Compile Data Set for Download or QSAR

Found 287 hits with Last Name = 'wernet' and Initial = 'w'   

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
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50345133 ((S)-1-((R)-5-chloro-3-(2-methoxy-5-(pyrrolidin-1-y...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1cc(CN2CCCC2)ccc1OC |r| Show InChI InChI=1S/C34H39ClN4O6S/c1-36(2)32(40)30-8-7-19-38(30)34(28-20-23(9-16-31(28)45-4)22-37-17-5-6-18-37)27-21-24(35)10-15-29(27)39(33(34)41)46(42,43)26-13-11-25(44-3)12-14-26/h9-16,20-21,30H,5-8,17-19,22H2,1-4H3/t30-,34+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting				Bioorg Med Chem Lett 21: 3828-31 (2011) Article DOI: 10.1016/j.bmcl.2011.03.012 BindingDB Entry DOI: 10.7270/Q20P10BC
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50345134 ((S)-1-((R)-5-chloro-3-(2-methoxy-5-((4-methylpiper...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1cc(CN2CCN(C)CC2)ccc1OC |r| Show InChI InChI=1S/C35H42ClN5O6S/c1-37(2)33(42)31-7-6-16-40(31)35(29-21-24(8-15-32(29)47-5)23-39-19-17-38(3)18-20-39)28-22-25(36)9-14-30(28)41(34(35)43)48(44,45)27-12-10-26(46-4)11-13-27/h8-15,21-22,31H,6-7,16-20,23H2,1-5H3/t31-,35+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting				Bioorg Med Chem Lett 21: 3828-31 (2011) Article DOI: 10.1016/j.bmcl.2011.03.012 BindingDB Entry DOI: 10.7270/Q20P10BC
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50345131 ((S)-1-((R)-5-chloro-3-(2-methoxy-4-((4-methylpiper...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccc(CN2CCN(C)CC2)cc1OC |r| Show InChI InChI=1S/C35H42ClN5O6S/c1-37(2)33(42)31-7-6-16-40(31)35(28-14-8-24(21-32(28)47-5)23-39-19-17-38(3)18-20-39)29-22-25(36)9-15-30(29)41(34(35)43)48(44,45)27-12-10-26(46-4)11-13-27/h8-15,21-22,31H,6-7,16-20,23H2,1-5H3/t31-,35-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting				Bioorg Med Chem Lett 21: 3828-31 (2011) Article DOI: 10.1016/j.bmcl.2011.03.012 BindingDB Entry DOI: 10.7270/Q20P10BC
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50345130 ((S)-1-((R)-5-chloro-3-(2-methoxy-4-(pyrrolidin-1-y...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccc(CN2CCCC2)cc1OC |r| Show InChI InChI=1S/C34H39ClN4O6S/c1-36(2)32(40)30-8-7-19-38(30)34(27-15-9-23(20-31(27)45-4)22-37-17-5-6-18-37)28-21-24(35)10-16-29(28)39(33(34)41)46(42,43)26-13-11-25(44-3)12-14-26/h9-16,20-21,30H,5-8,17-19,22H2,1-4H3/t30-,34-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting				Bioorg Med Chem Lett 21: 3828-31 (2011) Article DOI: 10.1016/j.bmcl.2011.03.012 BindingDB Entry DOI: 10.7270/Q20P10BC
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50050807 (3-Methoxy-2-(4-methoxy-6-methyl-pyrimidin-2-yloxy)...) Show SMILES COc1cc(C)nc(OC(C(O)=O)C(OC)(c2ccccc2)c2ccccc2)n1 Show InChI InChI=1S/C22H22N2O5/c1-15-14-18(27-2)24-21(23-15)29-19(20(25)26)22(28-3,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-14,19H,1-3H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BASF AG Curated by ChEMBL					Assay Description Binding affinity of the compound towards human Endothelin A receptor by measuring its ability to displace [125I]-ET-1 from CHO cells				J Med Chem 39: 2123-8 (1996) Article DOI: 10.1021/jm960274q BindingDB Entry DOI: 10.7270/Q2G44PDH
