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PubMed code 16697196

Compile data set for download or QSAR
Found 1 hit of Enzyme Inhibition Constant Data   
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))
BDBM50187023
PNG
(3-(2-(2-(4-fluorobenzyloxy)-5-bromophenyl)-5-methy...)
Show SMILES Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2)n1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C25H19BrFNO3/c1-16-5-11-23(28(16)21-4-2-3-18(13-21)25(29)30)22-14-19(26)8-12-24(22)31-15-17-6-9-20(27)10-7-17/h2-14H,15H2,1H3,(H,29,30)
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Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP450 2C9


Bioorg Med Chem Lett 16: 3657-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.073
BindingDB Entry DOI: 10.7270/Q218363N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%