitro-naphthalen-1-yl)-4-aza-tricyclo...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |c:6,TLB:1:2:7.6:4,THB:9:8:7.6:4,(.02,2.61,;-1.14,1.58,;-2.64,1.89,;-4.27,2.42,;-4.54,3.83,;-4.67,1.18,;-5.99,.53,;-5.37,1.65,;-3.41,.55,;-2.38,-.59,;-2.7,-2.09,;-.97,.04,;.36,-.73,;.36,-2.28,;1.69,-3.05,;3.02,-2.28,;4.36,-3.05,;4.36,-4.59,;5.71,-2.28,;3.02,-.73,;4.36,.04,;4.36,1.58,;3.02,2.33,;1.69,1.57,;1.69,.04,)| Show InChI InChI=1S/C19H14N2O4/c22-18-16-10-5-6-11(9-10)17(16)19(23)20(18)14-7-8-15(21(24)25)13-4-2-1-3-12(13)14/h1-8,10-11,22-23H,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DHT binding to T877A androgen receptor of LNCaP cells				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50158078 ((2S,6R)-4-(4-Bromo-3-trifluoromethyl-phenyl)-4-aza...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(Br)c(c1)C(F)(F)F |c:6,THB:9:8:6.7:4| Show InChI InChI=1S/C16H11BrF3NO2/c17-11-4-3-9(6-10(11)16(18,19)20)21-14(22)12-7-1-2-8(5-7)13(12)15(21)23/h1-4,6-8,22-23H,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DHT binding to T877A androgen receptor of LNCaP cells				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18162 ((1R,6R,7S)-4-(4-nitronaphthalen-1-yl)-2,4-diazatri...) Show SMILES Oc1c2[C@H]3CC[C@H](C3)n2c(=O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |r,wU:6.6,3.7,(12.2,-7.28,;12.6,-8.77,;11.56,-9.96,;10.02,-9.96,;9.25,-11.29,;10.02,-12.62,;11.56,-12.62,;10.02,-11.73,;12.33,-11.29,;13.87,-10.92,;15.03,-11.93,;14,-9.4,;15.49,-9,;16.07,-7.57,;17.59,-7.36,;18.54,-8.57,;20.06,-8.36,;20.83,-9.69,;20.64,-6.93,;17.96,-10,;18.91,-11.21,;18.34,-12.64,;16.81,-12.86,;15.86,-11.64,;16.44,-10.22,)| Show InChI InChI=1S/C18H15N3O4/c22-17-16-10-5-6-11(9-10)19(16)18(23)20(17)14-7-8-15(21(24)25)13-4-2-1-3-12(13)14/h1-4,7-8,10-11,22H,5-6,9H2/t10-,11+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-DHT from androgen receptor of human MDA-453 cells				Bioorg Med Chem Lett 14: 6107-11 (2004) Article DOI: 10.1016/j.bmcl.2004.09.049 BindingDB Entry DOI: 10.7270/Q2T1533W
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50158075 ((2S,6R)-4-(4-Nitro-naphthalen-1-yl)-4-aza-tricyclo...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |c:6,TLB:1:2:7.6:4,THB:9:8:7.6:4,(.02,2.61,;-1.14,1.58,;-2.64,1.89,;-4.27,2.42,;-4.54,3.83,;-4.67,1.18,;-5.99,.53,;-5.37,1.65,;-3.41,.55,;-2.38,-.59,;-2.7,-2.09,;-.97,.04,;.36,-.73,;.36,-2.28,;1.69,-3.05,;3.02,-2.28,;4.36,-3.05,;4.36,-4.59,;5.71,-2.28,;3.02,-.73,;4.36,.04,;4.36,1.58,;3.02,2.33,;1.69,1.57,;1.69,.04,)| Show InChI InChI=1S/C19H14N2O4/c22-18-16-10-5-6-11(9-10)17(16)19(23)20(18)14-7-8-15(21(24)25)13-4-2-1-3-12(13)14/h1-8,10-11,22-23H,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DHT binding to androgen receptor of MDA-453 cells				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50157825 ((2R,6S)-4-(4-Nitro-3-trifluoromethyl-phenyl)-4-aza...) Show SMILES Oc1c2C3CCC(C3)c2c(O)n1-c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |TLB:9:8:7:4.5,THB:1:2:7:4.5| Show InChI InChI=1S/C16H13F3N2O4/c17-16(18,19)10-6-9(3-4-11(10)21(24)25)20-14(22)12-7-1-2-8(5-7)13(12)15(20)23/h3-4,6-8,22-23H,1-2,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DHT binding to T877A androgen receptor of LNCaP cells				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50158073 ((2R,6S)-4-[3-(trifluoromethyl)phenyl]-4-azatricycl...) Show SMILES Oc1c2C3CCC(C3)c2c(O)n1-c1cccc(c1)C(F)(F)F |TLB:1:2:7:5.4,THB:9:8:7:5.4| Show InChI InChI=1S/C16H14F3NO2/c17-16(18,19)10-2-1-3-11(7-10)20-14(21)12-8-4-5-9(6-8)13(12)15(20)22/h1-3,7-9,21-22H,4-6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DHT binding to T877A androgen receptor of LNCaP cells				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50158067 ((2S,6R)-4-(3-Chloro-4-fluoro-phenyl)-4-aza-tricycl...