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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C8' and Ligand = 'BDBM50384469'   
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 2C8


(Homo sapiens (Human))
BDBM50384469
PNG
(CHEMBL2036017)
Show SMILES CCCCC(=O)N(Cc1ccc(OC)cc1)c1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C20H23N5O2/c1-3-4-8-19(26)25(14-15-9-11-18(27-2)12-10-15)17-7-5-6-16(13-17)20-21-23-24-22-20/h5-7,9-13H,3-4,8,14H2,1-2H3,(H,21,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 320n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C8 incubated for 15 mins prior to substrate addition measured after 30 mins by spectrophotometry


ACS Med Chem Lett 2: 938-942 (2011)


Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ
More data for this
Ligand-Target Pair