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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2E1' and Ligand = 'BDBM50027780'   
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 2E1


(Rattus norvegicus (rat))		BDBM50027780
PNG
(CHEMBL1908229)
Show SMILES CC(OC(C)(C)C)C#C
Show InChI InChI=1S/C8H14O/c1-6-7(2)9-8(3,4)5/h1,7H,2-5H3
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PubMed
 1.00E+5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of rabbit cytochrome P450 CYP2E1 measured by 7-EFC O-deethylation activity

Curr Drug Metab 6: 413-54 (2005)


BindingDB Entry DOI: 10.7270/Q2VQ33X3
More data for this
Ligand-Target Pair