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(F)c(Cl)c1 |c:6,THB:9:8:6.7:4| Show InChI InChI=1S/C15H11ClFNO2/c16-10-6-9(3-4-11(10)17)18-14(19)12-7-1-2-8(5-7)13(12)15(18)20/h1-4,6-8,19-20H,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DHT binding to T877A androgen receptor of LNCaP cells				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50068673 (2'-Formylaminomethyl-4'-isobutyl-biphenyl-2-sulfon...) Show SMILES CC(C)Cc1ccc(c(CNC=O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C23H27N3O4S/c1-15(2)11-18-9-10-20(19(12-18)13-24-14-27)21-7-5-6-8-22(21)31(28,29)26-23-16(3)17(4)25-30-23/h5-10,12,14-15,26H,11,13H2,1-4H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor				J Med Chem 41: 5198-218 (1999) Article DOI: 10.1021/jm970872k BindingDB Entry DOI: 10.7270/Q2J9672R
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM35909 (2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...) Show SMILES CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DHT binding to T877A androgen receptor of LNCaP cells				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50158073 ((2R,6S)-4-[3-(trifluoromethyl)phenyl]-4-azatricycl...) Show SMILES Oc1c2C3CCC(C3)c2c(O)n1-c1cccc(c1)C(F)(F)F |TLB:1:2:7:5.4,THB:9:8:7:5.4| Show InChI InChI=1S/C16H14F3NO2/c17-16(18,19)10-2-1-3-11(7-10)20-14(21)12-8-4-5-9(6-8)13(12)15(20)22/h1-3,7-9,21-22H,4-6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DHT binding to T877A androgen receptor of LNCaP cells				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50068706 (6-(2-Hydroxy-ethoxy)-4'-isobutyl-biphenyl-2-sulfon...) Show SMILES CC(C)Cc1ccc(cc1)-c1c(OCCO)cccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C23H28N2O5S/c1-15(2)14-18-8-10-19(11-9-18)22-20(29-13-12-26)6-5-7-21(22)31(27,28)25-23-16(3)17(4)24-30-23/h5-11,15,25-26H,12-14H2,1-4H3	PDB Reactome pathway 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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor				J Med Chem 41: 5198-218 (1999) Article DOI: 10.1021/jm970872k BindingDB Entry DOI: 10.7270/Q2J9672R
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50158072 ((2S,6R)-4-(3,4-Dimethyl-phenyl)-4-aza-tricyclo[5.2...) Show SMILES Cc1ccc(cc1C)-n1c(O)c2C3CC(C=C3)c2c1O |c:16,THB:9:11:15.16:13| Show InChI InChI=1S/C17H17NO2/c1-9-3-6-13(7-10(9)2)18-16(19)14-11-4-5-12(8-11)15(14)17(18)20/h3-7,11-12,19-20H,8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DHT binding to T877A androgen receptor of LNCaP cells				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50158068 ((2S,6R)-4-(4-Bromo-3-methyl-phenyl)-4-aza-tricyclo...) Show SMILES Cc1cc(ccc1Br)-n1c(O)c2C3CC(C=C3)c2c1O |c:16,THB:9:11:15.16:13| Show InChI InChI=1S/C16H14BrNO2/c1-8-6-11(4-5-12(8)17)18-15(19)13-9-2-3-10(7-9)14(13)16(18)20/h2-6,9-10,19-20H,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DHT binding to T877A androgen receptor of LNCaP cells				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50068674 (2'-Amino-4'-isobutyl-biphenyl-2-sulfonic acid (3,4...) Show SMILES CC(C)Cc1ccc(c(N)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C21H25N3O3S/c1-13(2)11-16-9-10-17(19(22)12-16)18-7-5-6-8-20(18)28(25,26)24-21-14(3)15(4)23-27-21/h5-10,12-13,24H,11,22H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor				J Med Chem 41: 5198-218 (1999) Article DOI: 10.1021/jm970872k BindingDB Entry DOI: 10.7270/Q2J9672R
