Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2' and Ligand = 'BDBM50182468'   

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
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50182468 (4,6,2'-Trifluoro-5'-[3-(1-hydroxy-1-methyl-ethyl)-...) Show SMILES CC(C)(O)c1cnn2c(cnc2n1)-c1ccc(F)c(c1)-c1c(F)cc(F)cc1C#N |(2.53,2.37,;3.87,1.59,;3.1,.25,;4.63,2.93,;5.21,.82,;5.21,-.72,;6.56,-1.49,;7.88,-.72,;9.34,-1.19,;10.25,.05,;9.35,1.3,;7.88,.82,;6.55,1.59,;9.75,-2.68,;8.67,-3.78,;9.07,-5.25,;10.56,-5.64,;10.96,-7.13,;11.65,-4.56,;11.23,-3.07,;13.13,-4.94,;13.54,-6.42,;12.46,-7.51,;15.03,-6.8,;16.11,-5.71,;17.63,-6.09,;15.69,-4.23,;14.22,-3.84,;13.82,-2.34,;13.42,-.84,)| Show InChI InChI=1S/C21H14F3N5O/c1-21(2,30)18-10-27-29-17(9-26-20(29)28-18)11-3-4-15(23)14(6-11)19-12(8-25)5-13(22)7-16(19)24/h3-7,9-10,30H,1-2H3	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]Ro 15-1788 from recombinant human GABAA alpha1 receptor plus beta3gamma2 expressed in L(tk-) cells				J Med Chem 49: 1235-8 (2006) Article DOI: 10.1021/jm051200u BindingDB Entry DOI: 10.7270/Q2H41R04
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