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 = 'BDBM50143089'   

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))	BDBM50143089 (6-(5-Methyl-pyridin-2-ylmethoxy)-3-phenyl-[1,2,4]t...) Show SMILES Cc1ccc(COc2nn3c(nnc3c3ccccc23)-c2ccccc2)nc1 Show InChI InChI=1S/C22H17N5O/c1-15-11-12-17(23-13-15)14-28-22-19-10-6-5-9-18(19)21-25-24-20(27(21)26-22)16-7-3-2-4-8-16/h2-13H,14H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	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 Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells				J Med Chem 47: 1807-22 (2004) Article DOI: 10.1021/jm031020p BindingDB Entry DOI: 10.7270/Q2959H0R
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