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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 = 50263402   
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))
BDBM50263402
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(pyridin-4-yl)methylami...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1ccncc1
Show InChI InChI=1S/C21H18FN3O2/c22-18-8-6-17(7-9-18)21(27)24-14-19(26)25-20(15-4-2-1-3-5-15)16-10-12-23-13-11-16/h1-13,20H,14H2,(H,24,27)(H,25,26)
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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair