Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 15 entry = 50008910   

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))	BDBM50200045 (2-(4-phenylpiperidin-1-yl)-N-(m-tolyl)acetamide | ...) Show SMILES Cc1cccc(NC(=O)CN2CCC(CC2)c2ccccc2)c1 Show InChI InChI=1S/C20H24N2O/c1-16-6-5-9-19(14-16)21-20(23)15-22-12-10-18(11-13-22)17-7-3-2-4-8-17/h2-9,14,18H,10-13,15H2,1H3,(H,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rowan University Curated by ChEMBL					Assay Description Antagonist activity at human D3 receptor expressed in CHOK1 cells assessed as inhibition of dopamine-induced beta-arrestin recruitment measured after...				J Med Chem 62: 3722-3740 (2019) Article DOI: 10.1021/acs.jmedchem.9b00231 BindingDB Entry DOI: 10.7270/Q20C505J
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50523477 (CHEMBL4454068) Show SMILES Cc1cccc(NC(=O)CCN2CCN(CC2)c2ccccn2)c1 Show InChI InChI=1S/C19H24N4O/c1-16-5-4-6-17(15-16)21-19(24)8-10-22-11-13-23(14-12-22)18-7-2-3-9-20-18/h2-7,9,15H,8,10-14H2,1H3,(H,21,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rowan University Curated by ChEMBL					Assay Description Antagonist activity at human D3 receptor expressed in CHOK1 cells assessed as inhibition of dopamine-induced beta-arrestin recruitment measured after...				J Med Chem 62: 3722-3740 (2019) Article DOI: 10.1021/acs.jmedchem.9b00231 BindingDB Entry DOI: 10.7270/Q20C505J
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50523475 (CHEMBL4464861) Show SMILES Cc1cccc(NC(=O)CCN2CCC(CC2)c2ccccn2)c1 Show InChI InChI=1S/C20H25N3O/c1-16-5-4-6-18(15-16)22-20(24)10-14-23-12-8-17(9-13-23)19-7-2-3-11-21-19/h2-7,11,15,17H,8-10,12-14H2,1H3,(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rowan University Curated by ChEMBL					Assay Description Antagonist activity at human D3 receptor expressed in CHOK1 cells assessed as inhibition of dopamine-induced beta-arrestin recruitment measured after...				J Med Chem 62: 3722-3740 (2019) Article DOI: 10.1021/acs.jmedchem.9b00231 BindingDB Entry DOI: 10.7270/Q20C505J
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50523473 (CHEMBL4588808) Show SMILES Cc1cccc(NC(=O)CCN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C18H23N5O/c1-15-4-2-5-16(14-15)21-17(24)6-9-22-10-12-23(13-11-22)18-19-7-3-8-20-18/h2-5,7-8,14H,6,9-13H2,1H3,(H,21,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rowan University Curated by ChEMBL					Assay Description Antagonist activity at human D3 receptor expressed in CHOK1 cells assessed as inhibition of dopamine-induced beta-arrestin recruitment measured after...				J Med Chem 62: 3722-3740 (2019) Article DOI: 10.1021/acs.jmedchem.9b00231 BindingDB Entry DOI: 10.7270/Q20C505J
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50523476 (CHEMBL4442548) Show SMILES CCc1cccc(NC(=O)CN2CCN(CC2)c2ccccn2)c1 Show InChI InChI=1S/C19H24N4O/c1-2-16-6-5-7-17(14-16)21-19(24)15-22-10-12-23(13-11-22)18-8-3-4-9-20-18/h3-9,14H,2,10-13,15H2,1H3,(H,21,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rowan University Curated by ChEMBL					Assay Description Antagonist activity at human D3 receptor expressed in CHOK1 cells assessed as inhibition of dopamine-induced beta-arrestin recruitment measured after...				J Med Chem 62: 3722-3740 (2019) Article DOI: 10.1021/acs.jmedchem.9b00231 BindingDB Entry DOI: 10.7270/Q20C505J
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50200037 (2-(3',4',-5',6'-tetrahydro-2'H-[2,4'-bipyridine]-1...) Show SMILES Cc1cccc(NC(=O)CN2CCC(CC2)c2ccccn2)c1 Show InChI InChI=1S/C19H23N3O/c1-15-5-4-6-17(13-15)21-19(23)14-22-11-8-16(9-12-22)18-7-2-3-10-20-18/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Rowan University Curated by ChEMBL					Assay Description Antagonist activity at human D3 receptor expressed in CHOK1 cells assessed as inhibition of dopamine-induced beta-arrestin recruitment measured after...				J Med Chem 62: 3722-3740 (2019) Article DOI: 10.1021/acs.jmedchem.9b00231 BindingDB Entry DOI: 10.7270/Q20C505J
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50523471 (CHEMBL4443054) Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C17H21N5O/c1-14-4-2-5-15(12-14)20-16(23)13-21-8-10-22(11-9-21)17-18-6-3-7-19-17/h2-7,12H,8-11,13H2,1H3,(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Rowan University Curated by ChEMBL					Assay Description Antagonist activity at human D3 receptor expressed in CHOK1 cells assessed as inhibition of dopamine-induced beta-arrestin recruitment measured after...				J Med Chem 62: 3722-3740 (2019) Article DOI: 10.1021/acs.jmedchem.9b00231 BindingDB Entry DOI: 10.7270/Q20C505J
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50523487 (CHEMBL4448320) Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ccccn2)c1 Show InChI InChI=1S/C18H22N4O/c1-15-5-4-6-16(13-15)20-18(23)14-21-9-11-22(12-10-21)17-7-2-3-8-19-17/h2-8,13H,9-12,14H2,1H3,(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Rowan University Curated by ChEMBL					Assay Description Antagonist activity at human D3 receptor expressed in CHOK1 cells assessed as inhibition of dopamine-induced beta-arrestin recruitment measured after...				J Med Chem 62: 3722-3740 (2019) Article DOI: 10.1021/acs.jmedchem.9b00231 BindingDB Entry DOI: 10.7270/Q20C505J
					More data for this Ligand-Target Pair