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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 = 'BDBM50273447'   
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))
BDBM50273447
PNG
(6,8-Dimethyl-N-(naphthalen-2-yl)-2-(pyridin-4-yl)q...)
Show SMILES Cc1cc(C)c2nc(cc(C(=O)Nc3ccc4ccccc4c3)c2c1)-c1ccncc1
Show InChI InChI=1S/C27H21N3O/c1-17-13-18(2)26-23(14-17)24(16-25(30-26)20-9-11-28-12-10-20)27(31)29-22-8-7-19-5-3-4-6-21(19)15-22/h3-16H,1-2H3,(H,29,31)
PDB
MMDB

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Article
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11n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin)


J Med Chem 51: 8000-11 (2008)


Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ
More data for this
Ligand-Target Pair