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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 = 50273448   
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))
BDBM50273448
PNG
(6,8-Dimethyl-N-(naphthalen-2-yl)-2-(pyridin-3-yl)q...)
Show SMILES Cc1cc(C)c2nc(cc(C(=O)Nc3ccc4ccccc4c3)c2c1)-c1cccnc1
Show InChI InChI=1S/C27H21N3O/c1-17-12-18(2)26-23(13-17)24(15-25(30-26)21-8-5-11-28-16-21)27(31)29-22-10-9-19-6-3-4-7-20(19)14-22/h3-16H,1-2H3,(H,29,31)
PDB
MMDB

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PC sid
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Similars

Article
PubMed
8.55E+3n/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