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SMILES: Cn1ncnc1COc1nn2c(nncc2c1-c1ccccc1F)-[n+]1ccncc1

InChI Key: InChIKey=YCTZWWGYTRDQQM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50185505   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50185505 (3-(2-fluoro-phenyl)-2-(2-methyl-2H-[1,2,4]triazol-...) Show SMILES Cn1ncnc1COc1nn2c(nncc2c1-c1ccccc1F)-[n+]1ccncc1 |(19.11,-18.43,;17.59,-18.21,;16.52,-19.32,;15.14,-18.64,;15.35,-17.11,;16.88,-16.84,;17.65,-15.51,;16.89,-14.18,;17.66,-12.84,;19.2,-12.69,;19.53,-11.18,;20.87,-10.41,;20.86,-8.86,;19.52,-8.09,;18.2,-8.86,;18.19,-10.4,;17.04,-11.43,;15.7,-10.67,;15.71,-9.13,;14.38,-8.37,;13.04,-9.14,;13.05,-10.69,;14.39,-11.45,;14.4,-12.99,;22.2,-11.18,;22.2,-12.72,;23.53,-13.49,;24.87,-12.72,;24.86,-11.17,;23.53,-10.4,)| Show InChI InChI=1S/C19H15FN9O/c1-27-16(22-12-24-27)11-30-18-17(13-4-2-3-5-14(13)20)15-10-23-25-19(29(15)26-18)28-8-6-21-7-9-28/h2-10,12H,11H2,1H3/q+1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.70	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
					More data for this Ligand-Target Pair