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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 = 50171280   
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))
BDBM50171280
PNG
(4-(5-Chloro-2-hydroxy-phenyl)-3-(2-hydroxy-ethyl)-...)
Show SMILES OCCc1c(-c2cc(Cl)ccc2O)c2cc(ccc2n(Cc2nnn[nH]2)c1=O)C(F)(F)F
Show InChI InChI=1S/C20H15ClF3N5O3/c21-11-2-4-16(31)14(8-11)18-12(5-6-30)19(32)29(9-17-25-27-28-26-17)15-3-1-10(7-13(15)18)20(22,23)24/h1-4,7-8,30-31H,5-6,9H2,(H,25,26,27,28)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition against Cytochrome P450 2C9 prepared from baculovirus-infected insect cells using 7-methoxy-4-trifluoromethylcoumarin


Bioorg Med Chem Lett 15: 4286-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.056
BindingDB Entry DOI: 10.7270/Q2K64HMR
More data for this
Ligand-Target Pair