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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 = 50323095   
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))
BDBM50323095
PNG
((R)-5-(5-(2-(2-(dimethylamino)ethylamino)pyridin-4...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(NCCN(C)C)c1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C30H29F3N6O2S/c1-18(21-6-4-5-7-22(21)30(31,32)33)41-25-16-27(42-28(25)29(34)40)39-17-37-23-14-19(8-9-24(23)39)20-10-11-35-26(15-20)36-12-13-38(2)3/h4-11,14-18H,12-13H2,1-3H3,(H2,34,40)(H,35,36)/t18-/m1/s1
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Similars

Article
PubMed
n/an/a 900n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C9 using 7-methoxy-4-trifluoromethylcoumarin-3-acetic acid as substrate by fluorescence plate reader


Bioorg Med Chem Lett 20: 4587-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.009
BindingDB Entry DOI: 10.7270/Q2MS3SZB
More data for this
Ligand-Target Pair