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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 = 50314822   
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))
BDBM50314822
PNG
(2-((3-((2-(4-methoxyphenyl)-5-methyloxazol-4-yl)me...)
Show SMILES COc1ccc(cc1)-c1nc(COc2cccc(CN(CC(O)=O)C(=O)Oc3ccc(C)cc3)c2)c(C)o1
Show InChI InChI=1S/C29H28N2O7/c1-19-7-11-24(12-8-19)38-29(34)31(17-27(32)33)16-21-5-4-6-25(15-21)36-18-26-20(2)37-28(30-26)22-9-13-23(35-3)14-10-22/h4-15H,16-18H2,1-3H3,(H,32,33)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair