BDBM50185509 3-(7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazin-3-yl)benzonitrile::CHEMBL208687

SMILES: Cn1ncnc1COc1nn2c(nncc2c1-c1cccc(c1)C#N)-c1ccccc1F

InChI Key: InChIKey=JJGMNYOOQJMINL-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 = 50185509   

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))	BDBM50185509 (3-(7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazo...) Show SMILES Cn1ncnc1COc1nn2c(nncc2c1-c1cccc(c1)C#N)-c1ccccc1F Show InChI InChI=1S/C22H15FN8O/c1-30-19(25-13-27-30)12-32-22-20(15-6-4-5-14(9-15)10-24)18-11-26-28-21(31(18)29-22)16-7-2-3-8-17(16)23/h2-9,11,13H,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	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
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