BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Monomerid = 50304963   
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))
BDBM50304963
PNG
(2-chloro-4-((2,5-dichlorobenzyl)((S)-1-((S)-2-hydr...)
Show SMILES C[C@H](O)C(=O)N1CC[C@@H](C1)N(Cc1cc(Cl)ccc1Cl)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C21H20Cl3N3O2/c1-13(28)21(29)26-7-6-18(12-26)27(11-15-8-16(22)3-5-19(15)23)17-4-2-14(10-25)20(24)9-17/h2-5,8-9,13,18,28H,6-7,11-12H2,1H3/t13-,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.90E+3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

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