Compile Data Set for Download or QSAR
maximum 50k data
Found 55 of ki for UniProtKB: A0N0X8
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50113261(CHEMBL3601435)
Affinity DataKi:  40nMAssay Description:Inhibition of human microsomal CYP1A1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerati...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM7461(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)
Affinity DataKi:  42nMAssay Description:Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM23415(5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...)
Affinity DataKi:  45nMAssay Description:Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50014323(2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...)
Affinity DataKi:  45nMAssay Description:Inhibition of human microsomal CYP1A1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerati...More data for this Ligand-Target Pair
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM23414(5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chr...)
Affinity DataKi:  89nMAssay Description:Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50247221(5-(3,4-dimethoxystyryl)benzene-1,3-diol | CHEMBL47...)
Affinity DataKi:  90nMAssay Description:Mechanism based inhibition of human cytochrome P450 1A1 measured by 7-ethoxyresorufin O-deethylation (EROD)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50432672(CHEMBL2347912)
Affinity DataKi:  110nMAssay Description:Inhibition of human microsomal CYP1A1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerati...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50432670(CHEMBL2347914)
Affinity DataKi:  130nMAssay Description:Irreversible inhibition of CYP1A1 (unknown origin)-mediated deethylation of resorufin ethyl ether after 5 mins by spectrofluorimetric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50252422(CHEBI:63672 | CHEMBL498917)
Affinity DataKi:  130nMAssay Description:Inhibition of recombinant human CYP1A1 expressed in supersomes coexpressing NADPH-CYP reductase using 7-ethoxyresorufin as substrate after 15 mins in...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  150nMAssay Description:Competitive inhibition of human liver microsomes CYP1A1 expressed in supersomes coexpressing NADPH-CYP reductase using 7-Ethoxyresorufin as substrate...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  160nMAssay Description:Competitive inhibition of human recombinant CYP1A1 using 7-Ethoxyresorufin as substrate by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50085541((E)-3,5-dihydroxy-4'-methoxystilbene | 13E-3,5-dih...)
Affinity DataKi:  160nMAssay Description:Inhibition of recombinant human CYP1A1 expressed in supersomes coexpressing NADPH-CYP reductase using 7-ethoxyresorufin as substrate after 15 mins in...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50344054(3',5-dihydroxy-4',6,7-trimethoxy flavone | 6-metho...)
Affinity DataKi:  210nMAssay Description:Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50418082(CHEMBL1743360)
Affinity DataKi:  220nMAssay Description:Mechanism based inhibition of human cytochrome P450 1A1 measured by 7-ethoxyresorufin O-deethylation (EROD)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50239593(CHEMBL4096550)
Affinity DataKi:  240nMAssay Description:Inhibition of human supersomes CYP1A1-mediated 7-ethoxyresorufin conversion to fluorescent resorufin preincubated with 7-ethoxyresorufin for 5 mins f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50432677(CHEMBL2347756)
Affinity DataKi:  270nMAssay Description:Inhibition of human microsomal CYP1A1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerati...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50452361(CHEMBL4218749)
Affinity DataKi:  280nMAssay Description:Competitive inhibition of human CYP1A1 using 7-ethoxyresorufin as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50585332(CHEMBL5077719)
Affinity DataKi:  300nMAssay Description:Binding affinity to recombinant CYP1A1 in human liver microsomes assessed as inhibition constant measured for 15 mins in the presence of NADPH regene...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM15236(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Affinity DataKi:  370nMAssay Description:Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM7458(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Affinity DataKi:  390nMAssay Description:Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50113259(CHEMBL3601433)
Affinity DataKi:  430nMAssay Description:Inhibition of human microsomal CYP1A1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerati...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50113260(CHEMBL3601434)
Affinity DataKi:  470nMAssay Description:Inhibition of human microsomal CYP1A1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerati...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50239591(CHEMBL4104764)
Affinity DataKi:  490nMAssay Description:Inhibition of human supersomes CYP1A1-mediated 7-ethoxyresorufin conversion to fluorescent resorufin preincubated with 7-ethoxyresorufin for 5 mins f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50585331(CHEMBL5073496)
Affinity DataKi:  500nMAssay Description:Binding affinity to recombinant CYP1A1 in human liver microsomes assessed as inhibition constant measured for 15 mins in the presence of NADPH regene...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50239592(CHEMBL4078072)
Affinity DataKi:  540nMAssay Description:Inhibition of human supersomes CYP1A1-mediated 7-ethoxyresorufin conversion to fluorescent resorufin preincubated with 7-ethoxyresorufin for 5 mins f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50061117(6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol |...)
