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 = 'BDBM50185488'   

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))	BDBM50185488 (7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3...) Show SMILES Cn1ncnc1COc1nn2c(nncc2c1-c1ccccc1C(F)(F)F)-c1ccccc1F |(10.14,-16.42,;8.61,-16.2,;7.54,-17.3,;6.16,-16.62,;6.38,-15.1,;7.9,-14.83,;8.68,-13.5,;7.91,-12.16,;8.69,-10.83,;10.22,-10.68,;10.55,-9.17,;11.89,-8.4,;11.89,-6.85,;10.55,-6.08,;9.22,-6.85,;9.22,-8.39,;8.06,-9.42,;6.73,-8.66,;6.73,-7.12,;5.4,-6.36,;4.07,-7.13,;4.08,-8.68,;5.41,-9.44,;5.43,-10.98,;5.42,-12.51,;6.97,-10.97,;3.89,-10.99,;13.23,-9.17,;13.22,-10.71,;14.56,-11.47,;15.89,-10.7,;15.88,-9.15,;14.55,-8.39,;14.54,-6.85,)| Show InChI InChI=1S/C22H15F4N7O/c1-32-18(27-12-29-32)11-34-21-19(13-6-2-4-8-15(13)22(24,25)26)17-10-28-30-20(33(17)31-21)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	>33	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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