Compile Data Set for Download or QSAR
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Found 186 Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2E1'
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50240850((2-Isothiocyanato-ethyl)-benzene | CHEMBL151649 | ...)
Affinity DataKi:  9.98E+3nMAssay Description:Mechanism based inhibition of human cytochrome P450 2E1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50240850((2-Isothiocyanato-ethyl)-benzene | CHEMBL151649 | ...)
Affinity DataKi:  1.10E+4nMAssay Description:Inhibition of human CYP2E1 expressed in Escherichia coli MV1304 assessed as reduction in 7-EFC O-de-ethylation activity by spectrofluorometry based d...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50088490(CHEMBL3526979)
Affinity DataKi: >3.00E+4nMAssay Description:Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate after 5 to 30 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50363928(CHEMBL1951575)
Affinity DataKi: >3.00E+4nMAssay Description:Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate after 5 to 30 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50310823(CHEMBL1078442 | bergamottin)
Affinity DataKi:  4.00E+4nMAssay Description:Mechanism based inhibition of human cytochrome P450 2E1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Rattus norvegicus (rat))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50027780(CHEMBL1908229)
Affinity DataKi:  1.00E+5nMAssay Description:Mechanism based inhibition of rabbit cytochrome P450 CYP2E1 measured by 7-EFC O-deethylation activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Rattus norvegicus (rat))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50027781(Diallylsulfone)
Affinity DataKi:  1.88E+5nMAssay Description:Mechanism based inhibition of rat cytochrome P450 CYP2E1 measured by P-nitrophenol (PNP) hydroxylase activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Rattus norvegicus (rat))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50592756(CHEMBL5182450)
Affinity DataKi:  1.96E+5nMAssay Description:Inhibition of CYP2E1 in rat liver microsomes using chlorzoxazone as substrateMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 2E1(Rattus norvegicus (rat))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50027798(CHEMBL1908221)
Affinity DataKi:  1.00E+6nMAssay Description:Mechanism based inhibition of rabbit cytochrome P450 CYP2E1 measured by 7-EFC O-deethylation activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50088436(BS-749 | CHEBI:76987 | Metacetamol)
Affinity DataKi:  9.50E+6nMAssay Description:Inhibition of human CYP2E1 assessed as chlorzoxazone 6-hydroxylase activity by HPLC analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50366426(CHEMBL4161819)
Affinity DataIC50:  230nMAssay Description:Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate preincubated for 5 mins followed by addition of NADPH-regenerating sy...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50158914(3-(1-Benzyl-1H-imidazol-4-yl)-pyridine | CHEMBL178...)
Affinity DataIC50:  580nMAssay Description:Inhibitory concentration value against human cytochrome P-450 2E1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50110231(3-(3-Nitro-phenyl)-3-{2-[4-(pyridin-2-ylamino)-but...)
Affinity DataIC50:  850nMAssay Description:The interaction of SC12 with cytochrome P450 enzymes was tested using Fluorescent High Throughput P450 assays (Gentest); The IC50s of the compounds w...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50010231(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Affinity DataIC50:  850nMT: 2°CAssay Description:The interaction of SC12 with cytochrome P450 enzymes was tested using Fluorescent High Throughput P450 assays (Gentest); The IC50s of the compounds w...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50158925(Bis-(5-pyridin-3-yl-thiophen-2-ylmethyl)-amine | C...)
Affinity DataIC50:  860nMAssay Description:Inhibitory concentration value against human cytochrome P-450 2E1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50366334(CHEMBL4173133)
Affinity DataIC50:  920nMAssay Description:Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate preincubated for 5 mins followed by addition of NADPH-regenerating sy...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50366407(CHEMBL4169324)
Affinity DataIC50:  1.30E+3nMAssay Description:Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate preincubated for 5 mins followed by addition of NADPH-regenerating sy...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50366379(CHEMBL4165249)
Affinity DataIC50:  1.50E+3nMAssay Description:Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate preincubated for 5 mins followed by addition of NADPH-regenerating sy...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50366410(CHEMBL4163694)
Affinity DataIC50:  1.90E+3nMAssay Description:Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate preincubated for 5 mins followed by addition of NADPH-regenerating sy...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50366401(CHEMBL4169721)
Affinity DataIC50:  1.90E+3nMAssay Description:Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate preincubated for 5 mins followed by addition of NADPH-regenerating sy...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50366393(CHEMBL4176100)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate preincubated for 5 mins followed by addition of NADPH-regenerating sy...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50366399(CHEMBL4168669)
Affinity DataIC50:  3.10E+3nMAssay Description:Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate preincubated for 5 mins followed by addition of NADPH-regenerating sy...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Rattus norvegicus (rat))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50183063((2R,4R)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...)
