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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 = 50304959   
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))
BDBM50304959
PNG
((S)-2-chloro-4-((2,5-dichlorobenzyl)(1-propionylpy...)
Show SMILES CCC(=O)N1CC[C@@H](C1)N(Cc1cc(Cl)ccc1Cl)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C21H20Cl3N3O/c1-2-21(28)26-8-7-18(13-26)27(12-15-9-16(22)4-6-19(15)23)17-5-3-14(11-25)20(24)10-17/h3-6,9-10,18H,2,7-8,12-13H2,1H3/t18-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 20: 371-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17
More data for this
Ligand-Target Pair