BDBM50185493 3-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-7-(2,4,6-trifluorophenyl)pyrazolo[1,5-d][1,2,4]triazine::CHEMBL208863

SMILES: Cn1ncnc1COc1nn2c(nncc2c1-c1ccccc1F)-c1c(F)cc(F)cc1F

InChI Key: InChIKey=IGTNDWINIZAURX-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50185493   

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
GABA receptor alpha-3/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50185493 (3-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3...) Show SMILES Cn1ncnc1COc1nn2c(nncc2c1-c1ccccc1F)-c1c(F)cc(F)cc1F |(27.05,-5.08,;25.52,-4.86,;24.45,-5.97,;23.07,-5.29,;23.28,-3.76,;24.81,-3.49,;25.58,-2.16,;24.82,-.83,;25.59,.5,;27.13,.66,;27.46,2.17,;28.8,2.94,;28.79,4.49,;27.45,5.25,;26.13,4.48,;26.12,2.94,;24.97,1.92,;23.64,2.68,;23.64,4.22,;22.31,4.98,;20.97,4.21,;20.98,2.66,;22.32,1.9,;22.33,.36,;30.13,2.17,;31.46,2.94,;31.45,4.48,;32.79,2.18,;32.8,.63,;34.13,-.13,;31.46,-.14,;30.13,.63,;28.8,-.14,)| Show InChI InChI=1S/C21H13F4N7O/c1-31-17(26-10-28-31)9-33-21-18(12-4-2-3-5-13(12)23)16-8-27-29-20(32(16)30-21)19-14(24)6-11(22)7-15(19)25/h2-8,10H,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	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