Compile Data Set for Download or QSAR

Found 56 hits with Last Name = 'bagli' and Initial = 'j'   

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
Type-1 angiotensin II receptor A/B (RAT)	BDBM50067536 (5-Hydroxy-2,4-dimethyl-8-[2'-(1H-tetrazol-5-yl)-bi...) Show SMILES Cc1nc(C)c2c(O)cc(=O)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2n1 Show InChI InChI=1S/C23H19N7O2/c1-13-21-19(31)11-20(32)30(23(21)25-14(2)24-13)12-15-7-9-16(10-8-15)17-5-3-4-6-18(17)22-26-28-29-27-22/h3-11,31H,12H2,1-2H3,(H,26,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Compound was evaluated for the in vitro inhibition of specific binding of [125I]-A II to Angiotensin II receptor, type 1 from rat adrenal membranes.				J Med Chem 41: 4251-60 (1998) Article DOI: 10.1021/jm970690q BindingDB Entry DOI: 10.7270/Q2FB55NK
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50471877 (CHEMBL135574) Show SMILES Cc1nc(CO)nc2n(Cc3ccc(cc3)-c3ccccc3-c3nn[nH]n3)c(=O)cc(O)c12 Show InChI InChI=1S/C23H19N7O3/c1-13-21-18(32)10-20(33)30(23(21)25-19(12-31)24-13)11-14-6-8-15(9-7-14)16-4-2-3-5-17(16)22-26-28-29-27-22/h2-10,31-32H,11-12H2,1H3,(H,26,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Compound was evaluated for the in vitro inhibition of specific binding of [125I]-A II to Angiotensin II receptor, type 1 from rat adrenal membranes.				J Med Chem 41: 4251-60 (1998) Article DOI: 10.1021/jm970690q BindingDB Entry DOI: 10.7270/Q2FB55NK
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50040439 (2,4-Dimethyl-8-[2'-(1H-tetrazol-5-yl)-biphenyl-4-y...) Show SMILES Cc1nc(C)c2CCC(=O)N(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2n1 Show InChI InChI=1S/C23H21N7O/c1-14-18-11-12-21(31)30(23(18)25-15(2)24-14)13-16-7-9-17(10-8-16)19-5-3-4-6-20(19)22-26-28-29-27-22/h3-10H,11-13H2,1-2H3,(H,26,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Compound was evaluated for the in vitro inhibition of specific binding of [125I]-A II to Angiotensin II receptor, type 1 from rat adrenal membranes.				J Med Chem 41: 4251-60 (1998) Article DOI: 10.1021/jm970690q BindingDB Entry DOI: 10.7270/Q2FB55NK
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50065115 (3-chloro-4-(10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a...) Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes				Bioorg Med Chem Lett 10: 783-6 (2000) BindingDB Entry DOI: 10.7270/Q24M93RK
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50065115 (3-chloro-4-(10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a...) Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V2 receptor expressed in mouse LV2 cells				Bioorg Med Chem Lett 17: 5796-800 (2007) Article DOI: 10.1016/j.bmcl.2007.08.053 BindingDB Entry DOI: 10.7270/Q2NV9J05
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50087670 (Biphenyl-2-carboxylic acid {3-chloro-4-[3-(4-methy...) Show SMILES CN1CCN(Cc2ccc3CN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4Cl)c4ccccc4Cn23)CC1 Show InChI InChI=1S/C38H36ClN5O2/c1-41-19-21-42(22-20-41)25-30-16-17-31-26-44(36-14-8-5-11-28(36)24-43(30)31)38(46)34-18-15-29(23-35(34)39)40-37(45)33-13-7-6-12-32(33)27-9-3-2-4-10-27/h2-18,23H,19-22,24-26H2,1H3,(H,40,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes				Bioorg Med Chem Lett 10: 783-6 (2000) BindingDB Entry DOI: 10.7270/Q24M93RK
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50087664 (Biphenyl-2-carboxylic acid {3-chloro-4-[3-(4-dimet...) Show SMILES CN(C)C1CCN(Cc2ccc3CN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4Cl)c4ccccc4Cn23)CC1 Show InChI InChI=1S/C40H40ClN5O2/c1-43(2)31-20-22-44(23-21-31)26-32-17-18-33-27-46(38-15-9-6-12-29(38)25-45(32)33)40(48)36-19-16-30(24-37(36)41)42-39(47)35-14-8-7-13-34(35)28-10-4-3-5-11-28/h3-19,24,31H,20-23,25-27H2,1-2H3,(H,42,47)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes				Bioorg Med Chem Lett 10: 783-6 (2000) BindingDB Entry DOI: 10.7270/Q24M93RK
