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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 = 50315022   
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))
BDBM50315022
PNG
((R)-N-(2-(1-(2-(4-(2-fluorobenzoyl)piperazin-1-yl)...)
Show SMILES Fc1ccccc1C(=O)N1CCN(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C27H31F4N5O3/c28-23-7-2-1-6-22(23)26(39)36-14-12-34(13-15-36)10-11-35-9-8-21(18-35)33-24(37)17-32-25(38)19-4-3-5-20(16-19)27(29,30)31/h1-7,16,21H,8-15,17-18H2,(H,32,38)(H,33,37)/t21-/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