Affinity DataIC50:  3.60E+3nMAssay Description:Inhibition of rat liver CYP2E1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Rattus norvegicus (rat))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM31682(imidazole-dioxolane, 32)
Affinity DataIC50:  3.60E+3nMpH: 7.4Assay Description:CYP2E1 hydroxylation of p-nitrophenol was determined by the spectrophotometric measurement of 4-nitrocatechol. Briefly, reaction mixture consisting o...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM12352(3-(1-methyl-1H-imidazol-4-yl)pyridine | CHEMBL3609...)
Affinity DataIC50:  4.10E+3nMAssay Description:Inhibitory concentration value against human cytochrome P-450 2E1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50158920(3-(3-Methyl-1H-imidazol-4-yl)-pyridine | CHEMBL179...)
Affinity DataIC50:  4.10E+3nMAssay Description:Inhibitory concentration value against human cytochrome P-450 2E1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50158919(3-Thiophen-2-yl-pyridine | CHEMBL179618 | US860970...)
Affinity DataIC50:  4.10E+3nMAssay Description:Inhibitory concentration value against human cytochrome P-450 2E1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50158923(5-Pyridin-3-yl-thiophene-2-carbaldehyde oxime | CH...)
Affinity DataIC50:  4.20E+3nMAssay Description:Inhibitory concentration value against human cytochrome P-450 2E1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50366406(CHEMBL4174365)
Affinity DataIC50:  4.20E+3nMAssay Description:Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate preincubated for 5 mins followed by addition of NADPH-regenerating sy...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50366402(CHEMBL4172462)
Affinity DataIC50:  4.50E+3nMAssay Description:Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate preincubated for 5 mins followed by addition of NADPH-regenerating sy...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM19188(7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...)
Affinity DataIC50:  5.00E+3nMAssay Description:Inhibition of human recombinant CYP2E1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Rattus norvegicus (rat))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50183062(1-((2-(2-(4-chlorophenyl)ethyl)-1,3-dioxolan-2-yl)...)
Affinity DataIC50:  5.00E+3nMAssay Description:Inhibition of rat liver CYP2E1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50366411(CHEMBL4160749)
Affinity DataIC50:  5.50E+3nMAssay Description:Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate preincubated for 5 mins followed by addition of NADPH-regenerating sy...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50366404(CHEMBL4162449)
Affinity DataIC50:  5.90E+3nMAssay Description:Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate preincubated for 5 mins followed by addition of NADPH-regenerating sy...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Rattus norvegicus (rat))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50183058((2R,4S)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...)
Affinity DataIC50:  6.00E+3nMAssay Description:Inhibition of rat liver CYP2E1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM12358(3-(4-methylthiophen-3-yl)pyridine | CHEMBL179704 |...)
Affinity DataIC50:  6.30E+3nMAssay Description:Inhibitory concentration value against human cytochrome P-450 2E1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50366395(CHEMBL4175869)
Affinity DataIC50:  6.80E+3nMAssay Description:Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate preincubated for 5 mins followed by addition of NADPH-regenerating sy...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM12351(3-(3-methylthiophen-2-yl)pyridine | CHEMBL179669 |...)
Affinity DataIC50:  6.90E+3nMAssay Description:Inhibitory concentration value against human cytochrome P-450 2E1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50366394(CHEMBL4159065)
Affinity DataIC50:  7.00E+3nMAssay Description:Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate preincubated for 5 mins followed by addition of NADPH-regenerating sy...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50158913(2-Fluoro-5-thiophen-3-yl-pyridine | CHEMBL179005 |...)
Affinity DataIC50:  7.20E+3nMAssay Description:Inhibitory concentration value against human cytochrome P-450 2E1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM189322(US9173935, SC12)
Affinity DataIC50:  9.20E+3nMAssay Description:The interaction of SC12 with cytochrome P450 enzymes was tested using Fluorescent High Throughput P450 assays (Gentest); The IC50s of the compounds w...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM190404(US9180183, SC12)
Affinity DataIC50:  9.20E+3nMT: 2°CAssay Description:The interaction of SC12 with cytochrome P450 enzymes was tested using Fluorescent High Throughput P450 assays (Gentest); The IC50s of the compounds w...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50366435(CHEMBL4161400)
Affinity DataIC50:  9.40E+3nMAssay Description:Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate preincubated for 5 mins followed by addition of NADPH-regenerating sy...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50017203(CHEMBL3287379)
Affinity DataIC50:  9.60E+3nMAssay Description:Inhibition of CYP2E1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50566788(CHEMBL4850531)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate preincubated for 5 mins followed by NADPH addition by LC-MS/MS analys...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50549522(CHEMBL4786038)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate preincubated for 5 mins followed by NADPH generating system addition ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50517497(CHEMBL4593911)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2E1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50452361(CHEMBL4218749)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human CYP2E1 expressed in yeast cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50396352(CHEMBL2170062)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human recombinant CYP2E1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50341409(CHEMBL4176771 | US11534443, Example 9)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2E1 in human liver microsomes assessed as reduction in 6-Hydroxychlorzoxazone formation using chlorzoxazone as substrate after 10 to...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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