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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Monomerid = 50224103   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50224103
PNG
(CHEMBL440055 | ethyl 4-(5-p-tolyl-3-(trifluorometh...)
Show SMILES CCOC(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C(F)(F)F
Show InChI InChI=1S/C20H17F3N2O2/c1-3-27-19(26)15-8-10-16(11-9-15)25-17(12-18(24-25)20(21,22)23)14-6-4-13(2)5-7-14/h4-12H,3H2,1-2H3
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2C9 by fluorescence inhibition assay


J Med Chem 50: 5382-91 (2007)


Article DOI: 10.1021/jm070745g
BindingDB Entry DOI: 10.7270/Q2TB16MF
More data for this
Ligand-Target Pair