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 = 'BDBM50149427'   

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))	BDBM50149427 (2-methyl-4-[9-(6-methyl-2-pyridylmethoxy)-4,5,7,8-...) Show SMILES Cc1nc(co1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12 |(5.16,.46,;4.14,1.6,;2.61,1.44,;1.98,2.85,;3.13,3.89,;4.46,3.1,;.49,3.17,;-.16,4.59,;-1.7,4.43,;-2.02,2.91,;-3.35,2.12,;-4.68,2.89,;-5.2,1.68,;-4.39,.88,;-4.68,-.21,;-6.01,.56,;-6.01,2.1,;-3.34,.55,;-2,-.21,;-2,-1.73,;-.65,-2.5,;-.65,-4.04,;-1.98,-4.81,;-1.98,-6.35,;-.65,-7.12,;.68,-6.35,;2.03,-7.1,;.68,-4.81,;-.65,.58,;-.67,2.12,)| Show InChI InChI=1S/C22H22N6O2/c1-12-4-3-5-16(23-12)10-30-22-19-15-8-6-14(7-9-15)18(19)21-26-25-20(28(21)27-22)17-11-29-13(2)24-17/h3-5,11,14-15H,6-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.80	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 towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
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