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50345132 ((S)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulfonyl...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1cc(CN2CCCC2)ccc1OC |r| Show InChI InChI=1S/C35H41ClN4O7S/c1-37(2)33(41)29-9-8-18-39(29)35(27-19-23(10-14-30(27)46-4)22-38-16-6-7-17-38)26-20-24(36)11-13-28(26)40(34(35)42)48(43,44)32-15-12-25(45-3)21-31(32)47-5/h10-15,19-21,29H,6-9,16-18,22H2,1-5H3/t29-,35+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting				Bioorg Med Chem Lett 21: 3828-31 (2011) Article DOI: 10.1016/j.bmcl.2011.03.012 BindingDB Entry DOI: 10.7270/Q20P10BC
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50050793 (3-Methoxy-2-(4-methoxy-6,7-dihydro-5H-cyclopentapy...) Show SMILES COc1nc(OC(C(O)=O)C(OC)(c2ccccc2)c2ccccc2)nc2CCCc12 Show InChI InChI=1S/C24H24N2O5/c1-29-21-18-14-9-15-19(18)25-23(26-21)31-20(22(27)28)24(30-2,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,20H,9,14-15H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BASF AG Curated by ChEMBL					Assay Description Binding affinity of the compound towards human Endothelin A receptor by measuring its ability to displace [125I]-ET-1 from CHO cells				J Med Chem 39: 2123-8 (1996) Article DOI: 10.1021/jm960274q BindingDB Entry DOI: 10.7270/Q2G44PDH
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50050789 (2-(4-Ethyl-6-methyl-pyrimidin-2-yloxy)-3-methoxy-3...) Show SMILES CCc1cc(C)nc(OC(C(O)=O)C(OC)(c2ccccc2)c2ccccc2)n1 Show InChI InChI=1S/C23H24N2O4/c1-4-19-15-16(2)24-22(25-19)29-20(21(26)27)23(28-3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-15,20H,4H2,1-3H3,(H,26,27)	PDB 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
BASF AG Curated by ChEMBL					Assay Description Binding affinity of the compound towards human Endothelin A receptor by measuring its ability to displace [125I]-ET-1 from CHO cells				J Med Chem 39: 2123-8 (1996) Article DOI: 10.1021/jm960274q BindingDB Entry DOI: 10.7270/Q2G44PDH
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50176440 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCN2c3ccccc3C(=O)CCC2=O)CC1 Show InChI InChI=1S/C27H34F3N5O2/c1-26(2,3)25-31-22(27(28,29)30)18-23(32-25)34-16-14-33(15-17-34)12-6-7-13-35-20-9-5-4-8-19(20)21(36)10-11-24(35)37/h4-5,8-9,18H,6-7,10-17H2,1-3H3	PDB 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
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to human cloned dopamine D3 receptor				Bioorg Med Chem Lett 16: 658-62 (2005) Article DOI: 10.1016/j.bmcl.2005.10.035 BindingDB Entry DOI: 10.7270/Q2K64HN6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50181170 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES Cc1ccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)c1 Show InChI InChI=1S/C23H32F3N5O/c1-17-7-10-31(20(32)15-17)9-6-5-8-29-11-13-30(14-12-29)19-16-18(23(24,25)26)27-21(28-19)22(2,3)4/h7,10,15-16H,5-6,8-9,11-14H2,1-4H3	PDB 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
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to cloned human dopamine D3 receptor				Bioorg Med Chem Lett 16: 1934-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.079 BindingDB Entry DOI: 10.7270/Q29S1QMG
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50345129 ((S)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulfonyl...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccc(CN2CCCC2)cc1OC |r| Show InChI InChI=1S/C35H41ClN4O7S/c1-37(2)33(41)29-9-8-18-39(29)35(26-13-10-23(19-30(26)46-4)22-38-16-6-7-17-38)27-20-24(36)11-14-28(27)40(34(35)42)48(43,44)32-15-12-25(45-3)21-31(32)47-5/h10-15,19-21,29H,6-9,16-18,22H2,1-5H3/t29-,35-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting				Bioorg Med Chem Lett 21: 3828-31 (2011) Article DOI: 10.1016/j.bmcl.2011.03.012 BindingDB Entry DOI: 10.7270/Q20P10BC
