Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50008529   

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 (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	73.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibitor constant of compound for low affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in absence of G...				J Med Chem 42: 628-37 (1999) Article DOI: 10.1021/jm980525q BindingDB Entry DOI: 10.7270/Q27080MW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50074093 ((2R,3'S,8a'R)-5'-oxo-1-((S)-pyrrolidine-2-carbonyl...) Show SMILES NC(=O)[C@H]1CS[C@@H]2CC[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N12 |r| Show InChI InChI=1S/C16H24N4O3S/c17-13(21)11-9-24-12-4-6-16(15(23)20(11)12)5-2-8-19(16)14(22)10-3-1-7-18-10/h10-12,18H,1-9H2,(H2,17,21)/t10-,11+,12+,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibitor constant of compound for low affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in absence of G...				J Med Chem 42: 628-37 (1999) Article DOI: 10.1021/jm980525q BindingDB Entry DOI: 10.7270/Q27080MW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50074092 (6'-oxo-1-[(2S)-tetrahydro-1H-2-pyrrolylcarbonyl]-(...) Show SMILES NC(=O)C1CCS[C@@H]2C[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N12 Show InChI InChI=1S/C16H24N4O3S/c17-13(21)11-4-8-24-12-9-16(15(23)20(11)12)5-2-7-19(16)14(22)10-3-1-6-18-10/h10-12,18H,1-9H2,(H2,17,21)/t10-,11?,12+,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	196	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibitor constant of compound for low affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in absence of G...				J Med Chem 42: 628-37 (1999) Article DOI: 10.1021/jm980525q BindingDB Entry DOI: 10.7270/Q27080MW
					More data for this Ligand-Target Pair