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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 = 'BDBM50172465'   
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))
BDBM50172465
PNG
(1-(4,2',2''-Trifluoro-[1,1';4',1'']terphenyl-4''-y...)
Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(c(F)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H15F3O2/c23-16-5-1-13(2-6-16)17-7-3-14(11-19(17)24)18-8-4-15(12-20(18)25)22(9-10-22)21(26)27/h1-8,11-12H,9-10H2,(H,26,27)
PDB
MMDB

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PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Interaction with human cytochrome P450 isoform 2C9 expressed in baculovirus-insect cells


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair