BDBM50185516 7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-o-tolylpyrazolo[1,5-d][1,2,4]triazine::CHEMBL378216

SMILES: Cc1ccccc1-c1c(OCc2ncnn2C)nn2c(nncc12)-c1ccccc1F

InChI Key: InChIKey=NLWOVFYGWVOAAG-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 = 50185516   

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))	BDBM50185516 (7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3...) Show SMILES Cc1ccccc1-c1c(OCc2ncnn2C)nn2c(nncc12)-c1ccccc1F |(-10.21,-12.07,;-10.22,-10.53,;-11.56,-9.77,;-11.57,-8.23,;-10.23,-7.45,;-8.9,-8.22,;-8.9,-9.75,;-7.57,-10.52,;-6.95,-11.93,;-7.72,-13.26,;-9.26,-13.25,;-10.04,-14.58,;-11.58,-14.6,;-12.05,-16.06,;-10.8,-16.96,;-9.56,-16.05,;-8.09,-16.52,;-5.41,-11.77,;-5.08,-10.26,;-3.74,-9.49,;-3.75,-7.94,;-5.09,-7.18,;-6.41,-7.95,;-6.42,-9.49,;-2.41,-10.26,;-2.41,-11.8,;-1.08,-12.57,;.26,-11.8,;.25,-10.25,;-1.08,-9.49,;-1.09,-7.95,)| Show InChI InChI=1S/C22H18FN7O/c1-14-7-3-4-8-15(14)20-18-11-25-27-21(16-9-5-6-10-17(16)23)30(18)28-22(20)31-12-19-24-13-26-29(19)2/h3-11,13H,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	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