Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2' and Ligand = 'BDBM50112216'   

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
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50112216 (3-(4-Methoxy-phenyl)-1-methyl-5-(5-methyl-[1,2,4]o...) Show SMILES COc1ccc(cc1)-c1cc(-c2noc(C)n2)c(=O)n(C)c1-c1ccncc1 Show InChI InChI=1S/C21H18N4O3/c1-13-23-20(24-28-13)18-12-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-10-22-11-9-15/h4-12H,1-3H3	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro-15-1788 binding to human GABA A receptor (alpha1-beta3-gamma2) stably expressed in L(tk-) cells.				J Med Chem 45: 1887-900 (2002) BindingDB Entry DOI: 10.7270/Q2KP81HZ
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