Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50037501   

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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50161217 (CHEMBL195057 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...) Show SMILES Oc1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C21H23Cl2N3O2/c22-18-4-3-5-19(20(18)23)26-14-12-25(13-15-26)11-2-1-10-24-21(28)16-6-8-17(27)9-7-16/h1-9,27H,10-15H2,(H,24,28)/b2-1+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Mitogenic stimulation or antagonism of 30 nM quinpirole-stimulated mitogenesis in CHO cells expressing human dopamine D3 receptor				J Med Chem 48: 3663-79 (2005) Article DOI: 10.1021/jm040190e BindingDB Entry DOI: 10.7270/Q2474BNF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50161221 (CHEMBL194493 | N-{(E)-4-[4-(2,3-Dichloro-phenyl)-p...) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C21H22Cl2N4O3/c22-18-4-3-5-19(20(18)23)26-14-12-25(13-15-26)11-2-1-10-24-21(28)16-6-8-17(9-7-16)27(29)30/h1-9H,10-15H2,(H,24,28)/b2-1+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Mitogenic stimulation or antagonism of 30 nM quinpirole-stimulated mitogenesis in CHO cells expressing human dopamine D3 receptor				J Med Chem 48: 3663-79 (2005) Article DOI: 10.1021/jm040190e BindingDB Entry DOI: 10.7270/Q2474BNF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50161214 (CHEMBL180010 | N-(4-(4-(2,3-dichlorophenyl)piperaz...) Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c1Cl Show InChI InChI=1S/C26H26Cl2N4O/c27-22-6-5-8-24(25(22)28)32-18-16-31(17-19-32)15-4-3-14-30-26(33)21-11-9-20(10-12-21)23-7-1-2-13-29-23/h1-13H,14-19H2,(H,30,33)/b4-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.01	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Mitogenic stimulation or antagonism of 30 nM quinpirole-stimulated mitogenesis in CHO cells expressing human dopamine D3 receptor				J Med Chem 48: 3663-79 (2005) Article DOI: 10.1021/jm040190e BindingDB Entry DOI: 10.7270/Q2474BNF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50161227 (CHEMBL370713 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...) Show SMILES COc1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C22H25Cl2N3O2/c1-29-18-9-7-17(8-10-18)22(28)25-11-2-3-12-26-13-15-27(16-14-26)20-6-4-5-19(23)21(20)24/h2-10H,11-16H2,1H3,(H,25,28)/b3-2+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.79	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Mitogenic stimulation or antagonism of 30 nM quinpirole-stimulated mitogenesis in CHO cells expressing human dopamine D3 receptor				J Med Chem 48: 3663-79 (2005) Article DOI: 10.1021/jm040190e BindingDB Entry DOI: 10.7270/Q2474BNF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50119390 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...) Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1Cl Show InChI InChI=1S/C23H25Cl2N3OS/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.94	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Mitogenic stimulation or antagonism of 30 nM quinpirole-stimulated mitogenesis in CHO cells expressing human dopamine D3 receptor				J Med Chem 48: 3663-79 (2005) Article DOI: 10.1021/jm040190e BindingDB Entry DOI: 10.7270/Q2474BNF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50129426 (CHEMBL69451 | N-(4-(4-(2,3-dichlorophenyl)piperazi...) Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c1Cl Show InChI InChI=1S/C26H28Cl2N4O/c27-22-6-5-8-24(25(22)28)32-18-16-31(17-19-32)15-4-3-14-30-26(33)21-11-9-20(10-12-21)23-7-1-2-13-29-23/h1-2,5-13H,3-4,14-19H2,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Mitogenic stimulation or antagonism of 30 nM quinpirole-stimulated mitogenesis in CHO cells expressing human dopamine D3 receptor				J Med Chem 48: 3663-79 (2005) Article DOI: 10.1021/jm040190e BindingDB Entry DOI: 10.7270/Q2474BNF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50129433 (CHEMBL71327 | N-{(E)-4-[4-(2,3-Dichloro-phenyl)-pi...) Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccccc3)CC2)c1Cl Show InChI InChI=1S/C21H23Cl2N3O/c22-18-9-6-10-19(20(18)23)26-15-13-25(14-16-26)12-5-4-11-24-21(27)17-7-2-1-3-8-17/h1-10H,11-16H2,(H,24,27)/b5-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.71	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Mitogenic stimulation or antagonism of 30 nM quinpirole-stimulated mitogenesis in CHO cells expressing human dopamine D3 receptor				J Med Chem 48: 3663-79 (2005) Article DOI: 10.1021/jm040190e BindingDB Entry DOI: 10.7270/Q2474BNF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50119384 (Benzofuran-2-carboxylic acid {4-[4-(2,3-dichloro-p...) Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1Cl Show InChI InChI=1S/C23H25Cl2N3O2/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.01	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Mitogenic stimulation or antagonism of 30 nM quinpirole-stimulated mitogenesis in CHO cells expressing human dopamine D3 receptor				J Med Chem 48: 3663-79 (2005) Article DOI: 10.1021/jm040190e BindingDB Entry DOI: 10.7270/Q2474BNF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50161242 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...) Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3cc4ccccc4s3)CC2)c1Cl Show InChI InChI=1S/C23H23Cl2N3OS/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-9,16H,10-15H2,(H,26,29)/b4-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.62	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Mitogenic stimulation or antagonism of 30 nM quinpirole-stimulated mitogenesis in CHO cells expressing human dopamine D3 receptor				J Med Chem 48: 3663-79 (2005) Article DOI: 10.1021/jm040190e BindingDB Entry DOI: 10.7270/Q2474BNF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50071959 (9H-Fluorene-2-carboxylic acid {4-[4-(2,3-dichloro-...) Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl Show InChI InChI=1S/C28H29Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24/h1-2,5-11,19H,3-4,12-18H2,(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14.4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Mitogenic stimulation or antagonism of 30 nM quinpirole-stimulated mitogenesis in CHO cells expressing human dopamine D3 receptor				J Med Chem 48: 3663-79 (2005) Article DOI: 10.1021/jm040190e BindingDB Entry DOI: 10.7270/Q2474BNF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50161229 (Benzofuran-2-carboxylic acid {4-[4-(2,3-dichloro-p...) Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3cc4ccccc4o3)CC2)c1Cl Show InChI InChI=1S/C23H23Cl2N3O2/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-9,16H,10-15H2,(H,26,29)/b4-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18.7	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Mitogenic stimulation or antagonism of 30 nM quinpirole-stimulated mitogenesis in CHO cells expressing human dopamine D3 receptor				J Med Chem 48: 3663-79 (2005) Article DOI: 10.1021/jm040190e BindingDB Entry DOI: 10.7270/Q2474BNF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50161224 (CHEMBL180060 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...) Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccc(I)cc3)CC2)c1Cl Show InChI InChI=1S/C21H22Cl2IN3O/c22-18-4-3-5-19(20(18)23)27-14-12-26(13-15-27)11-2-1-10-25-21(28)16-6-8-17(24)9-7-16/h1-9H,10-15H2,(H,25,28)/b2-1+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24.1	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Mitogenic stimulation or antagonism of 30 nM quinpirole-stimulated mitogenesis in CHO cells expressing human dopamine D3 receptor				J Med Chem 48: 3663-79 (2005) Article DOI: 10.1021/jm040190e BindingDB Entry DOI: 10.7270/Q2474BNF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50129432 (CHEMBL262724 | Quinoxaline-2-carboxylic acid {4-[4...) Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cnc4ccccc4n3)CC2)c1Cl Show InChI InChI=1S/C23H25Cl2N5O/c24-17-6-5-9-21(22(17)25)30-14-12-29(13-15-30)11-4-3-10-26-23(31)20-16-27-18-7-1-2-8-19(18)28-20/h1-2,5-9,16H,3-4,10-15H2,(H,26,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26.8	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Mitogenic stimulation or antagonism of 30 nM quinpirole-stimulated mitogenesis in CHO cells expressing human dopamine D3 receptor				J Med Chem 48: 3663-79 (2005) Article DOI: 10.1021/jm040190e BindingDB Entry DOI: 10.7270/Q2474BNF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50129428 (CHEMBL302374 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...) Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(I)cc3)CC2)c1Cl Show InChI InChI=1S/C21H24Cl2IN3O/c22-18-4-3-5-19(20(18)23)27-14-12-26(13-15-27)11-2-1-10-25-21(28)16-6-8-17(24)9-7-16/h3-9H,1-2,10-15H2,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31.7	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Mitogenic stimulation or antagonism of 30 nM quinpirole-stimulated mitogenesis in CHO cells expressing human dopamine D3 receptor				J Med Chem 48: 3663-79 (2005) Article DOI: 10.1021/jm040190e BindingDB Entry DOI: 10.7270/Q2474BNF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50129431 (9H-Fluorene-4-carboxylic acid {(E)-4-[4-(2,3-dichl...) Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3cccc4Cc5ccccc5-c34)CC2)c1Cl Show InChI InChI=1S/C28H27Cl2N3O/c29-24-11-6-12-25(27(24)30)33-17-15-32(16-18-33)14-4-3-13-31-28(34)23-10-5-8-21-19-20-7-1-2-9-22(20)26(21)23/h1-12H,13-19H2,(H,31,34)/b4-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Mitogenic stimulation or antagonism of 30 nM quinpirole-stimulated mitogenesis in CHO cells expressing human dopamine D3 receptor				J Med Chem 48: 3663-79 (2005) Article DOI: 10.1021/jm040190e BindingDB Entry DOI: 10.7270/Q2474BNF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50129429 (9H-Fluorene-2-carboxylic acid {(E)-4-[4-(2,3-dichl...) Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl Show InChI InChI=1S/C28H27Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24/h1-11,19H,12-18H2,(H,31,34)/b4-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	173	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Mitogenic stimulation or antagonism of 30 nM quinpirole-stimulated mitogenesis in CHO cells expressing human dopamine D3 receptor				J Med Chem 48: 3663-79 (2005) Article DOI: 10.1021/jm040190e BindingDB Entry DOI: 10.7270/Q2474BNF
					More data for this Ligand-Target Pair