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 = 'BDBM400240'   

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))	BDBM400240 (7-((1-(Cyclopropylmethyl)-5-fluoro-4-methyl-1H-ben...) Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC5)cnc4c(C)c3F)cnc12 Show InChI InChI=1S/C20H20FN5O2/c1-11-18(21)14(6-15-19(11)23-10-26(15)8-12-3-4-12)24-13-5-16-20(22-7-13)25(2)17(27)9-28-16/h5-7,10,12,24H,3-4,8-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	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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