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 = 'BDBM400242'   

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))	BDBM400242 (N-(6-(1H-Imidazol-1-yl)pyridin-3-yl)-3-(cyclopropy...) Show SMILES Cc1cc(Nc2ccc(nc2)-n2ccnc2)nc2n(CC3CC3)cnc12 Show InChI InChI=1S/C19H19N7/c1-13-8-16(24-19-18(13)22-12-26(19)10-14-2-3-14)23-15-4-5-17(21-9-15)25-7-6-20-11-25/h4-9,11-12,14H,2-3,10H2,1H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127536 BindingDB Entry DOI: 10.7270/Q2MW2MSP
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