Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'GABA-A receptor; alpha-5/beta-3/gamma-2' and Ligand = 'BDBM50179926'   

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-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50179926 (2-(2-fluoro-5-(7-(2-hydroxypropan-2-yl)imidazo[1,2...) Show SMILES CC(C)(O)c1ccn2c(cnc2n1)-c1ccc(F)c(c1)-c1ncccc1C#N Show InChI InChI=1S/C21H16FN5O/c1-21(2,28)18-7-9-27-17(12-25-20(27)26-18)13-5-6-16(22)15(10-13)19-14(11-23)4-3-8-24-19/h3-10,12,28H,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro 15-1788 from recombinant human GABA-Aalpha5 receptor plus beta3gamma2 expressed in L(tk-) cells				Bioorg Med Chem Lett 16: 1477-80 (2006) Article DOI: 10.1016/j.bmcl.2005.12.044 BindingDB Entry DOI: 10.7270/Q2NC60SW
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