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BDBM50185490 3,7-bis(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine::CHEMBL210510

SMILES: Cn1ncnc1COc1nn2c(nncc2c1-c1ccccc1F)-c1ccccc1F

InChI Key: InChIKey=UZSODGXWZNTIPF-UHFFFAOYSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50185490   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50185490
PNG
(3,7-bis(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-tria...)
Show SMILES Cn1ncnc1COc1nn2c(nncc2c1-c1ccccc1F)-c1ccccc1F |(7.39,-3.46,;5.93,-2.98,;4.69,-3.9,;3.44,-3,;3.9,-1.53,;5.45,-1.52,;6.23,-.19,;7.77,-.19,;8.54,1.14,;10.08,1.29,;10.4,2.8,;11.75,3.57,;11.74,5.12,;10.4,5.89,;9.07,5.12,;9.07,3.58,;7.92,2.55,;6.58,3.31,;6.59,4.85,;5.25,5.61,;3.92,4.84,;3.93,3.29,;5.27,2.53,;5.28,.99,;13.08,2.8,;13.08,1.26,;14.41,.5,;15.75,1.27,;15.74,2.81,;14.41,3.58,;14.4,5.12,)|
Show InChI InChI=1S/C21H15F2N7O/c1-29-18(24-12-26-29)11-31-21-19(13-6-2-4-8-15(13)22)17-10-25-27-20(30(17)28-21)14-7-3-5-9-16(14)23/h2-10,12H,11H2,1H3
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.450n/an/an/an/an/an/an/an/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