Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'GABA-A receptor; alpha-2/beta-3/gamma-2' and Ligand = 'BDBM50185333'   

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
GABA-A receptor; alpha-2/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185333 (5-[3-(3,5-difluoropyridin-2-yl)-4-fluorophenyl]-3-...) Show SMILES Fc1cnc(c(F)c1)-c1cc(ccc1F)-c1cnnc(c1)-c1c(F)cc(F)cc1F Show InChI InChI=1S/C21H9F6N3/c22-12-5-16(25)20(17(26)6-12)19-4-11(8-29-30-19)10-1-2-15(24)14(3-10)21-18(27)7-13(23)9-28-21/h1-9H	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60	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-Aalpha2 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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