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50181161 (3-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES CCN(CC)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C22H37F3N6O/c1-6-30(7-2)20(32)26-10-8-9-11-29-12-14-31(15-13-29)18-16-17(22(23,24)25)27-19(28-18)21(3,4)5/h16H,6-15H2,1-5H3,(H,26,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to cloned human dopamine D3 receptor				Bioorg Med Chem Lett 16: 1934-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.079 BindingDB Entry DOI: 10.7270/Q29S1QMG
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50050800 (3-Methoxy-2-(4-methoxy-5,6-dihydro-furo[2,3-d]pyri...) Show SMILES COc1nc(OC(C(O)=O)C(OC)(c2ccccc2)c2ccccc2)nc2OCCc12 Show InChI InChI=1S/C23H22N2O6/c1-28-19-17-13-14-30-20(17)25-22(24-19)31-18(21(26)27)23(29-2,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,18H,13-14H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BASF AG Curated by ChEMBL					Assay Description Binding affinity of the compound towards human Endothelin A receptor by measuring its ability to displace [125I]-ET-1 from CHO cells				J Med Chem 39: 2123-8 (1996) Article DOI: 10.1021/jm960274q BindingDB Entry DOI: 10.7270/Q2G44PDH
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50050796 (2-(4,6-Diethyl-pyrimidin-2-yloxy)-3-methoxy-3,3-di...) Show SMILES CCc1cc(CC)nc(OC(C(O)=O)C(OC)(c2ccccc2)c2ccccc2)n1 Show InChI InChI=1S/C24H26N2O4/c1-4-19-16-20(5-2)26-23(25-19)30-21(22(27)28)24(29-3,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-16,21H,4-5H2,1-3H3,(H,27,28)	PDB UniProtKB/SwissProt 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
BASF AG Curated by ChEMBL					Assay Description Binding affinity of the compound towards human Endothelin A receptor by measuring its ability to displace [125I]-ET-1 from CHO cells				J Med Chem 39: 2123-8 (1996) Article DOI: 10.1021/jm960274q BindingDB Entry DOI: 10.7270/Q2G44PDH
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50050806 (2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-methoxy-3,3-d...) Show SMILES COC(C(Oc1nc(C)cc(C)n1)C(O)=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BASF AG Curated by ChEMBL					Assay Description Binding affinity of the compound towards human Endothelin A receptor by measuring its ability to displace [125I]-ET-1 from CHO cells				J Med Chem 39: 2123-8 (1996) Article DOI: 10.1021/jm960274q BindingDB Entry DOI: 10.7270/Q2G44PDH
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50181164 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(O)cc2=O)CC1 Show InChI InChI=1S/C22H30F3N5O2/c1-21(2,3)20-26-17(22(23,24)25)15-18(27-20)29-12-10-28(11-13-29)7-4-5-8-30-9-6-16(31)14-19(30)32/h6,9,14-15,31H,4-5,7-8,10-13H2,1-3H3	PDB 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
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to cloned human dopamine D3 receptor				Bioorg Med Chem Lett 16: 1934-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.079 BindingDB Entry DOI: 10.7270/Q29S1QMG
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50345139 ((R)-5-chloro-3-(2-methoxy-5-(pyrrolidin-1-ylmethyl...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2c2ncco2)(c2cc(Cl)ccc12)c1cc(CN2CCCC2)ccc1OC |r| Show InChI InChI=1S/C34H35ClN4O6S/c1-43-25-9-11-26(12-10-25)46(41,42)39-29-13-8-24(35)21-27(29)34(33(39)40,38-18-5-6-30(38)32-36-15-19-45-32)28-20-23(7-14-31(28)44-2)22-37-16-3-4-17-37/h7-15,19-21,30H,3-6,16-18,22H2,1-2H3/t30-,34+/m0/s1	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