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50087675 (Biphenyl-2-carboxylic acid [4-(3-[1,4']bipiperidin...) Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1Cc2ccc(CN3CCC(CC3)N3CCCCC3)n2Cc2ccccc12 Show InChI InChI=1S/C43H44ClN5O2/c44-40-27-33(45-42(50)38-15-7-6-14-37(38)31-11-3-1-4-12-31)17-20-39(40)43(51)49-30-36-19-18-35(48(36)28-32-13-5-8-16-41(32)49)29-46-25-21-34(22-26-46)47-23-9-2-10-24-47/h1,3-8,11-20,27,34H,2,9-10,21-26,28-30H2,(H,45,50)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes				Bioorg Med Chem Lett 10: 783-6 (2000) BindingDB Entry DOI: 10.7270/Q24M93RK
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50471878 (CHEMBL337067) Show SMILES Cc1nc(C)c2C(O)CC(=O)N(Cc3ccc(cc3)-c3ccccc3-c3nn[nH]n3)c2n1 Show InChI InChI=1S/C23H21N7O2/c1-13-21-19(31)11-20(32)30(23(21)25-14(2)24-13)12-15-7-9-16(10-8-15)17-5-3-4-6-18(17)22-26-28-29-27-22/h3-10,19,31H,11-12H2,1-2H3,(H,26,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Compound was evaluated for the in vitro inhibition of specific binding of [125I]-A II to Angiotensin II receptor, type 1 from rat adrenal membranes.				J Med Chem 41: 4251-60 (1998) Article DOI: 10.1021/jm970690q BindingDB Entry DOI: 10.7270/Q2FB55NK
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50087674 (Biphenyl-2-carboxylic acid [3-chloro-4-(3-{[(2-dim...) Show SMILES CN(C)CCN(C)Cc1ccc2CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3Cl)c3ccccc3Cn12 Show InChI InChI=1S/C38H38ClN5O2/c1-41(2)21-22-42(3)25-30-18-19-31-26-44(36-16-10-7-13-28(36)24-43(30)31)38(46)34-20-17-29(23-35(34)39)40-37(45)33-15-9-8-14-32(33)27-11-5-4-6-12-27/h4-20,23H,21-22,24-26H2,1-3H3,(H,40,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes				Bioorg Med Chem Lett 10: 783-6 (2000) BindingDB Entry DOI: 10.7270/Q24M93RK
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50087667 (10-{4-[(Biphenyl-2-carbonyl)-amino]-2-chloro-benzo...) Show SMILES OC(=O)c1ccc2CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3Cl)c3ccccc3Cn12 Show InChI InChI=1S/C33H24ClN3O4/c34-28-18-23(35-31(38)26-12-6-5-11-25(26)21-8-2-1-3-9-21)14-16-27(28)32(39)37-20-24-15-17-30(33(40)41)36(24)19-22-10-4-7-13-29(22)37/h1-18H,19-20H2,(H,35,38)(H,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes				Bioorg Med Chem Lett 10: 783-6 (2000) BindingDB Entry DOI: 10.7270/Q24M93RK
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50087672 (Biphenyl-2-carboxylic acid [4-(3-dimethylaminometh...) Show SMILES COc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1Cc2ccc(CN(C)C)n2Cc2ccccc12 Show InChI InChI=1S/C36H34N4O3/c1-38(2)23-28-18-19-29-24-40(33-16-10-7-13-27(33)22-39(28)29)36(42)26-17-20-32(34(21-26)43-3)37-35(41)31-15-9-8-14-30(31)25-11-5-4-6-12-25/h4-21H,22-24H2,1-3H3,(H,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes				Bioorg Med Chem Lett 10: 783-6 (2000) BindingDB Entry DOI: 10.7270/Q24M93RK
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50471879 (CHEMBL135309) Show SMILES Cc1nc(C)c2ccc(=O)n(Cc3ccc(cc3)-c3ccccc3-c3nn[nH]n3)c2n1 Show InChI InChI=1S/C23H19N7O/c1-14-18-11-12-21(31)30(23(18)25-15(2)24-14)13-16-7-9-17(10-8-16)19-5-3-4-6-20(19)22-26-28-29-27-22/h3-12H,13H2,1-2H3,(H,26,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Compound was evaluated for the in vitro inhibition of specific binding of [125I]-A II to Angiotensin II receptor, type 1 from rat adrenal membranes.				J Med Chem 41: 4251-60 (1998) Article DOI: 10.1021/jm970690q BindingDB Entry DOI: 10.7270/Q2FB55NK