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50158071 ((2S,6R)-4-(4-Nitro-3-trifluoromethyl-phenyl)-4-aza...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |c:6,TLB:1:2:6.7:4,THB:9:8:6.7:4| Show InChI InChI=1S/C16H11F3N2O4/c17-16(18,19)10-6-9(3-4-11(10)21(24)25)20-14(22)12-7-1-2-8(5-7)13(12)15(20)23/h1-4,6-8,22-23H,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DHT binding to T877A androgen receptor of LNCaP cells				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50068720 (6-Hydroxy-4'-isobutyl-biphenyl-2-sulfonic acid (3,...) Show SMILES CC(C)Cc1ccc(cc1)-c1c(O)cccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C21H24N2O4S/c1-13(2)12-16-8-10-17(11-9-16)20-18(24)6-5-7-19(20)28(25,26)23-21-14(3)15(4)22-27-21/h5-11,13,23-24H,12H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor				J Med Chem 41: 5198-218 (1999) Article DOI: 10.1021/jm970872k BindingDB Entry DOI: 10.7270/Q2J9672R
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50157825 ((2R,6S)-4-(4-Nitro-3-trifluoromethyl-phenyl)-4-aza...) Show SMILES Oc1c2C3CCC(C3)c2c(O)n1-c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |TLB:9:8:7:4.5,THB:1:2:7:4.5| Show InChI InChI=1S/C16H13F3N2O4/c17-16(18,19)10-6-9(3-4-11(10)21(24)25)20-14(22)12-7-1-2-8(5-7)13(12)15(20)23/h3-4,6-8,22-23H,1-2,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DHT binding to androgen receptor of MDA-453 cells				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50068713 (4'-Isobutyl-2'-methyl-biphenyl-2-sulfonic acid (3,...) Show SMILES CC(C)Cc1ccc(c(C)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C22H26N2O3S/c1-14(2)12-18-10-11-19(15(3)13-18)20-8-6-7-9-21(20)28(25,26)24-22-16(4)17(5)23-27-22/h6-11,13-14,24H,12H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor				J Med Chem 41: 5198-218 (1999) Article DOI: 10.1021/jm970872k BindingDB Entry DOI: 10.7270/Q2J9672R
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50156515 ((1R,2R,6S,7S)-4-(4-Nitro-3-trifluoromethyl-phenyl)...) Show SMILES Oc1c2[C@H]3CC[C@H](C3)c2c(O)n1-c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C16H13F3N2O4/c17-16(18,19)10-6-9(3-4-11(10)21(24)25)20-14(22)12-7-1-2-8(5-7)13(12)15(20)23/h3-4,6-8,22-23H,1-2,5H2/t7-,8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-DHT from androgen receptor of human MDA-453 cells				Bioorg Med Chem Lett 14: 6107-11 (2004) Article DOI: 10.1016/j.bmcl.2004.09.049 BindingDB Entry DOI: 10.7270/Q2T1533W
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50157825 ((2R,6S)-4-(4-Nitro-3-trifluoromethyl-phenyl)-4-aza...) Show SMILES Oc1c2C3CCC(C3)c2c(O)n1-c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |TLB:9:8:7:4.5,THB:1:2:7:4.5| Show InChI InChI=1S/C16H13F3N2O4/c17-16(18,19)10-6-9(3-4-11(10)21(24)25)20-14(22)12-7-1-2-8(5-7)13(12)15(20)23/h3-4,6-8,22-23H,1-2,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DHT binding to androgen receptor of MDA-453 cells				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50158070 ((2S,6R)-4-(3,5-Dichloro-phenyl)-4-aza-tricyclo[5.2...