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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50277754'   
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))
BDBM50277754
PNG
(2-(3-(7-hydroxy-4,5-dihydronaphtho[2,1-d]isoxazol-...)
Show SMILES OC(=O)C1=C(CCC1)NC(=O)CCc1noc-2c1CCc1cc(O)ccc-21 |t:3|
Show InChI InChI=1S/C20H20N2O5/c23-12-5-7-13-11(10-12)4-6-14-17(22-27-19(13)14)8-9-18(24)21-16-3-1-2-15(16)20(25)26/h5,7,10,23H,1-4,6,8-9H2,(H,21,24)(H,25,26)
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Article
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n/an/a 4.70E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using diclofenac substrate


J Med Chem 52: 2587-602 (2009)


Article DOI: 10.1021/jm900151e
BindingDB Entry DOI: 10.7270/Q2RJ4JDG
More data for this
Ligand-Target Pair