Abbott Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting				Bioorg Med Chem Lett 21: 3828-31 (2011) Article DOI: 10.1016/j.bmcl.2011.03.012 BindingDB Entry DOI: 10.7270/Q20P10BC
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50345143 ((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1cccnc1OC |r| Show InChI InChI=1S/C29H31ClN4O8S/c1-32(2)27(36)23-14-18(35)16-33(23)29(20-7-6-12-31-26(20)42-5)21-13-17(30)8-10-22(21)34(28(29)37)43(38,39)25-11-9-19(40-3)15-24(25)41-4/h6-13,15,18,23,35H,14,16H2,1-5H3/t18-,23+,29+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting				Bioorg Med Chem Lett 21: 3828-31 (2011) Article DOI: 10.1016/j.bmcl.2011.03.012 BindingDB Entry DOI: 10.7270/Q20P10BC
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50177356 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES Cc1cn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)[nH]c1=O Show InChI InChI=1S/C22H31F3N6O2/c1-15-14-31(20(33)28-18(15)32)8-6-5-7-29-9-11-30(12-10-29)17-13-16(22(23,24)25)26-19(27-17)21(2,3)4/h13-14H,5-12H2,1-4H3,(H,28,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to human cloned dopamine D3 receptor				Bioorg Med Chem Lett 16: 490-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.068 BindingDB Entry DOI: 10.7270/Q2TH8M89
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50345142 ((R)-5-chloro-3-(2-methoxy-5-((4-methylpiperazin-1-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2c2ncco2)(c2cc(Cl)ccc12)c1cc(CN2CCN(C)CC2)ccc1OC |r| Show InChI InChI=1S/C35H38ClN5O6S/c1-38-16-18-39(19-17-38)23-24-6-13-32(46-3)29(21-24)35(40-15-4-5-31(40)33-37-14-20-47-33)28-22-25(36)7-12-30(28)41(34(35)42)48(43,44)27-10-8-26(45-2)9-11-27/h6-14,20-22,31H,4-5,15-19,23H2,1-3H3/t31-,35+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting				Bioorg Med Chem Lett 21: 3828-31 (2011) Article DOI: 10.1016/j.bmcl.2011.03.012 BindingDB Entry DOI: 10.7270/Q20P10BC
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50177350 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(nc2=O)-c2ccccc2)CC1 Show InChI InChI=1S/C27H33F3N6O/c1-26(2,3)24-32-22(27(28,29)30)19-23(33-24)35-17-15-34(16-18-35)12-7-8-13-36-14-11-21(31-25(36)37)20-9-5-4-6-10-20/h4-6,9-11,14,19H,7-8,12-13,15-18H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to cloned human dopamine D3 receptor				Bioorg Med Chem Lett 16: 1934-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.079 BindingDB Entry DOI: 10.7270/Q29S1QMG
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50177350 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(nc2=O)-c2ccccc2)CC1 Show InChI InChI=1S/C27H33F3N6O/c1-26(2,3)24-32-22(27(28,29)30)19-23(33-24)35-17-15-34(16-18-35)12-7-8-13-36-14-11-21(31-25(36)37)20-9-5-4-6-10-20/h4-6,9-11,14,19H,7-8,12-13,15-18H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to human cloned dopamine D3 receptor				Bioorg Med Chem Lett 16: 490-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.068 BindingDB Entry DOI: 10.7270/Q2TH8M89
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50181169 (CHEMBL207871 | N-(4-(4-(2-tert-butyl-6-(trifluorom...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)CCc2ccccc2)CC1 Show InChI InChI=1S/C26H36F3N5O/c1-25(2,3)24-31-21(26(27,28)29)19-22(32-24)34-17-15-33(16-18-34)14-8-7-13-30-23(35)12-11-20-9-5-4-6-10-20/h4-6,9-10,19H,7-8,11-18H2,1-3H3,(H,30,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to cloned human dopamine D3 receptor				Bioorg Med Chem Lett 16: 1934-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.079 BindingDB Entry DOI: 10.7270/Q29S1QMG