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1cc(Cl)cc(Cl)c1 |c:6,TLB:1:2:7.6:4,THB:9:8:7.6:4| Show InChI InChI=1S/C15H11Cl2NO2/c16-9-4-10(17)6-11(5-9)18-14(19)12-7-1-2-8(3-7)13(12)15(18)20/h1-2,4-8,19-20H,3H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DHT binding to T877A androgen receptor of LNCaP cells				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50068740 (2'-Ethylamino-4'-isobutyl-biphenyl-2-sulfonic acid...) Show SMILES CCNc1cc(CC(C)C)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C23H29N3O3S/c1-6-24-21-14-18(13-15(2)3)11-12-19(21)20-9-7-8-10-22(20)30(27,28)26-23-16(4)17(5)25-29-23/h7-12,14-15,24,26H,6,13H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor				J Med Chem 41: 5198-218 (1999) Article DOI: 10.1021/jm970872k BindingDB Entry DOI: 10.7270/Q2J9672R
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50068697 (2'-(2-Hydroxy-ethylamino)-4'-isobutyl-biphenyl-2-s...) Show SMILES CC(C)Cc1ccc(c(NCCO)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C23H29N3O4S/c1-15(2)13-18-9-10-19(21(14-18)24-11-12-27)20-7-5-6-8-22(20)31(28,29)26-23-16(3)17(4)25-30-23/h5-10,14-15,24,26-27H,11-13H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor				J Med Chem 41: 5198-218 (1999) Article DOI: 10.1021/jm970872k BindingDB Entry DOI: 10.7270/Q2J9672R
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50158077 ((2S,6R)-4-(3-Trifluoromethyl-phenyl)-4-aza-tricycl...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1cccc(c1)C(F)(F)F |c:6,THB:1:2:7.6:4| Show InChI InChI=1S/C16H12F3NO2/c17-16(18,19)10-2-1-3-11(7-10)20-14(21)12-8-4-5-9(6-8)13(12)15(20)22/h1-5,7-9,21-22H,6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DHT binding to T877A androgen receptor of LNCaP cells				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50068736 (2'-Hydroxy-4'-isobutyl-biphenyl-2-sulfonic acid (3...) Show SMILES CC(C)Cc1ccc(c(O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C21H24N2O4S/c1-13(2)11-16-9-10-17(19(24)12-16)18-7-5-6-8-20(18)28(25,26)23-21-14(3)15(4)22-27-21/h5-10,12-13,23-24H,11H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor				J Med Chem 41: 5198-218 (1999) Article DOI: 10.1021/jm970872k BindingDB Entry DOI: 10.7270/Q2J9672R
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50156504 ((1S,6R,7S)-4-(4-Cyano-3-trifluoromethyl-phenyl)-3,...) Show SMILES Oc1c2[C@@H]3C[C@@H](CN3C(=O)Oc3ccc(F)cc3)n2c(=O)n1-c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C22H14F4N4O4/c23-12-2-5-15(6-3-12)34-21(33)28-10-14-8-17(28)18-19(31)30(20(32)29(14)18)13-4-1-11(9-27)16(7-13)22(24,25)26/h1-7,14,17,31H,8,10H2/t14-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-DHT from androgen receptor of human MDA-453 cells				Bioorg Med Chem Lett 14: 6107-11 (2004) Article DOI: 10.1016/j.bmcl.2004.09.049 BindingDB Entry DOI: 10.7270/Q2T1533W
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50156521 ((1S,6R,7S)-8-Benzoyl-4-(4-nitro-phenyl)-2,4,8-tria...) Show SMILES Oc1c2[C@@H]3C[C@@H](CN3C(=O)c3ccccc3)n2c(=O)n1-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C20H16N4O5/c25-18(12-4-2-1-3-5-12)21-11-15-10-16(21)17-19(26)23(20(27)22(15)17)13-6-8-14(9-7-13)24(28)29/h1-9,15-16,26H,10-11H2/t15-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-DHT from androgen receptor of human MDA-453 cells				Bioorg Med Chem Lett 14: 6107-11 (2004) Article DOI: 10.1016/j.bmcl.2004.09.049 BindingDB Entry DOI: 10.7270/Q2T1533W
