Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2' and Ligand = 'BDBM50185523'   

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-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185523 (3-(2,6-difluorophenyl)-7-(2-fluorophenyl)-2-((2-me...) Show SMILES Cn1ncnc1COc1nn2c(nncc2c1-c1c(F)cccc1F)-c1ccccc1F |(28.95,-3.55,;27.42,-3.33,;26.35,-4.44,;24.97,-3.76,;25.18,-2.23,;26.71,-1.96,;27.48,-.63,;26.72,.7,;27.49,2.04,;29.03,2.19,;29.36,3.7,;30.7,4.47,;30.69,6.02,;29.35,6.79,;28.03,6.02,;28.02,4.48,;26.87,3.45,;25.54,4.21,;24.22,3.43,;24.23,1.89,;22.88,4.19,;22.87,5.74,;24.21,6.51,;25.54,5.75,;26.87,6.52,;32.03,3.7,;32.03,2.16,;33.36,1.39,;34.7,2.17,;34.69,3.71,;33.36,4.48,;33.35,6.02,)| Show InChI InChI=1S/C21H14F3N7O/c1-30-17(25-11-27-30)10-32-21-19(18-14(23)7-4-8-15(18)24)16-9-26-28-20(31(16)29-21)12-5-2-3-6-13(12)22/h2-9,11H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.550	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 Inhibition of [3H]Ro15-1788 binding to human recombinant GABA-Aalpha3 plus beta3gamma2 receptor expressed in L(tk-) cells				Bioorg Med Chem Lett 16: 3550-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.081 BindingDB Entry DOI: 10.7270/Q21J99CH
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