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50299343 ((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r| Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting				Bioorg Med Chem Lett 21: 3828-31 (2011) Article DOI: 10.1016/j.bmcl.2011.03.012 BindingDB Entry DOI: 10.7270/Q20P10BC
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50177357 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES CCc1cn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)[nH]c1=O Show InChI InChI=1S/C23H33F3N6O2/c1-5-16-15-32(21(34)29-19(16)33)9-7-6-8-30-10-12-31(13-11-30)18-14-17(23(24,25)26)27-20(28-18)22(2,3)4/h14-15H,5-13H2,1-4H3,(H,29,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to human cloned dopamine D3 receptor				Bioorg Med Chem Lett 16: 490-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.068 BindingDB Entry DOI: 10.7270/Q2TH8M89
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50177349 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(=O)[nH]c2=O)CC1 Show InChI InChI=1S/C21H29F3N6O2/c1-20(2,3)18-25-15(21(22,23)24)14-16(26-18)29-12-10-28(11-13-29)7-4-5-8-30-9-6-17(31)27-19(30)32/h6,9,14H,4-5,7-8,10-13H2,1-3H3,(H,27,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to human cloned dopamine D3 receptor				Bioorg Med Chem Lett 16: 490-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.068 BindingDB Entry DOI: 10.7270/Q2TH8M89
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50177349 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(=O)[nH]c2=O)CC1 Show InChI InChI=1S/C21H29F3N6O2/c1-20(2,3)18-25-15(21(22,23)24)14-16(26-18)29-12-10-28(11-13-29)7-4-5-8-30-9-6-17(31)27-19(30)32/h6,9,14H,4-5,7-8,10-13H2,1-3H3,(H,27,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to cloned human dopamine D3 receptor				Bioorg Med Chem Lett 16: 1934-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.079 BindingDB Entry DOI: 10.7270/Q29S1QMG
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50345140 ((R)-5-chloro-3-(5-((dimethylamino)methyl)-2-methox...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2c2ncco2)(c2cc(Cl)ccc12)c1cc(CN(C)C)ccc1OC |r| Show InChI InChI=1S/C32H33ClN4O6S/c1-35(2)20-21-7-14-29(42-4)26(18-21)32(36-16-5-6-28(36)30-34-15-17-43-30)25-19-22(33)8-13-27(25)37(31(32)38)44(39,40)24-11-9-23(41-3)10-12-24/h7-15,17-19,28H,5-6,16,20H2,1-4H3/t28-,32+/m0/s1	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
Abbott Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting				Bioorg Med Chem Lett 21: 3828-31 (2011) Article DOI: 10.1016/j.bmcl.2011.03.012 BindingDB Entry DOI: 10.7270/Q20P10BC
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50345145 ((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1cnccc1OC |r| Show InChI InChI=1S/C29H31ClN4O8S/c1-32(2)27(36)23-13-18(35)16-33(23)29(21-15-31-11-10-24(21)41-4)20-12-17(30)6-8-22(20)34(28(29)37)43(38,39)26-9-7-19(40-3)14-25(26)42-5/h6-12,14-15,18,23,35H,13,16H2,1-5H3/t18-,23+,29-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting				Bioorg Med Chem Lett 21: 3828-31 (2011) Article DOI: 10.1016/j.bmcl.2011.03.012 BindingDB Entry DOI: 10.7270/Q20P10BC
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50181165 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES COc1cccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c1=O Show InChI InChI=1S/C23H32F3N5O2/c1-22(2,3)21-27-18(23(24,25)26)16-19(28-21)30-14-12-29(13-15-30)9-5-6-10-31-11-7-8-17(33-4)20(31)32/h7-8,11,16H,5-6,9-10,12-15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to cloned human dopamine D3 receptor				Bioorg Med Chem Lett 16: 1934-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.079 BindingDB Entry DOI: 10.7270/Q29S1QMG
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50181172 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES Cc1cccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c1=O Show InChI InChI=1S/C23H32F3N5O/c1-17-8-7-11-31(20(17)32)10-6-5-9-29-12-14-30(15-13-29)19-16-18(23(24,25)26)27-21(28-19)22(2,3)4/h7-8,11,16H,5-6,9-10,12-15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to cloned human dopamine D3 receptor				Bioorg Med Chem Lett 16: 1934-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.079 BindingDB Entry DOI: 10.7270/Q29S1QMG
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50177347 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2cc(Cl)c(=O)[nH]c2=O)CC1 Show InChI InChI=1S/C21H28ClF3N6O2/c1-20(2,3)18-26-15(21(23,24)25)12-16(27-18)30-10-8-29(9-11-30)6-4-5-7-31-13-14(22)17(32)28-19(31)33/h12-13H,4-11H2,1-3H3,(H,28,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to human cloned dopamine D3 receptor				Bioorg Med Chem Lett 16: 490-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.068 BindingDB Entry DOI: 10.7270/Q2TH8M89
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50176451 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCN2c3cccc(O)c3CCCC2=O)CC1 Show InChI InChI=1S/C27H36F3N5O2/c1-26(2,3)25-31-22(27(28,29)30)18-23(32-25)34-16-14-33(15-17-34)12-4-5-13-35-20-9-7-10-21(36)19(20)8-6-11-24(35)37/h7,9-10,18,36H,4-6,8,11-17H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to human cloned dopamine D3 receptor				Bioorg Med Chem Lett 16: 658-62 (2005) Article DOI: 10.1016/j.bmcl.2005.10.035 BindingDB Entry DOI: 10.7270/Q2K64HN6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50177344 (4-tert-butyl-1-(4-(4-(2-tert-butyl-6-(trifluoromet...) Show SMILES CC(C)(C)c1ccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)n1 Show InChI InChI=1S/C25H37F3N6O/c1-23(2,3)18-9-12-34(22(35)30-18)11-8-7-10-32-13-15-33(16-14-32)20-17-19(25(26,27)28)29-21(31-20)24(4,5)6/h9,12,17H,7-8,10-11,13-16H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to human cloned dopamine D3 receptor				Bioorg Med Chem Lett 16: 490-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.068 BindingDB Entry DOI: 10.7270/Q2TH8M89
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50181156 (1-benzyl-3-(4-(4-(2-tert-butyl-6-(trifluoromethyl)...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)NCc2ccccc2)CC1 Show InChI InChI=1S/C25H35F3N6O/c1-24(2,3)22-31-20(25(26,27)28)17-21(32-22)34-15-13-33(14-16-34)12-8-7-11-29-23(35)30-18-19-9-5-4-6-10-19/h4-6,9-10,17H,7-8,11-16,18H2,1-3H3,(H2,29,30,35)	PDB UniProtKB/SwissProt antibodypedia 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
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to cloned human dopamine D3 receptor				Bioorg Med Chem Lett 16: 1934-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.079 BindingDB Entry DOI: 10.7270/Q29S1QMG
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50177354 (2-(3-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCSc2nccc(=O)[nH]2)CC1 Show InChI InChI=1S/C20H27F3N6OS/c1-19(2,3)17-25-14(20(21,22)23)13-15(26-17)29-10-8-28(9-11-29)7-4-12-31-18-24-6-5-16(30)27-18/h5-6,13H,4,7-12H2,1-3H3,(H,24,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to human cloned dopamine D3 receptor				Bioorg Med Chem Lett 16: 490-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.068 BindingDB Entry DOI: 10.7270/Q2TH8M89
