Compile Data Set for Download or QSAR
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Found 27 Enz. Inhib. hit(s) with all data for entry = 50018934
TargetCytochrome P450 2A6(Homo sapiens (Human))TBA
LigandPNGBDBM50613945(CHEMBL5289073)
Affinity DataKi:  10nMAssay Description:Competitive inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))TBA
LigandPNGBDBM50613946(5-Allyloxycoumarin | CHEMBL450963)
Affinity DataKi:  30nMAssay Description:Competitive inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))TBA
LigandPNGBDBM50613944(CHEMBL502746)
Affinity DataKi:  50nMAssay Description:Mixed type inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))TBA
LigandPNGBDBM50613947(CHEMBL448936)
Affinity DataKi:  80nMAssay Description:Competitive inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))TBA
LigandPNGBDBM50041234(6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta...)
Affinity DataKi:  90nMAssay Description:Mixed type inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
TargetCytochrome P450 2A6(Homo sapiens (Human))TBA
LigandPNGBDBM50613943(6-Methoxycoumarin | CHEMBL496547)
Affinity DataKi:  250nMAssay Description:Competitive inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))TBA
LigandPNGBDBM50041234(6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta...)
Affinity DataKi:  260nMAssay Description:Non competitive inhibition of CYP2A6 in human liver microsome using coumarin as substrate preincubated with NADPH for 5 mins and measured after 30 mi...More data for this Ligand-Target Pair
TargetCytochrome P450 2A6(Homo sapiens (Human))TBA
LigandPNGBDBM50613941(CHEMBL451623)
Affinity DataKi:  540nMAssay Description:Competitive inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50041234(6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta...)
Affinity DataKi:  2.20E+3nMAssay Description:Competitive inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetCytochrome P450 2A6(Homo sapiens (Human))TBA
LigandPNGBDBM50613942(8-Methoxycoumarin | CHEMBL503184)
Affinity DataKi:  4.00E+3nMAssay Description:Competitive inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50041234(6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta...)
Affinity DataKi:  2.50E+4nMAssay Description:Non competitive inhibition of CYP3A4 in human liver microsome using coumarin as substrate preincubated with NADPH for 5 mins and measured after 30 mi...More data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50613946(5-Allyloxycoumarin | CHEMBL450963)
Affinity DataKi:  2.81E+4nMAssay Description:Mixed type inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM12341(CHEMBL178681 | CHEMBL359657 | US8609708, 1 | US860...)
Affinity DataKi:  2.94E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50613945(CHEMBL5289073)
Affinity DataKi:  4.66E+4nMAssay Description:Mixed type inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50613947(CHEMBL448936)
Affinity DataKi:  4.24E+5nMAssay Description:Non competitive inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50613944(CHEMBL502746)
Affinity DataKi:  4.48E+5nMAssay Description:Non competitive inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))TBA
LigandPNGBDBM50613945(CHEMBL5289073)
Affinity DataIC50:  40nMAssay Description:Inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))TBA
LigandPNGBDBM50613946(5-Allyloxycoumarin | CHEMBL450963)
Affinity DataIC50:  50nMAssay Description:Inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))TBA
LigandPNGBDBM50613944(CHEMBL502746)
Affinity DataIC50:  130nMAssay Description:Inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))TBA
LigandPNGBDBM50613947(CHEMBL448936)
Affinity DataIC50:  170nMAssay Description:Inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))TBA
LigandPNGBDBM50613943(6-Methoxycoumarin | CHEMBL496547)
Affinity DataIC50:  200nMAssay Description:Inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))TBA
LigandPNGBDBM50041234(6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta...)
Affinity DataIC50:  460nMAssay Description:Inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
TargetCytochrome P450 2A6(Homo sapiens (Human))TBA
LigandPNGBDBM50613941(CHEMBL451623)
Affinity DataIC50:  1.06E+3nMAssay Description:Inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))TBA
LigandPNGBDBM50613942(8-Methoxycoumarin | CHEMBL503184)
Affinity DataIC50:  7.47E+3nMAssay Description:Inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50613943(6-Methoxycoumarin | CHEMBL496547)
Affinity DataIC50: >2.50E+5nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50613942(8-Methoxycoumarin | CHEMBL503184)
Affinity DataIC50: >2.50E+5nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50613941(CHEMBL451623)
Affinity DataIC50: >2.50E+5nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed