Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2' and Ligand = 'BDBM50112231'   

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-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50112231 (3-(4-Methoxy-phenyl)-1-methyl-5-thiophen-2-yl-1H-[...) Show SMILES COc1ccc(cc1)-c1cc(-c2cccs2)c(=O)n(C)c1-c1ccncc1 Show InChI InChI=1S/C22H18N2O2S/c1-24-21(16-9-11-23-12-10-16)18(15-5-7-17(26-2)8-6-15)14-19(22(24)25)20-4-3-13-27-20/h3-14H,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	15	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 Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...				J Med Chem 45: 1887-900 (2002) BindingDB Entry DOI: 10.7270/Q2KP81HZ
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