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50177343 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2cc(F)c(=O)[nH]c2=O)CC1 Show InChI InChI=1S/C21H28F4N6O2/c1-20(2,3)18-26-15(21(23,24)25)12-16(27-18)30-10-8-29(9-11-30)6-4-5-7-31-13-14(22)17(32)28-19(31)33/h12-13H,4-11H2,1-3H3,(H,28,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to human cloned dopamine D3 receptor				Bioorg Med Chem Lett 16: 490-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.068 BindingDB Entry DOI: 10.7270/Q2TH8M89
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27122 (2-[1-(4-cyanophenyl)piperidin-4-yl]-1H-1,3-benzodi...) Show SMILES NC(=O)c1cccc2nc([nH]c12)C1CCN(CC1)c1ccc(cc1)C#N Show InChI InChI=1S/C20H19N5O/c21-12-13-4-6-15(7-5-13)25-10-8-14(9-11-25)20-23-17-3-1-2-16(19(22)26)18(17)24-20/h1-7,14H,8-11H2,(H2,22,26)(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50181162 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)Nc2ccccc2)CC1 Show InChI InChI=1S/C24H33F3N6O/c1-23(2,3)21-30-19(24(25,26)27)17-20(31-21)33-15-13-32(14-16-33)12-8-7-11-28-22(34)29-18-9-5-4-6-10-18/h4-6,9-10,17H,7-8,11-16H2,1-3H3,(H2,28,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to cloned human dopamine D3 receptor				Bioorg Med Chem Lett 16: 1934-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.079 BindingDB Entry DOI: 10.7270/Q29S1QMG
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50177342 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(nc2=O)N2CCCCC2)CC1 Show InChI InChI=1S/C26H38F3N7O/c1-25(2,3)23-30-20(26(27,28)29)19-22(31-23)35-17-15-33(16-18-35)10-7-8-13-36-14-9-21(32-24(36)37)34-11-5-4-6-12-34/h9,14,19H,4-8,10-13,15-18H2,1-3H3	PDB UniProtKB/SwissProt 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
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to human cloned dopamine D3 receptor				Bioorg Med Chem Lett 16: 490-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.068 BindingDB Entry DOI: 10.7270/Q2TH8M89
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50176446 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C26H34F3N5O/c1-25(2,3)24-30-21(26(27,28)29)18-22(31-24)33-16-14-32(15-17-33)12-6-7-13-34-20-9-5-4-8-19(20)10-11-23(34)35/h4-5,8-9,18H,6-7,10-17H2,1-3H3	PDB UniProtKB/SwissProt 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
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to human cloned dopamine D3 receptor				Bioorg Med Chem Lett 16: 658-62 (2005) Article DOI: 10.1016/j.bmcl.2005.10.035 BindingDB Entry DOI: 10.7270/Q2K64HN6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50177353 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(nc2=O)C2CC2)CC1 Show InChI InChI=1S/C24H33F3N6O/c1-23(2,3)21-29-19(24(25,26)27)16-20(30-21)32-14-12-31(13-15-32)9-4-5-10-33-11-8-18(17-6-7-17)28-22(33)34/h8,11,16-17H,4-7,9-10,12-15H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to human cloned dopamine D3 receptor				Bioorg Med Chem Lett 16: 490-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.068 BindingDB Entry DOI: 10.7270/Q2TH8M89
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50345144 ((S)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulfonyl...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1cccnc1OC |r| Show InChI InChI=1S/C29H31ClN4O7S/c1-32(2)27(35)23-9-7-15-33(23)29(20-8-6-14-31-26(20)41-5)21-16-18(30)10-12-22(21)34(28(29)36)42(37,38)25-13-11-19(39-3)17-24(25)40-4/h6,8,10-14,16-17,23H,7,9,15H2,1-5H3/t23-,29-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting				Bioorg Med Chem Lett 21: 3828-31 (2011) Article DOI: 10.1016/j.bmcl.2011.03.012 BindingDB Entry DOI: 10.7270/Q20P10BC
