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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 = 50105820   
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))
BDBM50105820
PNG
(4-Amino-N-benzyl-N-(2-phenyl-2H-pyrazol-3-yl)-benz...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccnn1-c1ccccc1
Show InChI InChI=1S/C22H20N4O2S/c23-19-11-13-21(14-12-19)29(27,28)25(17-18-7-3-1-4-8-18)22-15-16-24-26(22)20-9-5-2-6-10-20/h1-16H,17,23H2
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a 5.50E+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