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50087673 (Biphenyl-2-carboxylic acid {3-methoxy-4-[3-(4-meth...) Show SMILES COc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1Cc2ccc(CN3CCN(C)CC3)n2Cc2ccccc12 Show InChI InChI=1S/C39H39N5O3/c1-41-20-22-42(23-21-41)26-31-17-18-32-27-44(36-15-9-6-12-29(36)25-43(31)32)39(46)35-19-16-30(24-37(35)47-2)40-38(45)34-14-8-7-13-33(34)28-10-4-3-5-11-28/h3-19,24H,20-23,25-27H2,1-2H3,(H,40,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes				Bioorg Med Chem Lett 10: 783-6 (2000) BindingDB Entry DOI: 10.7270/Q24M93RK
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50087666 (Biphenyl-2-carboxylic acid [3-chloro-4-(3-dimethyl...) Show SMILES CN(C)Cc1ccc2CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3Cl)c3ccccc3Cn12 Show InChI InChI=1S/C35H31ClN4O2/c1-38(2)22-27-17-18-28-23-40(33-15-9-6-12-25(33)21-39(27)28)35(42)31-19-16-26(20-32(31)36)37-34(41)30-14-8-7-13-29(30)24-10-4-3-5-11-24/h3-20H,21-23H2,1-2H3,(H,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes				Bioorg Med Chem Lett 10: 783-6 (2000) BindingDB Entry DOI: 10.7270/Q24M93RK
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50087665 (Biphenyl-2-carboxylic acid {3-chloro-4-[3-(4-dimet...) Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc2CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3Cl)c3ccccc3Cn12 Show InChI InChI=1S/C40H38ClN5O3/c1-43(2)30-20-22-44(23-21-30)40(49)37-19-17-31-26-46(36-15-9-6-12-28(36)25-45(31)37)39(48)34-18-16-29(24-35(34)41)42-38(47)33-14-8-7-13-32(33)27-10-4-3-5-11-27/h3-19,24,30H,20-23,25-26H2,1-2H3,(H,42,47)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes				Bioorg Med Chem Lett 10: 783-6 (2000) BindingDB Entry DOI: 10.7270/Q24M93RK
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50222059 (CHEMBL392363 | N-[3-chloro-4-(3-oxo-2,3-dihydro-1H...) Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C=C3CCC(=O)N3Cc3ccccc23)c(Cl)c1 |t:19| Show InChI InChI=1S/C27H21ClFN3O3/c1-16-6-7-18(29)12-22(16)26(34)30-19-8-10-21(23(28)13-19)27(35)32-15-20-9-11-25(33)31(20)14-17-4-2-3-5-24(17)32/h2-8,10,12-13,15H,9,11,14H2,1H3,(H,30,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5796-800 (2007) Article DOI: 10.1016/j.bmcl.2007.08.053 BindingDB Entry DOI: 10.7270/Q2NV9J05
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50087669 (Biphenyl-2-carboxylic acid {3-chloro-4-[3-(4-methy...) Show SMILES CN1CCN(CC1)C(=O)c1ccc2CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3Cl)c3ccccc3Cn12 Show InChI InChI=1S/C38H34ClN5O3/c1-41-19-21-42(22-20-41)38(47)35-18-16-29-25-44(34-14-8-5-11-27(34)24-43(29)35)37(46)32-17-15-28(23-33(32)39)40-36(45)31-13-7-6-12-30(31)26-9-3-2-4-10-26/h2-18,23H,19-22,24-25H2,1H3,(H,40,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes				Bioorg Med Chem Lett 10: 783-6 (2000) BindingDB Entry DOI: 10.7270/Q24M93RK
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50087668 (10-[2-Chloro-4-(5-fluoro-2-methyl-benzoylamino)-be...) Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3ccc(C(O)=O)n3Cc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C28H21ClFN3O4/c1-16-6-7-18(30)12-22(16)26(34)31-19-8-10-21(23(29)13-19)27(35)33-15-20-9-11-25(28(36)37)32(20)14-17-4-2-3-5-24(17)33/h2-13H,14-15H2,1H3,(H,31,34)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes				Bioorg Med Chem Lett 10: 783-6 (2000) BindingDB Entry DOI: 10.7270/Q24M93RK
