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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 = 50209390   
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))
BDBM50209390
PNG
(2-(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-2-ox...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C(=O)NC1CCCCC1
Show InChI InChI=1S/C28H30ClN5O3/c1-16-12-18(27(36)32-20-8-3-2-4-9-20)14-22-25(16)34-26(33-22)24-21(10-11-30-28(24)37)31-15-23(35)17-6-5-7-19(29)13-17/h5-7,10-14,20,23,35H,2-4,8-9,15H2,1H3,(H,32,36)(H,33,34)(H2,30,31,37)
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Article
PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in microsomes


Bioorg Med Chem Lett 17: 3072-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.048
BindingDB Entry DOI: 10.7270/Q2F76C71
More data for this
Ligand-Target Pair