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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 = 50211849   
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))
BDBM50211849
PNG
(2-(3,5-dichlorophenylamino)-4-trifluoromethylpyrim...)
Show SMILES FC(F)(F)c1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NCC1CCOCC1
Show InChI InChI=1S/C18H17Cl2F3N4O2/c19-11-5-12(20)7-13(6-11)26-17-25-9-14(15(27-17)18(21,22)23)16(28)24-8-10-1-3-29-4-2-10/h5-7,9-10H,1-4,8H2,(H,24,28)(H,25,26,27)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9


J Med Chem 50: 2597-600 (2007)


Article DOI: 10.1021/jm061195+
BindingDB Entry DOI: 10.7270/Q2W095M7
More data for this
Ligand-Target Pair