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50156513 ((1S,6R,7S)-4-(4-Nitro-naphthalen-1-yl)-3,5-dioxo-2...) Show SMILES Oc1c2[C@@H]3C[C@@H](CN3C(=O)Oc3ccc(F)cc3)n2c(=O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |wU:3.3,5.4,(1.62,1.68,;1.15,.21,;-.3,-.27,;-1.63,.51,;-.88,-.83,;-1.63,-2.57,;-2.96,-1.81,;-2.96,-.27,;-4.29,.51,;-4.29,2.05,;-5.63,-.27,;-6.96,.51,;-8.29,-.27,;-9.63,.49,;-9.65,2.05,;-10.86,2.66,;-8.29,2.82,;-6.96,2.05,;-.3,-1.81,;1.15,-2.28,;1.62,-3.74,;2.04,-1.04,;3.61,-1.04,;4.37,-2.38,;5.9,-2.38,;6.69,-1.05,;8.24,-1.05,;9.01,-2.38,;9.01,.3,;5.9,.3,;6.67,1.63,;5.9,2.96,;4.36,2.94,;3.61,1.61,;4.37,.3,)| Show InChI InChI=1S/C24H17FN4O6/c25-13-5-7-15(8-6-13)35-24(32)26-12-14-11-20(26)21-22(30)28(23(31)27(14)21)18-9-10-19(29(33)34)17-4-2-1-3-16(17)18/h1-10,14,20,30H,11-12H2/t14-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-DHT from androgen receptor of human MDA-453 cells				Bioorg Med Chem Lett 14: 6107-11 (2004) Article DOI: 10.1016/j.bmcl.2004.09.049 BindingDB Entry DOI: 10.7270/Q2T1533W
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50158069 ((2S,6R)-4-Naphthalen-2-yl-4-aza-tricyclo[5.2.1.0*2...) Show SMILES Oc1c2C3CCC(C3)c2c(O)n1-c1ccc2ccccc2c1 |TLB:1:2:7:5.4| Show InChI InChI=1S/C19H17NO2/c21-18-16-13-5-6-14(9-13)17(16)19(22)20(18)15-8-7-11-3-1-2-4-12(11)10-15/h1-4,7-8,10,13-14,21-22H,5-6,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DHT binding to T877A androgen receptor of LNCaP cells				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50158065 ((2S,6R)-4-Naphthalen-2-yl-4-aza-tricyclo[5.2.1.0*2...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc2ccccc2c1 |c:6,THB:1:2:6.7:4| Show InChI InChI=1S/C19H15NO2/c21-18-16-13-5-6-14(9-13)17(16)19(22)20(18)15-8-7-11-3-1-2-4-12(11)10-15/h1-8,10,13-14,21-22H,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DHT binding to T877A androgen receptor of LNCaP cells				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50158074 ((2R,6S)-4-(4-nitrophenyl)-4-azatricyclo[5.2.1.0~2,...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(cc1)[N+]([O-])=O |c:6,THB:9:8:7.6:4| Show InChI InChI=1S/C15H12N2O4/c18-14-12-8-1-2-9(7-8)13(12)15(19)16(14)10-3-5-11(6-4-10)17(20)21/h1-6,8-9,18-19H,7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DHT binding to T877A androgen receptor of LNCaP cells				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50068685 (4'-Isobutyl-biphenyl-2-sulfonic acid (4,5-dimethyl...) Show SMILES CC(C)Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1noc(C)c1C Show InChI InChI=1S/C21H24N2O3S/c1-14(2)13-17-9-11-18(12-10-17)19-7-5-6-8-20(19)27(24,25)23-21-15(3)16(4)26-22-21/h5-12,14H,13H2,1-4H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor				J Med Chem 41: 5198-218 (1999) Article DOI: 10.1021/jm970872k BindingDB Entry DOI: 10.7270/Q2J9672R
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50158076 ((2S,6R)-4-Quinolin-7-yl-4-aza-tricyclo[5.2.1.0*2,6...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc2cccnc2c1 |c:6,THB:9:8:6.7:4| Show InChI InChI=1S/C18H14N2O2/c21-17-15-11-3-4-12(8-11)16(15)18(22)20(17)13-6-5-10-2-1-7-19-14(10)9-13/h1-7,9,11-12,21-22H,8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DHT binding to T877A androgen receptor of LNCaP cells				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50068722 (5-Amino-4'-isobutyl-biphenyl-2-sulfonic acid (3,4-...) Show SMILES CC(C)Cc1ccc(cc1)-c1cc(N)ccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C21H25N3O3S/c1-13(2)11-16-5-7-17(8-6-16)19-12-18(22)9-10-20(19)28(25,26)24-21-14(3)15(4)23-27-21/h5-10,12-13,24H,11,22H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor				J Med Chem 41: 5198-218 (1999) Article DOI: 10.1021/jm970872k BindingDB Entry DOI: 10.7270/Q2J9672R
