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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 = 21166   
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))
BDBM21166
PNG
(1-{[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-...)
Show SMILES CCC1COC(Cn2cncn2)(O1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C14H15Cl2N3O2/c1-2-11-6-20-14(21-11,7-19-9-17-8-18-19)12-4-3-10(15)5-13(12)16/h3-5,8-9,11H,2,6-7H2,1H3
PDB
MMDB

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Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



AstraZeneca



Assay Description
The inhibition of recombinant human CYP2C9 was measured as the ability to perform a demethylation of 7-methoxy-4-trifluoromethylcoumarin (MFC). Befor...


J Med Chem 51: 1755-1763 (2008)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q20Z71KZ
More data for this
Ligand-Target Pair