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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 = 50269081   
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))
BDBM50269081
PNG
(1-(8-(2,6-dimethylbenzyloxy)-2,3-dimethylimidazo[1...)
Show SMILES Cc1nc2c(OCc3c(C)cccc3C)cc(cn2c1C)-n1ccccc1=O
Show InChI InChI=1S/C23H23N3O2/c1-15-8-7-9-16(2)20(15)14-28-21-12-19(25-11-6-5-10-22(25)27)13-26-18(4)17(3)24-23(21)26/h5-13H,14H2,1-4H3
PDB
MMDB

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Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 19: 3602-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.127
BindingDB Entry DOI: 10.7270/Q2RX9BZV
More data for this
Ligand-Target Pair