BDBM50185489 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)benzenamine::CHEMBL379788

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

InChI Key: InChIKey=BJWCHPTVHBYZPV-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 = 50185489   

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))	BDBM50185489 (3-(7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazo...) Show SMILES Cn1ncnc1COc1nn2c(nncc2c1-c1cccc(N)c1)-c1ccccc1F Show InChI InChI=1S/C21H17FN8O/c1-29-18(24-12-26-29)11-31-21-19(13-5-4-6-14(23)9-13)17-10-25-27-20(30(17)28-21)15-7-2-3-8-16(15)22/h2-10,12H,11,23H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	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