Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50036562   

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(2) dopamine receptor (BOVINE)	BDBM50060602 (2-[3-((2R,8aS)-1,4-Dioxo-hexahydro-pyrrolo[1,2-a]p...) Show SMILES NC(=O)CN1CCC(N2CC(=O)N3CCC[C@H]3C2=O)C1=O Show InChI InChI=1S/C13H18N4O4/c14-10(18)6-15-5-3-9(12(15)20)17-7-11(19)16-4-1-2-8(16)13(17)21/h8-9H,1-7H2,(H2,14,18)/t8-,9?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibitory constant of compound in presence of Gpp(NH)p calculated for the low affinity components of the [3H]spiroperidol binding to Dopamine recept...				J Med Chem 40: 3594-600 (1997) Article DOI: 10.1021/jm970328b BindingDB Entry DOI: 10.7270/Q2HX1DBD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50060601 ((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibitory constant of compound in presence of Gpp(NH)p calculated for the low affinity components of the [3H]spiroperidol binding to Dopamine recept...				J Med Chem 40: 3594-600 (1997) Article DOI: 10.1021/jm970328b BindingDB Entry DOI: 10.7270/Q2HX1DBD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50060600 ((S)-2-((S)-1,4-Dioxo-hexahydro-pyrrolo[1,2-a]pyraz...) Show SMILES CC(C)C[C@H](N1CC(=O)N2CCC[C@H]2C1=O)C(=O)NCC(N)=O Show InChI InChI=1S/C15H24N4O4/c1-9(2)6-11(14(22)17-7-12(16)20)19-8-13(21)18-5-3-4-10(18)15(19)23/h9-11H,3-8H2,1-2H3,(H2,16,20)(H,17,22)/t10-,11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	172	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibitory constant of compound in presence of Gpp(NH)p calculated for the low affinity components of the [3H]spiroperidol binding to Dopamine recept...				J Med Chem 40: 3594-600 (1997) Article DOI: 10.1021/jm970328b BindingDB Entry DOI: 10.7270/Q2HX1DBD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50060603 ((3S,7aR)-6-((2R,8aS)-1,4-Dioxo-hexahydro-pyrrolo[1...) Show SMILES NC(=O)[C@H]1CS[C@@H]2CC(N3CC(=O)N4CCC[C@H]4C3=O)C(=O)N12 Show InChI InChI=1S/C14H18N4O4S/c15-12(20)9-6-23-11-4-8(14(22)18(9)11)17-5-10(19)16-3-1-2-7(16)13(17)21/h7-9,11H,1-6H2,(H2,15,20)/t7-,8?,9+,11+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	183	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibitory constant of compound in presence of Gpp(NH)p calculated for the low affinity components of the [3H]spiroperidol binding to Dopamine recept...				J Med Chem 40: 3594-600 (1997) Article DOI: 10.1021/jm970328b BindingDB Entry DOI: 10.7270/Q2HX1DBD
					More data for this Ligand-Target Pair