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50176445 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCN2CCC(=O)CCC2=O)CC1 Show InChI InChI=1S/C23H34F3N5O2/c1-22(2,3)21-27-18(23(24,25)26)16-19(28-21)30-14-12-29(13-15-30)9-4-5-10-31-11-8-17(32)6-7-20(31)33/h16H,4-15H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to human cloned dopamine D3 receptor				Bioorg Med Chem Lett 16: 658-62 (2005) Article DOI: 10.1016/j.bmcl.2005.10.035 BindingDB Entry DOI: 10.7270/Q2K64HN6
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50345141 ((R)-5-chloro-3-(2-methoxy-5-((methylamino)methyl)p...) Show SMILES CNCc1ccc(OC)c(c1)[C@@]1(N2CCC[C@H]2c2ncco2)C(=O)N(c2ccc(Cl)cc12)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C31H31ClN4O6S/c1-33-19-20-6-13-28(41-3)25(17-20)31(35-15-4-5-27(35)29-34-14-16-42-29)24-18-21(32)7-12-26(24)36(30(31)37)43(38,39)23-10-8-22(40-2)9-11-23/h6-14,16-18,27,33H,4-5,15,19H2,1-3H3/t27-,31+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting				Bioorg Med Chem Lett 21: 3828-31 (2011) Article DOI: 10.1016/j.bmcl.2011.03.012 BindingDB Entry DOI: 10.7270/Q20P10BC
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27096 (2-(pyrrolidin-3-yl)-1H-1,3-benzodiazole-4-carboxam...) Show SMILES NC(=O)c1cccc2nc([nH]c12)C1CCNC1 Show InChI InChI=1S/C12H14N4O/c13-11(17)8-2-1-3-9-10(8)16-12(15-9)7-4-5-14-6-7/h1-3,7,14H,4-6H2,(H2,13,17)(H,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	-47.5	n/a	n/a	n/a	n/a	n/a	8.0	22
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50181171 (1-tert-butyl-3-(4-(4-(2-tert-butyl-6-(trifluoromet...) Show SMILES CC(C)(C)NC(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C22H37F3N6O/c1-20(2,3)18-27-16(22(23,24)25)15-17(28-18)31-13-11-30(12-14-31)10-8-7-9-26-19(32)29-21(4,5)6/h15H,7-14H2,1-6H3,(H2,26,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to cloned human dopamine D3 receptor				Bioorg Med Chem Lett 16: 1934-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.079 BindingDB Entry DOI: 10.7270/Q29S1QMG
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27124 (2-(1-cyclopentylazepan-4-yl)-1H-1,3-benzodiazole-4...) Show SMILES NC(=O)c1cccc2nc([nH]c12)C1CCCN(CC1)C1CCCC1 Show InChI InChI=1S/C19H26N4O/c20-18(24)15-8-3-9-16-17(15)22-19(21-16)13-5-4-11-23(12-10-13)14-6-1-2-7-14/h3,8-9,13-14H,1-2,4-7,10-12H2,(H2,20,24)(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50177345 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES Cc1ccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)n1 Show InChI InChI=1S/C22H31F3N6O/c1-16-7-10-31(20(32)26-16)9-6-5-8-29-11-13-30(14-12-29)18-15-17(22(23,24)25)27-19(28-18)21(2,3)4/h7,10,15H,5-6,8-9,11-14H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to cloned human dopamine D3 receptor				Bioorg Med Chem Lett 16: 1934-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.079 BindingDB Entry DOI: 10.7270/Q29S1QMG
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50177345 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES Cc1ccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)n1 Show InChI InChI=1S/C22H31F3N6O/c1-16-7-10-31(20(32)26-16)9-6-5-8-29-11-13-30(14-12-29)18-15-17(22(23,24)25)27-19(28-18)21(2,3)4/h7,10,15H,5-6,8-9,11-14H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to human cloned dopamine D3 receptor				Bioorg Med Chem Lett 16: 490-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.068 BindingDB Entry DOI: 10.7270/Q2TH8M89
					More data for this Ligand-Target Pair

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