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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 = 50313248   
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))
BDBM50313248
PNG
(CHEMBL1086754 | N-(3-(4-(2,3-Dichlorophenyl)pipera...)
Show SMILES Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C26H30Cl2N4O/c1-19-21(18-24(30(19)2)20-8-4-3-5-9-20)26(33)29-12-7-13-31-14-16-32(17-15-31)23-11-6-10-22(27)25(23)28/h3-6,8-11,18H,7,12-17H2,1-2H3,(H,29,33)
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Similars

Article
PubMed
n/an/a 9.70E+3n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 20: 1705-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.093
BindingDB Entry DOI: 10.7270/Q2SN093C
More data for this
Ligand-Target Pair