Compile Data Set for Download or QSAR
maximum 50k data
Found 48 of ki for UniProtKB: P05177
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50418082(CHEMBL1743360)
Affinity DataKi:  13nMAssay Description:Mechanism based inhibition of human cytochrome P450 1A2 measured by 7-methoxyresorufin O-demethylation (MROD)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50432672(CHEMBL2347912)
Affinity DataKi:  14nMAssay Description:Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50014323(2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...)
Affinity DataKi:  20nMAssay Description:Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera...More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50113259(CHEMBL3601433)
Affinity DataKi:  30nMAssay Description:Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50113260(CHEMBL3601434)
Affinity DataKi:  44nMAssay Description:Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50081468(CHEMBL3422028)
Affinity DataKi:  56nMAssay Description:Inhibition of human recombinant CYP1A2 assessed as metabolism of 3-cyano-7-ethoxycoumarin after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50432677(CHEMBL2347756)
Affinity DataKi:  58nMAssay Description:Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50432670(CHEMBL2347914)
Affinity DataKi:  71nMAssay Description:Irreversible inhibition of CYP1A2 (unknown origin)-mediated demethylation of resorufin methyl ether after 5 mins by spectrofluorimetric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50113261(CHEMBL3601435)
Affinity DataKi:  76nMAssay Description:Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50435005(CHEMBL2386285)
Affinity DataKi:  76nMAssay Description:Inhibition of human recombinant CYP1A2 assessed as metabolism of 3-cyano-7-ethoxycoumarin after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50061117(6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol |...)
Affinity DataKi:  79nMAssay Description:Competitive inhibition of human liver microsomes CYP1A2 expressed in supersomes coexpressing NADPH-CYP reductase using 7-Ethoxyresorufin as substrate...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50113262(CHEMBL3601436)
Affinity DataKi:  90nMAssay Description:Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50113260(CHEMBL3601434)
Affinity DataKi:  120nMAssay Description:Time-dependent inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50113268(CHEMBL3601440)
Affinity DataKi:  390nMAssay Description:Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50113259(CHEMBL3601433)
Affinity DataKi:  440nMAssay Description:Time-dependent inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50122758(2-methyl-4-(pyridin-3-ylethynyl)thiazole | 3-(2-(2...)
Affinity DataKi:  500nMAssay Description:Competitive inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50084137(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)
Affinity DataKi:  500nMAssay Description:Competitive inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50084137(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)
Affinity DataKi:  500nMAssay Description:Competitive inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM7461(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)
Affinity DataKi:  500nMAssay Description:Inhibition of recombinant human CYP1A2 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 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50122758(2-methyl-4-(pyridin-3-ylethynyl)thiazole | 3-(2-(2...)
Affinity DataKi:  500nMAssay Description:Competitive inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50121070(CHEMBL3622017)
Affinity DataKi:  770nMAssay Description:Inhibition of CYP1A2 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50593320(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Affinity DataKi:  1.00E+3nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50113272(CHEBI:82453 | CHEMBL50703)
Affinity DataKi:  1.15E+3nMAssay Description:Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50113265(CHEMBL3601437)
Affinity DataKi:  1.29E+3nMAssay Description:Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50113273(CHEMBL3601509)
Affinity DataKi:  1.35E+3nMAssay Description:Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50113267(CHEMBL3601439)
Affinity DataKi:  1.51E+3nMAssay Description:Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50113266(CHEMBL3601438)
Affinity DataKi:  1.72E+3nMAssay Description:Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM8961(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Affinity DataKi:  1.94E+3nMAssay Description:Mechanism based inhibition of human cytochrome P450 1A2 measured by 7-ethoxyresorufin O-deethylation (EROD)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50417192(CHEMBL1271476)
Affinity DataKi:  2.00E+3nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50318484(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Affinity DataKi:  2.69E+3nMAssay Description:Competitive inhibition of human recombinant CYP1A2 using 7-Ethoxyresorufin as substrate by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50236897(3-(furan-2-ylmethyl)-1,8-dimethyl-1H-purine-2,6(3H...)
Affinity DataKi:  3.00E+3nMAssay Description:Mechanism based inhibition of human cytochrome P450 1A2 measured by 7-ethoxyresorufin O-deethylation (EROD)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50113275(CHEMBL3601511)
Affinity DataKi:  3.55E+3nMAssay Description:Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50113271(CHEMBL3601508)
Affinity DataKi:  3.70E+3nMAssay Description:Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50113269(CHEMBL3601441)
Affinity DataKi:  5.02E+3nMAssay Description:Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50593319(CHEMBL5188333)
Affinity DataKi:  6.00E+3nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50418081(OLTIPRAZ)
Affinity DataKi:  9.00E+3nMAssay Description:Mechanism based inhibition of human cytochrome P450 1A2 measured by 7-ethoxyresorufin O-deethylation (EROD)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Affinity DataKi:  1.20E+4nMAssay Description:Mixed type inhibition of human hepatic microsomes CYP1A2 expressed in supersomes coexpressing NADPH-cytochrome P450 reductase using 7-Ethoxyresorufin...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50113274(CHEMBL3601510)
Affinity DataKi:  1.42E+4nMAssay Description:Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50236897(3-(furan-2-ylmethyl)-1,8-dimethyl-1H-purine-2,6(3H...)
Affinity DataKi:  2.30E+4nMAssay Description:Mechanism based inhibition of human cytochrome P450 1A2 measured by formation of 6-hydroxywarfarinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataKi:  2.54E+4nMAssay Description:Mixed-type inhibition of CYP1A2 in pooled human liver microsomes using varying levels of phenacetin as substrate pretreated for 5 mins followed by su...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50088490(CHEMBL3526979)
Affinity DataKi: >3.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 5 to 30 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50363928(CHEMBL1951575)
Affinity DataKi: >3.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 5 to 30 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50240713(CHEMBL4066318)
Affinity DataKi:  5.46E+4nMAssay Description:Inactivation of CYP1A2 in human liver microsomes after 5 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50336507(4-pyridinecarbohydrazide(Isoniazid) | CHEMBL64 | D...)
Affinity DataKi:  5.60E+4nMAssay Description:Mechanism based inhibition of human cytochrome P450 1A2 measured by formation of 6-hydroxywarfarinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50418083(CHEMBL1743359 | ZILEUTON)
Affinity DataKi:  6.60E+4nMAssay Description:Mechanism based inhibition of human cytochrome P450 1A2 measured by phenacetin O-deethylation (POD) More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50236897(3-(furan-2-ylmethyl)-1,8-dimethyl-1H-purine-2,6(3H...)
Affinity DataKi:  6.80E+4nMAssay Description:Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50320449((-)-ZILEUTON | CHEMBL1164975)
Affinity DataKi:  9.82E+4nMAssay Description:Mechanism based inhibition of human cytochrome P450 1A2 measured by phenacetin O-deethylation (POD) More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50000541((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...)
Affinity DataKi:  1.17E+5nMAssay Description:Mechanism based inhibition of human cytochrome P450 1A2 measured by phenacetin O-deethylation (POD) More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank