BDBM50185519 3-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-7-(pyridin-3-yl)pyrazolo[1,5-d][1,2,4]triazine::CHEMBL210400

SMILES: Cn1ncnc1COc1nn2c(nncc2c1-c1ccccc1F)-c1cccnc1

InChI Key: InChIKey=LYXHWNNDUVMWRX-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 = 50185519   

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))	BDBM50185519 (3-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3...) Show SMILES Cn1ncnc1COc1nn2c(nncc2c1-c1ccccc1F)-c1cccnc1 |(6.61,-18.95,;5.09,-18.73,;4.02,-19.84,;2.63,-19.16,;2.85,-17.63,;4.38,-17.36,;5.15,-16.03,;4.39,-14.7,;5.16,-13.37,;6.7,-13.21,;7.02,-11.7,;8.37,-10.93,;8.36,-9.38,;7.02,-8.62,;5.7,-9.39,;5.69,-10.92,;4.54,-11.95,;3.2,-11.19,;3.21,-9.65,;1.87,-8.89,;.54,-9.66,;.55,-11.21,;1.89,-11.97,;1.9,-13.51,;9.7,-11.7,;9.7,-13.24,;11.03,-14.01,;12.37,-13.24,;12.36,-11.69,;11.03,-10.93,)| Show InChI InChI=1S/C20H15FN8O/c1-28-17(23-12-25-28)11-30-20-18(14-6-2-3-7-15(14)21)16-10-24-26-19(29(16)27-20)13-5-4-8-22-9-13/h2-10,12H,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	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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