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50087671 (Biphenyl-2-carboxylic acid [4-(3-dimethylaminometh...) Show SMILES CN(C)Cc1ccc2CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3O)c3ccccc3Cn12 Show InChI InChI=1S/C35H32N4O3/c1-37(2)22-27-17-18-28-23-39(32-15-9-6-12-25(32)21-38(27)28)35(42)31-19-16-26(20-33(31)40)36-34(41)30-14-8-7-13-29(30)24-10-4-3-5-11-24/h3-20,40H,21-23H2,1-2H3,(H,36,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes				Bioorg Med Chem Lett 10: 783-6 (2000) BindingDB Entry DOI: 10.7270/Q24M93RK
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50222058 (CHEMBL237772 | N-[3-chloro-4-(3-oxo-11,11a-dihydro...) Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC3C=CC(=O)N3Cc3ccccc23)c(Cl)c1 |w:19.19,c:21| Show InChI InChI=1S/C27H21ClFN3O3/c1-16-6-7-18(29)12-22(16)26(34)30-19-8-10-21(23(28)13-19)27(35)32-15-20-9-11-25(33)31(20)14-17-4-2-3-5-24(17)32/h2-13,20H,14-15H2,1H3,(H,30,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5796-800 (2007) Article DOI: 10.1016/j.bmcl.2007.08.053 BindingDB Entry DOI: 10.7270/Q2NV9J05
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of bovine lens aldose reductase				J Med Chem 32: 757-65 (1989) BindingDB Entry DOI: 10.7270/Q22B8X0W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of aldose reductase from the partially purified bovine lens				J Med Chem 33: 2892-9 (1990) BindingDB Entry DOI: 10.7270/Q27H1HK5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50177593 ((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...) Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C23H19ClN4O/c1-16-10-12-28(25-16)18-8-9-20(21(24)13-18)23(29)27-15-19-6-4-11-26(19)14-17-5-2-3-7-22(17)27/h2-13H,14-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	80.3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V2 receptor expressed in mouse LV2 cells				Bioorg Med Chem Lett 17: 5796-800 (2007) Article DOI: 10.1016/j.bmcl.2007.08.053 BindingDB Entry DOI: 10.7270/Q2NV9J05
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50065115 (3-chloro-4-(10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a...) Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	124	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]Manning ligand from human vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5796-800 (2007) Article DOI: 10.1016/j.bmcl.2007.08.053 BindingDB Entry DOI: 10.7270/Q2NV9J05
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50016901 ((2-Methyl-3-oxo-3H-phenalen-1-yl)-acetic acid | CH...) Show SMILES Cc1c(O)c2cccc3cccc(c23)c1=CC(O)=O |w:15.18| Show InChI InChI=1S/C16H12O3/c1-9-13(8-14(17)18)11-6-2-4-10-5-3-7-12(15(10)11)16(9)19/h2-8,19H,1H3,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of bovine lens aldose reductase				J Med Chem 32: 757-65 (1989) BindingDB Entry DOI: 10.7270/Q22B8X0W
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50177593 ((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...) Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C23H19ClN4O/c1-16-10-12-28(25-16)18-8-9-20(21(24)13-18)23(29)27-15-19-6-4-11-26(19)14-17-5-2-3-7-22(17)27/h2-13H,14-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	353	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5796-800 (2007) Article DOI: 10.1016/j.bmcl.2007.08.053 BindingDB Entry DOI: 10.7270/Q2NV9J05
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50065115 (3-chloro-4-(10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a...) Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	519	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5796-800 (2007) Article DOI: 10.1016/j.bmcl.2007.08.053 BindingDB Entry DOI: 10.7270/Q2NV9J05
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of aldose reductase (or polyol accumulation) in isolated rat sciatic nerve by compound at 10e-5 M concentration				J Med Chem 32: 757-65 (1989) BindingDB Entry DOI: 10.7270/Q22B8X0W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50016902 (CHEMBL168106 | [Methyl-(naphthalene-1-carbothioyl)...) Show SMILES CN(CC(O)=O)C(=S)c1cccc2ccccc12 Show InChI InChI=1S/C14H13NO2S/c1-15(9-13(16)17)14(18)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of bovine lens aldose reductase				J Med Chem 32: 757-65 (1989) BindingDB Entry DOI: 10.7270/Q22B8X0W
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50026173 (2-{4-[2-(3,4-Dimethoxy-phenyl)-2-hydroxy-ethyl]-pi...) Show SMILES Oc1ccc(CCN2CCN(CC2)c2cccccc2=O)cc1O Show InChI InChI=1S/C19H22N2O3/c22-17-5-3-1-2-4-16(17)21-12-10-20(11-13-21)9-8-15-6-7-18(23)19(24)14-15/h1-7,14,23-24H,8-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was for its ability to displace [3H]-haloperidol binding to rat striatal Dopamine receptor D2				J Med Chem 29: 186-93 (1986) BindingDB Entry DOI: 10.7270/Q2N29VZH
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50177593 ((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...) Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C23H19ClN4O/c1-16-10-12-28(25-16)18-8-9-20(21(24)13-18)23(29)27-15-19-6-4-11-26(19)14-17-5-2-3-7-22(17)27/h2-13H,14-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	778	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]Manning ligand from human vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5796-800 (2007) Article DOI: 10.1016/j.bmcl.2007.08.053 BindingDB Entry DOI: 10.7270/Q2NV9J05
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50026171 (2-[4-(2-Hydroxy-2-phenyl-ethyl)-piperazin-1-yl]-cy...) Show SMILES COc1ccc(CCN2CCN(CC2)c2cccccc2=O)cc1OC Show InChI InChI=1S/C21H26N2O3/c1-25-20-9-8-17(16-21(20)26-2)10-11-22-12-14-23(15-13-22)18-6-4-3-5-7-19(18)24/h3-9,16H,10-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was for its ability to displace [3H]-haloperidol binding to rat striatal Dopamine receptor D2				J Med Chem 29: 186-93 (1986) BindingDB Entry DOI: 10.7270/Q2N29VZH
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50222060 (1-(2-(2-chloro-4-(5-fluoro-2-methylbenzamido)benza...) Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2Cn2cccc2C(O)=O)c(Cl)c1 Show InChI InChI=1S/C27H21ClFN3O4/c1-16-8-9-18(29)13-21(16)26(34)30-19-10-11-20(22(28)14-19)25(33)31-23-6-3-2-5-17(23)15-32-12-4-7-24(32)27(35)36/h2-14H,15H2,1H3,(H,30,34)(H,31,33)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]Manning ligand from human vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5796-800 (2007) Article DOI: 10.1016/j.bmcl.2007.08.053 BindingDB Entry DOI: 10.7270/Q2NV9J05
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50222059 (CHEMBL392363 | N-[3-chloro-4-(3-oxo-2,3-dihydro-1H...) Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C=C3CCC(=O)N3Cc3ccccc23)c(Cl)c1 |t:19| Show InChI InChI=1S/C27H21ClFN3O3/c1-16-6-7-18(29)12-22(16)26(34)30-19-8-10-21(23(28)13-19)27(35)32-15-20-9-11-25(33)31(20)14-17-4-2-3-5-24(17)32/h2-8,10,12-13,15H,9,11,14H2,1H3,(H,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5796-800 (2007) Article DOI: 10.1016/j.bmcl.2007.08.053 BindingDB Entry DOI: 10.7270/Q2NV9J05
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50222060 (1-(2-(2-chloro-4-(5-fluoro-2-methylbenzamido)benza...) Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2Cn2cccc2C(O)=O)c(Cl)c1 Show InChI InChI=1S/C27H21ClFN3O4/c1-16-8-9-18(29)13-21(16)26(34)30-19-10-11-20(22(28)14-19)25(33)31-23-6-3-2-5-17(23)15-32-12-4-7-24(32)27(35)36/h2-14H,15H2,1H3,(H,30,34)(H,31,33)(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5796-800 (2007) Article DOI: 10.1016/j.bmcl.2007.08.053 BindingDB Entry DOI: 10.7270/Q2NV9J05
