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 = 'BDBM50185335'   

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))	BDBM50185335 (5-[3-(3,5-difluoropyridin-2-yl)-4-fluorophenyl]-3-...) Show SMILES Fc1cnc(c(F)c1)-c1cc(ccc1F)-c1cnnc(c1)-c1ncccc1F Show InChI InChI=1S/C20H10F4N4/c21-13-8-17(24)19(26-10-13)14-6-11(3-4-15(14)22)12-7-18(28-27-9-12)20-16(23)2-1-5-25-20/h1-10H	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	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 Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha1 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
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