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50068704 (4'-Isobutyl-2'-methylamino-biphenyl-2-sulfonic aci...) Show SMILES CNc1cc(CC(C)C)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C22H27N3O3S/c1-14(2)12-17-10-11-18(20(13-17)23-5)19-8-6-7-9-21(19)29(26,27)25-22-15(3)16(4)24-28-22/h6-11,13-14,23,25H,12H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor				J Med Chem 41: 5198-218 (1999) Article DOI: 10.1021/jm970872k BindingDB Entry DOI: 10.7270/Q2J9672R
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50068716 (2'-Amino-biphenyl-2-sulfonic acid (3,4-dimethyl-is...) Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccccc2N)c1C Show InChI InChI=1S/C17H17N3O3S/c1-11-12(2)19-23-17(11)20-24(21,22)16-10-6-4-8-14(16)13-7-3-5-9-15(13)18/h3-10,20H,18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor				J Med Chem 41: 5198-218 (1999) Article DOI: 10.1021/jm970872k BindingDB Entry DOI: 10.7270/Q2J9672R
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50068719 (4'-Isobutyl-6-methoxy-biphenyl-2-sulfonic acid (3,...) Show SMILES COc1cccc(c1-c1ccc(CC(C)C)cc1)S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C22H26N2O4S/c1-14(2)13-17-9-11-18(12-10-17)21-19(27-5)7-6-8-20(21)29(25,26)24-22-15(3)16(4)23-28-22/h6-12,14,24H,13H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor				J Med Chem 41: 5198-218 (1999) Article DOI: 10.1021/jm970872k BindingDB Entry DOI: 10.7270/Q2J9672R
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50068676 (4'-Isopropoxy-biphenyl-2-sulfonic acid (3,4-dimeth...) Show SMILES CC(C)Oc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C20H22N2O4S/c1-13(2)25-17-11-9-16(10-12-17)18-7-5-6-8-19(18)27(23,24)22-20-14(3)15(4)21-26-20/h5-13,22H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor				J Med Chem 41: 5198-218 (1999) Article DOI: 10.1021/jm970872k BindingDB Entry DOI: 10.7270/Q2J9672R
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50068717 (2'-Formylamino-4'-isobutyl-biphenyl-2-sulfonic aci...) Show SMILES CC(C)Cc1ccc(c(NC=O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C22H25N3O4S/c1-14(2)11-17-9-10-18(20(12-17)23-13-26)19-7-5-6-8-21(19)30(27,28)25-22-15(3)16(4)24-29-22/h5-10,12-14,25H,11H2,1-4H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor				J Med Chem 41: 5198-218 (1999) Article DOI: 10.1021/jm970872k BindingDB Entry DOI: 10.7270/Q2J9672R
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50329850 ((R)-3-Amino-4-[(S)-2-((R)-1-{(S)-1-[(R)-1-(1H-indo...) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C |r| Show InChI InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23-,24-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity against ET A receptor				Bioorg Med Chem Lett 5: 253-258 (1995) Article DOI: 10.1016/0960-894X(95)00019-P BindingDB Entry DOI: 10.7270/Q2X067JB
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50068742 (4'-Isobutyl-biphenyl-2-sulfonic acid (3,4-dimethyl...) Show SMILES CC(C)Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C21H24N2O3S/c1-14(2)13-17-9-11-18(12-10-17)19-7-5-6-8-20(19)27(24,25)23-21-15(3)16(4)22-26-21/h5-12,14,23H,13H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor				J Med Chem 41: 5198-218 (1999) Article DOI: 10.1021/jm970872k BindingDB Entry DOI: 10.7270/Q2J9672R
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50068729 (2'-Fluoro-4'-isobutyl-biphenyl-2-sulfonic acid (3,...) Show SMILES CC(C)Cc1ccc(c(F)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C21H23FN2O3S/c1-13(2)11-16-9-10-17(19(22)12-16)18-7-5-6-8-20(18)28(25,26)24-21-14(3)15(4)23-27-21/h5-10,12-13,24H,11H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor				J Med Chem 41: 5198-218 (1999) Article DOI: 10.1021/jm970872k BindingDB Entry DOI: 10.7270/Q2J9672R
