BDBM50185504 7-(2-chlorophenyl)-3-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine::CHEMBL377533

SMILES: Cn1ncnc1COc1nn2c(nncc2c1-c1ccccc1F)-c1ccccc1Cl

InChI Key: InChIKey=STGQCZPVHDLHAH-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 = 50185504   

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))	BDBM50185504 (7-(2-chlorophenyl)-3-(2-fluorophenyl)-2-((2-methyl...) Show SMILES Cn1ncnc1COc1nn2c(nncc2c1-c1ccccc1F)-c1ccccc1Cl |(-6.02,-19.33,;-7.55,-19.11,;-8.62,-20.21,;-10,-19.53,;-9.79,-18.01,;-8.26,-17.74,;-7.49,-16.41,;-8.25,-15.07,;-7.48,-13.74,;-5.94,-13.59,;-5.61,-12.08,;-4.27,-11.31,;-4.28,-9.76,;-5.62,-8.99,;-6.94,-9.76,;-6.95,-11.3,;-8.1,-12.33,;-9.43,-11.57,;-9.43,-10.03,;-10.76,-9.26,;-12.1,-10.04,;-12.09,-11.59,;-10.75,-12.35,;-10.74,-13.89,;-2.94,-12.08,;-2.94,-13.62,;-1.61,-14.38,;-.27,-13.61,;-.28,-12.06,;-1.61,-11.3,;-1.62,-9.76,)| Show InChI InChI=1S/C21H15ClFN7O/c1-29-18(24-12-26-29)11-31-21-19(14-7-3-5-9-16(14)23)17-10-25-27-20(30(17)28-21)13-6-2-4-8-15(13)22/h2-10,12H,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	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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