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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 = 'BDBM50088506'   
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))		BDBM50088506
PNG
(CHEMBL3542249)
Show SMILES CC(C)CC(NC(=O)C(CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)C1(C)CO1
Show InChI InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)
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PC cid
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Onyx Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate after 5 mins by LC-MS/MS analysis

Drug Metab Dispos 41: 230-7 (2012)


Article DOI: 10.1124/dmd.112.047662
BindingDB Entry DOI: 10.7270/Q2KK9DHV
More data for this
Ligand-Target Pair