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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 = 'BDBM50273786'   
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))
BDBM50273786
PNG
(CHEMBL456182 | N-(Naphthalen-2-yl)-2-(pyridin-3-yl...)
Show SMILES O=C(Nc1ccc2ccccc2c1)c1cc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C25H17N3O/c29-25(27-20-12-11-17-6-1-2-7-18(17)14-20)22-15-24(19-8-5-13-26-16-19)28-23-10-4-3-9-21(22)23/h1-16H,(H,27,29)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
1.15E+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