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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 = 50254465   
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))
BDBM50254465
PNG
((+/-)-5-amino-N-(2-((N-ethyl-2-(methylsulfonyl)ben...)
Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C24H25F4N5O5S/c1-3-32(22(35)17-6-4-5-7-19(17)39(2,37)38)14-23(36,24(26,27)28)13-30-21(34)18-12-31-33(20(18)29)16-10-8-15(25)9-11-16/h4-12,36H,3,13-14,29H2,1-2H3,(H,30,34)
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Article
PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a



Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 19: 158-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79
More data for this
Ligand-Target Pair