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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 = 'BDBM50224110'   
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))
BDBM50224110
PNG
(1-(4-(methylsulfinyl)phenyl)-5-p-tolyl-3-(trifluor...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(C)=O)C(F)(F)F
Show InChI InChI=1S/C18H15F3N2OS/c1-12-3-5-13(6-4-12)16-11-17(18(19,20)21)22-23(16)14-7-9-15(10-8-14)25(2)24/h3-11H,1-2H3
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2C9 by fluorescence inhibition assay


J Med Chem 50: 5382-91 (2007)


Article DOI: 10.1021/jm070745g
BindingDB Entry DOI: 10.7270/Q2TB16MF
More data for this
Ligand-Target Pair