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 = 'BDBM50162200'   

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))	BDBM50162200 (4-methyl-1,3-thiazol-2-yl[6-phenyl-4,5,7,8-tetraaz...) Show SMILES Cc1csc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)n1 |(-1.26,-7.82,;-.35,-6.56,;1.19,-6.56,;1.66,-5.11,;.42,-4.2,;.42,-2.66,;-.91,-1.9,;-.91,-.36,;.42,.4,;.42,1.95,;1.59,3.01,;.93,4.38,;-.58,4.24,;-.91,2.72,;-2.24,1.94,;-3.59,2.63,;-2.94,1.18,;-4.5,1.18,;-3.57,-.37,;-4.9,.4,;-4.9,1.94,;-2.24,.4,;3.08,2.71,;3.57,1.26,;5.09,.96,;6.07,2.12,;5.6,3.57,;4.08,3.89,;-.83,-5.11,)| Show InChI InChI=1S/C22H21N5OS/c1-13-12-29-17(23-13)11-28-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)16-5-3-2-4-6-16/h2-6,12,14-15H,7-11H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	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 Inhibition of [3H]-Ro-15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells				J Med Chem 48: 1367-83 (2005) Article DOI: 10.1021/jm040883v BindingDB Entry DOI: 10.7270/Q2ZW1KD2
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