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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 = 50315024   
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))
BDBM50315024
PNG
((R)-N-(2-(1-(2-(1-benzoylpiperidin-4-yl)ethyl)pyrr...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCC2CCN(CC2)C(=O)c2ccccc2)C1
Show InChI InChI=1S/C28H33F3N4O3/c29-28(30,31)23-8-4-7-22(17-23)26(37)32-18-25(36)33-24-12-14-34(19-24)13-9-20-10-15-35(16-11-20)27(38)21-5-2-1-3-6-21/h1-8,17,20,24H,9-16,18-19H2,(H,32,37)(H,33,36)/t24-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Yangji Chemicals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C9 by P450-Glo method


Bioorg Med Chem Lett 20: 2099-102 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.072
BindingDB Entry DOI: 10.7270/Q2JQ1169
More data for this
Ligand-Target Pair