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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 = 50105824   
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))
BDBM50105824
PNG
(4,N-Dimethyl-N-(2-phenyl-2H-pyrazol-3-yl)-benzenes...)
Show SMILES CN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H17N3O2S/c1-14-8-10-16(11-9-14)23(21,22)19(2)17-12-13-18-20(17)15-6-4-3-5-7-15/h3-13H,1-2H3
PDB
MMDB

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Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Université Paris V

Curated by ChEMBL


Assay Description
Inhibitory effect on human recombinant liver cytochrome P450 2C9 expressed in yeast strain


J Med Chem 44: 3622-31 (2001)


Article DOI: 10.1021/jm010861y
BindingDB Entry DOI: 10.7270/Q20Z72KC
More data for this
Ligand-Target Pair