Affinity DataKi:  541nMAssay Description:Competitive inhibition of human liver microsomes CYP1A1 expressed in supersomes coexpressing NADPH-CYP reductase using 7-Ethoxyresorufin as substrate...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50131688((E)-4-(3,5-dimethoxystyryl)phenol | 3,5-Dimethoxy-...)
Affinity DataKi:  570nMAssay Description:Inhibition of recombinant human CYP1A1 expressed in supersomes coexpressing NADPH-CYP reductase using 7-ethoxyresorufin as substrate after 15 mins in...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50134461(2-(3-Hydroxy-4-methoxy-phenyl)-5,6,7-trimethoxy-ch...)
Affinity DataKi:  630nMAssay Description:Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM7460(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Affinity DataKi:  660nMAssay Description:Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM7462(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Affinity DataKi:  750nMAssay Description:Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50025321(2-(3,4-Dihydroxy-phenyl)-5-hydroxy-6,7-dimethoxy-c...)
Affinity DataKi: >800nMAssay Description:Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM7459(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Affinity DataKi:  890nMAssay Description:Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50009001(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
Affinity DataKi:  1.22E+3nMAssay Description:Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50113262(CHEMBL3601436)
Affinity DataKi:  1.23E+3nMAssay Description:Inhibition of human microsomal CYP1A1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerati...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50532215(CBD-V | CBDV | Cannabidivarin | GWP42006)
Affinity DataKi:  1.60E+3nMAssay Description:Inhibition of human recombinant CYP1A1 preincubated with NADPH for 20 mins and measured after 30 min by Lineweaver-burk plots analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM23411(5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Affinity DataKi:  1.64E+3nMAssay Description:Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50585333(CHEMBL5084275)
Affinity DataKi:  1.70E+3nMAssay Description:Binding affinity to recombinant CYP1A1 in human liver microsomes assessed as inhibition constant measured for 15 mins in the presence of NADPH regene...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50187658(4',5-dihydroxy-7-methoxy flavone | 4',5-dihydroxy-...)
Affinity DataKi: >2.34E+3nMAssay Description:Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM7459(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Affinity DataKi:  2.40E+3nMAssay Description:Inhibition of recombinant human CYP1A1 expressed in Escherichia coli DH5alpha coexpressing human NADPH-cytochrome P450 reductase in using 7-ethoxyres...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50360379(CHEMBL1933692)
Affinity DataKi:  5.37E+3nMAssay Description:Inhibition of CYP1A1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50113271(CHEMBL3601508)
Affinity DataKi:  1.16E+4nMAssay Description:Inhibition of human microsomal CYP1A1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerati...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50113269(CHEMBL3601441)
Affinity DataKi:  1.20E+4nMAssay Description:Inhibition of human microsomal CYP1A1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerati...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50113266(CHEMBL3601438)
Affinity DataKi:  1.84E+4nMAssay Description:Inhibition of human microsomal CYP1A1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerati...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50113265(CHEMBL3601437)
Affinity DataKi:  2.52E+4nMAssay Description:Inhibition of human microsomal CYP1A1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerati...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50360380(CHEMBL1933693)
Affinity DataKi:  3.09E+4nMAssay Description:Inhibition of CYP1A1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50113272(CHEBI:82453 | CHEMBL50703)
Affinity DataKi:  3.79E+4nMAssay Description:Inhibition of human microsomal CYP1A1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerati...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Affinity DataKi:  5.90E+4nMAssay Description:Mixed type inhibition of human hepatic microsomes CYP1A1 expressed in supersomes coexpressing NADPH-cytochrome P450 reductase using 7-Ethoxyresorufin...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50113268(CHEMBL3601440)
Affinity DataKi:  6.06E+4nMAssay Description:Inhibition of human microsomal CYP1A1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerati...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50113273(CHEMBL3601509)
Affinity DataKi:  6.07E+4nMAssay Description:Inhibition of human microsomal CYP1A1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerati...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50252401(CHEMBL4101296)
Affinity DataKi:  6.90E+4nMAssay Description:Inhibition of recombinant CYP1A1 (unknown origin) expressed in Escherichia coli DH5alphaF'Iq coexpressing human NADPH-P450 reductase using E2-d4 as s...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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