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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50259532'   
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))
BDBM50259532
PNG
(2-{[3,4-Dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1...)
Show SMILES NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1
Show InChI InChI=1S/C17H14N4O3/c18-17(24)12(10-4-2-1-3-5-10)21-14-13(15(22)16(14)23)20-11-6-8-19-9-7-11/h1-9,12,21H,(H2,18,24)(H,19,20)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
BindingDB Entry DOI: 10.7270/Q2WW7HK4
More data for this
Ligand-Target Pair