Compile Data Set for Download or QSAR
maximum 50k data
Found 628 Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2A6'
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50499777(CHEMBL3740883)
Affinity DataKi:  0.0570nMAssay Description:Inhibition of human microsomal CYP2A6More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50499784(CHEMBL3740902)
Affinity DataKi:  1.5nMAssay Description:Inhibition of human microsomal CYP2A6More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50499772(CHEMBL3741757)
Affinity DataKi:  1.70nMAssay Description:Inhibition of human microsomal CYP2A6More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50499773(CHEMBL3739596)
Affinity DataKi:  1.90nMAssay Description:Inhibition of human microsomal CYP2A6More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50499774(CHEMBL3742383)
Affinity DataKi:  2.60nMAssay Description:Inhibition of human microsomal CYP2A6More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50499783(CHEMBL3742224)
Affinity DataKi:  2.60nMAssay Description:Inhibition of human microsomal CYP2A6More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50499782(CHEMBL3741819)
Affinity DataKi:  2.70nMAssay Description:Inhibition of human microsomal CYP2A6More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50499775(CHEMBL3740871)
Affinity DataKi:  3.10nMAssay Description:Inhibition of human microsomal CYP2A6More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50499780(CHEMBL3740860)
Affinity DataKi:  3.30nMAssay Description:Inhibition of human microsomal CYP2A6More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50499776(CHEMBL3740335)
Affinity DataKi:  3.40nMAssay Description:Inhibition of human microsomal CYP2A6More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50499781(CHEMBL3742302)
Affinity DataKi:  6nMAssay Description:Inhibition of human microsomal CYP2A6More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50342656(CHEMBL1770735 | benzo[b]thiophen-2-ylmethanamine)
Affinity DataKi:  10nMAssay Description:Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50499786(CHEMBL3740529)
Affinity DataKi:  11nMAssay Description:Inhibition of human microsomal CYP2A6More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50499779(CHEMBL3739672)
Affinity DataKi:  13nMAssay Description:Inhibition of human microsomal CYP2A6More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50499785(CHEMBL3739579)
Affinity DataKi:  13nMAssay Description:Inhibition of human microsomal CYP2A6More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50499778(CHEMBL3740695)
Affinity DataKi:  17nMAssay Description:Inhibition of human microsomal CYP2A6More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM12341(CHEMBL178681 | CHEMBL359657 | US8609708, 1 | US860...)
Affinity DataKi:  20nMAssay Description:Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM12345(CHEMBL178090 | US8609708, 2 | US8609708, 47 | [5-(...)
Affinity DataKi:  40nMAssay Description:Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6More data for this Ligand-Target Pair
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50037776(CHEMBL3358193)
Affinity DataKi:  60nMAssay Description:Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50037778(CHEMBL3358192)
Affinity DataKi:  70nMAssay Description:Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50037779(CHEMBL3358215)
Affinity DataKi:  70nMAssay Description:Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50037782(CHEMBL3358223)
Affinity DataKi:  70nMAssay Description:Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM12341(CHEMBL178681 | CHEMBL359657 | US8609708, 1 | US860...)
Affinity DataKi:  80nM ΔG°:  -42.1kJ/molepH: 7.5 T: 2°CAssay Description:To measure CYP2A6 activity, coumarin 7-hydroxylation was determined. The formation of the coumarin metabolite, 7-hydroxycoumarin, was determined fluo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM12348(3-(pyridin-3-yl)prop-2-yn-1-amine | CHEMBL360541 |...)
Affinity DataKi:  90nMAssay Description:Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50037774(CHEMBL3358194)
Affinity DataKi:  90nMAssay Description:Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50037780(CHEMBL3358216)
Affinity DataKi:  100nMAssay Description:Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM12351(3-(3-methylthiophen-2-yl)pyridine | CHEMBL179669 |...)
Affinity DataKi:  100nMAssay Description:Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM12345(CHEMBL178090 | US8609708, 2 | US8609708, 47 | [5-(...)
Affinity DataKi:  100nM ΔG°:  -41.6kJ/molepH: 7.5 T: 2°CAssay Description:To measure CYP2A6 activity, coumarin 7-hydroxylation was determined. The formation of the coumarin metabolite, 7-hydroxycoumarin, was determined fluo...More data for this Ligand-Target Pair
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50037716(CHEMBL3358202)
Affinity DataKi:  130nMAssay Description:Irreversible inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate incubated for 10 mins by fluorescenc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50240772((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...)
