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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 = 50256724   
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))
BDBM50256724
PNG
(CHEMBL475794 | N-(5-chloropyridin-3-yl)-5-(3-(2-cy...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1C(=O)Nc1cncc(Cl)c1
Show InChI InChI=1S/C24H21ClN4O2/c1-15-7-8-19(11-21(15)23(31)29-20-10-18(25)12-27-13-20)28-22(30)16-5-4-6-17(9-16)24(2,3)14-26/h4-13H,1-3H3,(H,28,30)(H,29,31)
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Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 19: 1026-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.10.053
BindingDB Entry DOI: 10.7270/Q2222TMP
More data for this
Ligand-Target Pair