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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 = 50254702   
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))
BDBM50254702
PNG
(4-cyclopropyl-N-((tetrahydro-2H-pyran-4-yl)methyl)...)
Show SMILES FC(F)(F)Oc1cccc(Nc2cc(C3CC3)c(cn2)C(=O)NCC2CCOCC2)c1
Show InChI InChI=1S/C22H24F3N3O3/c23-22(24,25)31-17-3-1-2-16(10-17)28-20-11-18(15-4-5-15)19(13-26-20)21(29)27-12-14-6-8-30-9-7-14/h1-3,10-11,13-15H,4-9,12H2,(H,26,28)(H,27,29)
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Similars

Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



GlaxoSmithKline PLC

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 19: 259-63 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.118
BindingDB Entry DOI: 10.7270/Q2R78F25
More data for this
Ligand-Target Pair