Affinity DataKi:  130nMAssay Description:Mixed inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50158920(3-(3-Methyl-1H-imidazol-4-yl)-pyridine | CHEMBL179...)
Affinity DataKi:  130nMAssay Description:Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM12352(3-(1-methyl-1H-imidazol-4-yl)pyridine | CHEMBL3609...)
Affinity DataKi:  130nMAssay Description:Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50158922(3-(4-Methyl-imidazol-1-yl)-pyridine | CHEMBL178781)
Affinity DataKi:  170nMAssay Description:Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50158946(3-Methyl-5-(4-methyl-thiophen-3-yl)-pyridine | CHE...)
Affinity DataKi:  170nMAssay Description:Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM12343(CHEMBL369285 | US8609708, 9 | methyl({[5-(pyridin-...)
Affinity DataKi:  180nMAssay Description:Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50037780(CHEMBL3358216)
Affinity DataKi:  200nMAssay Description:Irreversible inhibition of human CYP2A6 in baculovirus-infected insect cell system assessed as nicotine metabolism after 15 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50037724(CHEMBL3358196)
Affinity DataKi:  200nMAssay Description:Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM12354(2-fluoro-5-(3-methylthiophen-2-yl)pyridine | CHEMB...)
Affinity DataKi:  210nMAssay Description:Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM12355(3-(thiophen-3-yl)pyridine | CHEMBL361153 | US86097...)
Affinity DataKi:  220nMAssay Description:Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50158914(3-(1-Benzyl-1H-imidazol-4-yl)-pyridine | CHEMBL178...)
Affinity DataKi:  230nMAssay Description:Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50158923(5-Pyridin-3-yl-thiophene-2-carbaldehyde oxime | CH...)
Affinity DataKi:  240nMAssay Description:Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM12357(3-(1H-imidazol-4-yl)pyridine | CHEMBL178516 | JMC5...)
Affinity DataKi:  250nMAssay Description:Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM12356(3-(2-methyl-1H-imidazol-1-yl)pyridine | CHEMBL3688...)
Affinity DataKi:  250nMAssay Description:Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50041234(6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta...)
Affinity DataKi:  250nMAssay Description:Mixed inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM12358(3-(4-methylthiophen-3-yl)pyridine | CHEMBL179704 |...)
Affinity DataKi:  250nMAssay Description:Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM12346(CHEMBL178938 | US8609708,16 | methyl({[5-(pyridin-...)
Affinity DataKi:  280nMAssay Description:Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6More data for this Ligand-Target Pair
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM12370((3-(Pyridin-3-yl)-1H-pyrazol-5-yl)methanamine | [3...)
Affinity DataKi:  300nMAssay Description:To measure CYP2A6 activity, coumarin 7-hydroxylation was determined. The formation of the coumarin metabolite, 7-hydroxycoumarin, was determined fluo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM12348(3-(pyridin-3-yl)prop-2-yn-1-amine | CHEMBL360541 |...)
Affinity DataKi:  300nM ΔG°:  -38.7kJ/molepH: 7.5 T: 2°CAssay Description:To measure CYP2A6 activity, coumarin 7-hydroxylation was determined. The formation of the coumarin metabolite, 7-hydroxycoumarin, was determined fluo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM12351(3-(3-methylthiophen-2-yl)pyridine | CHEMBL179669 |...)
Affinity DataKi:  300nM ΔG°:  -38.7kJ/molepH: 7.5 T: 2°CAssay Description:To measure CYP2A6 activity, coumarin 7-hydroxylation was determined. The formation of the coumarin metabolite, 7-hydroxycoumarin, was determined fluo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
National Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM12352(3-(1-methyl-1H-imidazol-4-yl)pyridine | CHEMBL3609...)
Affinity DataKi:  400nM ΔG°:  -38.0kJ/molepH: 7.5 T: 2°CAssay Description:To measure CYP2A6 activity, coumarin 7-hydroxylation was determined. The formation of the coumarin metabolite, 7-hydroxycoumarin, was determined fluo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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