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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 = 50211859   
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))
BDBM50211859
PNG
(2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...)
Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCCC1
Show InChI InChI=1S/C18H18ClF3N4O/c19-12-6-3-7-13(8-12)25-17-24-10-14(15(26-17)18(20,21)22)16(27)23-9-11-4-1-2-5-11/h3,6-8,10-11H,1-2,4-5,9H2,(H,23,27)(H,24,25,26)
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Similars

Article
PubMed
n/an/a 6.00E+3n/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