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 = 'BDBM50185487'   

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))	BDBM50185487 (3-(2-chlorophenyl)-7-(2-fluorophenyl)-2-((2-methyl...) Show SMILES Cn1ncnc1COc1nn2c(nncc2c1-c1ccccc1Cl)-c1ccccc1F |(24.31,-2.56,;22.84,-2.09,;21.6,-3,;20.35,-2.1,;20.82,-.63,;22.37,-.62,;23.14,.71,;24.68,.7,;25.46,2.04,;26.99,2.19,;27.32,3.7,;28.66,4.47,;28.66,6.02,;27.31,6.79,;25.99,6.01,;25.98,4.48,;24.83,3.45,;23.5,4.21,;23.5,5.75,;22.17,6.51,;20.83,5.74,;20.84,4.19,;22.18,3.43,;22.19,1.89,;30,3.7,;29.99,2.16,;31.33,1.39,;32.66,2.17,;32.65,3.71,;31.32,4.47,;31.31,6.01,)| Show InChI InChI=1S/C21H15ClFN7O/c1-29-18(24-12-26-29)11-31-21-19(13-6-2-4-8-15(13)22)17-10-25-27-20(30(17)28-21)14-7-3-5-9-16(14)23/h2-10,12H,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.70	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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