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50222059 (CHEMBL392363 | N-[3-chloro-4-(3-oxo-2,3-dihydro-1H...) Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C=C3CCC(=O)N3Cc3ccccc23)c(Cl)c1 |t:19| Show InChI InChI=1S/C27H21ClFN3O3/c1-16-6-7-18(29)12-22(16)26(34)30-19-8-10-21(23(28)13-19)27(35)32-15-20-9-11-25(33)31(20)14-17-4-2-3-5-24(17)32/h2-8,10,12-13,15H,9,11,14H2,1H3,(H,30,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]Manning ligand from human vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5796-800 (2007) Article DOI: 10.1016/j.bmcl.2007.08.053 BindingDB Entry DOI: 10.7270/Q2NV9J05
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50222057 (2-(2-chloro-4-(5-fluoro-2-methylbenzamido)benzamid...) Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2C(O)=O)c(Cl)c1 Show InChI InChI=1S/C22H16ClFN2O4/c1-12-6-7-13(24)10-17(12)21(28)25-14-8-9-15(18(23)11-14)20(27)26-19-5-3-2-4-16(19)22(29)30/h2-11H,1H3,(H,25,28)(H,26,27)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5796-800 (2007) Article DOI: 10.1016/j.bmcl.2007.08.053 BindingDB Entry DOI: 10.7270/Q2NV9J05
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50222057 (2-(2-chloro-4-(5-fluoro-2-methylbenzamido)benzamid...) Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2C(O)=O)c(Cl)c1 Show InChI InChI=1S/C22H16ClFN2O4/c1-12-6-7-13(24)10-17(12)21(28)25-14-8-9-15(18(23)11-14)20(27)26-19-5-3-2-4-16(19)22(29)30/h2-11H,1H3,(H,25,28)(H,26,27)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5796-800 (2007) Article DOI: 10.1016/j.bmcl.2007.08.053 BindingDB Entry DOI: 10.7270/Q2NV9J05
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50222058 (CHEMBL237772 | N-[3-chloro-4-(3-oxo-11,11a-dihydro...) Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC3C=CC(=O)N3Cc3ccccc23)c(Cl)c1 |w:19.19,c:21| Show InChI InChI=1S/C27H21ClFN3O3/c1-16-6-7-18(29)12-22(16)26(34)30-19-8-10-21(23(28)13-19)27(35)32-15-20-9-11-25(33)31(20)14-17-4-2-3-5-24(17)32/h2-13,20H,14-15H2,1H3,(H,30,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]Manning ligand from human vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5796-800 (2007) Article DOI: 10.1016/j.bmcl.2007.08.053 BindingDB Entry DOI: 10.7270/Q2NV9J05
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50222057 (2-(2-chloro-4-(5-fluoro-2-methylbenzamido)benzamid...) Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2C(O)=O)c(Cl)c1 Show InChI InChI=1S/C22H16ClFN2O4/c1-12-6-7-13(24)10-17(12)21(28)25-14-8-9-15(18(23)11-14)20(27)26-19-5-3-2-4-16(19)22(29)30/h2-11H,1H3,(H,25,28)(H,26,27)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]Manning ligand from human vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5796-800 (2007) Article DOI: 10.1016/j.bmcl.2007.08.053 BindingDB Entry DOI: 10.7270/Q2NV9J05
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50222058 (CHEMBL237772 | N-[3-chloro-4-(3-oxo-11,11a-dihydro...) Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC3C=CC(=O)N3Cc3ccccc23)c(Cl)c1 |w:19.19,c:21| Show InChI InChI=1S/C27H21ClFN3O3/c1-16-6-7-18(29)12-22(16)26(34)30-19-8-10-21(23(28)13-19)27(35)32-15-20-9-11-25(33)31(20)14-17-4-2-3-5-24(17)32/h2-13,20H,14-15H2,1H3,(H,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5796-800 (2007) Article DOI: 10.1016/j.bmcl.2007.08.053 BindingDB Entry DOI: 10.7270/Q2NV9J05
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50222060 (1-(2-(2-chloro-4-(5-fluoro-2-methylbenzamido)benza...) Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2Cn2cccc2C(O)=O)c(Cl)c1 Show InChI InChI=1S/C27H21ClFN3O4/c1-16-8-9-18(29)13-21(16)26(34)30-19-10-11-20(22(28)14-19)25(33)31-23-6-3-2-5-17(23)15-32-12-4-7-24(32)27(35)36/h2-14H,15H2,1H3,(H,30,34)(H,31,33)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5796-800 (2007) Article DOI: 10.1016/j.bmcl.2007.08.053 BindingDB Entry DOI: 10.7270/Q2NV9J05
