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 = 'BDBM50185516'   

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))	BDBM50185516 (7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3...) Show SMILES Cc1ccccc1-c1c(OCc2ncnn2C)nn2c(nncc12)-c1ccccc1F |(-10.21,-12.07,;-10.22,-10.53,;-11.56,-9.77,;-11.57,-8.23,;-10.23,-7.45,;-8.9,-8.22,;-8.9,-9.75,;-7.57,-10.52,;-6.95,-11.93,;-7.72,-13.26,;-9.26,-13.25,;-10.04,-14.58,;-11.58,-14.6,;-12.05,-16.06,;-10.8,-16.96,;-9.56,-16.05,;-8.09,-16.52,;-5.41,-11.77,;-5.08,-10.26,;-3.74,-9.49,;-3.75,-7.94,;-5.09,-7.18,;-6.41,-7.95,;-6.42,-9.49,;-2.41,-10.26,;-2.41,-11.8,;-1.08,-12.57,;.26,-11.8,;.25,-10.25,;-1.08,-9.49,;-1.09,-7.95,)| Show InChI InChI=1S/C22H18FN7O/c1-14-7-3-4-8-15(14)20-18-11-25-27-21(16-9-5-6-10-17(16)23)30(18)28-22(20)31-12-19-24-13-26-29(19)2/h3-11,13H,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	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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