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50068698 (2'-Hydroxymethyl-4'-isobutyl-biphenyl-2-sulfonic a...) Show SMILES CC(C)Cc1ccc(c(CO)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C22H26N2O4S/c1-14(2)11-17-9-10-19(18(12-17)13-25)20-7-5-6-8-21(20)29(26,27)24-22-15(3)16(4)23-28-22/h5-10,12,14,24-25H,11,13H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor				J Med Chem 41: 5198-218 (1999) Article DOI: 10.1021/jm970872k BindingDB Entry DOI: 10.7270/Q2J9672R
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50158064 ((2S,6R)-4-(3,5-Bis-trifluoromethyl-phenyl)-4-aza-t...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:6,THB:1:2:6.7:4| Show InChI InChI=1S/C17H11F6NO2/c18-16(19,20)9-4-10(17(21,22)23)6-11(5-9)24-14(25)12-7-1-2-8(3-7)13(12)15(24)26/h1-2,4-8,25-26H,3H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DHT binding to T877A androgen receptor of LNCaP cells				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50184807 ((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...) Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against VEGFR2				J Med Chem 49: 2143-6 (2006) Article DOI: 10.1021/jm051106d BindingDB Entry DOI: 10.7270/Q2WW7H7N
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50184807 ((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...) Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against VEGFR2				J Med Chem 49: 2143-6 (2006) Article DOI: 10.1021/jm051106d BindingDB Entry DOI: 10.7270/Q2WW7H7N
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Mus musculus)	BDBM50184807 ((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...) Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against Flk1				J Med Chem 49: 2143-6 (2006) Article DOI: 10.1021/jm051106d BindingDB Entry DOI: 10.7270/Q2WW7H7N
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50068694 (4'-Propyl-biphenyl-2-sulfonic acid (3,4-dimethyl-i...) Show SMILES CCCc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C20H22N2O3S/c1-4-7-16-10-12-17(13-11-16)18-8-5-6-9-19(18)26(23,24)22-20-14(2)15(3)21-25-20/h5-6,8-13,22H,4,7H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor				J Med Chem 41: 5198-218 (1999) Article DOI: 10.1021/jm970872k BindingDB Entry DOI: 10.7270/Q2J9672R
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50068677 (4'-Isobutyl-2'-propylamino-biphenyl-2-sulfonic aci...) Show SMILES CCCNc1cc(CC(C)C)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C24H31N3O3S/c1-6-13-25-22-15-19(14-16(2)3)11-12-20(22)21-9-7-8-10-23(21)31(28,29)27-24-17(4)18(5)26-30-24/h7-12,15-16,25,27H,6,13-14H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor				J Med Chem 41: 5198-218 (1999) Article DOI: 10.1021/jm970872k BindingDB Entry DOI: 10.7270/Q2J9672R
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50068686 (4'-Isobutoxy-biphenyl-2-sulfonic acid (3,4-dimethy...) Show SMILES CC(C)COc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C21H24N2O4S/c1-14(2)13-26-18-11-9-17(10-12-18)19-7-5-6-8-20(19)28(24,25)23-21-15(3)16(4)22-27-21/h5-12,14,23H,13H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor				J Med Chem 41: 5198-218 (1999) Article DOI: 10.1021/jm970872k BindingDB Entry DOI: 10.7270/Q2J9672R
					More data for this Ligand-Target Pair

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