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50026172 (2-{4-[2-(3,4-Dimethoxy-phenyl)-2-hydroxy-1-methyl-...) Show SMILES COc1ccc(cc1OC)[C@H](O)[C@@H](C)N1CCN(CC1)c1cccccc1=O Show InChI InChI=1S/C22H28N2O4/c1-16(22(26)17-9-10-20(27-2)21(15-17)28-3)23-11-13-24(14-12-23)18-7-5-4-6-8-19(18)25/h4-10,15-16,22,26H,11-14H2,1-3H3/t16-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was for its ability to displace [3H]-haloperidol binding to rat striatal Dopamine receptor D2				J Med Chem 29: 186-93 (1986) BindingDB Entry DOI: 10.7270/Q2N29VZH
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50452265 (CHEMBL2115477) Show SMILES Cl.COc1ccc(cc1OC)C(O)CN1CCN(CC1)c1cccccc1=O Show InChI InChI=1S/C21H26N2O4.ClH/c1-26-20-9-8-16(14-21(20)27-2)19(25)15-22-10-12-23(13-11-22)17-6-4-3-5-7-18(17)24;/h3-9,14,19,25H,10-13,15H2,1-2H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was for its ability to displace [3H]-haloperidol binding to rat striatal Dopamine receptor D2				J Med Chem 29: 186-93 (1986) BindingDB Entry DOI: 10.7270/Q2N29VZH
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50452267 (Ciladopa) Show SMILES COc1ccc(cc1OC)[C@H](O)CN1CCN(CC1)c1cccccc1=O Show InChI InChI=1S/C21H26N2O4/c1-26-20-9-8-16(14-21(20)27-2)19(25)15-22-10-12-23(13-11-22)17-6-4-3-5-7-18(17)24/h3-9,14,19,25H,10-13,15H2,1-2H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]WB-4101 from rat brain alpha-1 adrenergic receptor				J Med Chem 29: 186-93 (1986) BindingDB Entry DOI: 10.7270/Q2N29VZH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM55121 (3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...) Show SMILES NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was for its ability to displace [3H]-haloperidol binding to rat striatal Dopamine receptor D2				J Med Chem 29: 186-93 (1986) BindingDB Entry DOI: 10.7270/Q2N29VZH
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50222061 (10-[2-chloro-4-(3-methyl-pyrazol-1-yl)-benzoyl]-1,...) Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2C=C3CCC(=O)N3Cc3ccccc23)c(Cl)c1 |t:14| Show InChI InChI=1S/C23H19ClN4O2/c1-15-10-11-28(25-15)17-6-8-19(20(24)12-17)23(30)27-14-18-7-9-22(29)26(18)13-16-4-2-3-5-21(16)27/h2-6,8,10-12,14H,7,9,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V2 receptor expressed in mouse LV2 cells				Bioorg Med Chem Lett 17: 5796-800 (2007) Article DOI: 10.1016/j.bmcl.2007.08.053 BindingDB Entry DOI: 10.7270/Q2NV9J05
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50452266 (CHEMBL2115071) Show SMILES COc1ccc(cc1OC)[C@@H](O)CN1CCN(CC1)c1cccccc1=O |r| Show InChI InChI=1S/C21H26N2O4/c1-26-20-9-8-16(14-21(20)27-2)19(25)15-22-10-12-23(13-11-22)17-6-4-3-5-7-18(17)24/h3-9,14,19,25H,10-13,15H2,1-2H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]WB-4101 from rat brain alpha-1 adrenergic receptor				J Med Chem 29: 186-93 (1986) BindingDB Entry DOI: 10.7270/Q2N29VZH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50452265 (CHEMBL2115477) Show SMILES Cl.COc1ccc(cc1OC)C(O)CN1CCN(CC1)c1cccccc1=O Show InChI InChI=1S/C21H26N2O4.ClH/c1-26-20-9-8-16(14-21(20)27-2)19(25)15-22-10-12-23(13-11-22)17-6-4-3-5-7-18(17)24;/h3-9,14,19,25H,10-13,15H2,1-2H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was for its ability to displace [3H]-haloperidol binding to rat striatal Dopamine receptor D2				J Med Chem 29: 186-93 (1986) BindingDB Entry DOI: 10.7270/Q2N29VZH
					More data for this Ligand-Target Pair

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