Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50239593![]() (CHEMBL4096550) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H�pital Saint-Fran�ois d'Assise Curated by ChEMBL | Assay Description Inhibition of human supersomes CYP1A1-mediated 7-ethoxyresorufin conversion to fluorescent resorufin preincubated with 7-ethoxyresorufin for 5 mins f... | J Med Chem 60: 4963-4982 (2017) Article DOI: 10.1021/acs.jmedchem.7b00343 BindingDB Entry DOI: 10.7270/Q2JM2CSD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A2 (Rattus norvegicus) | BDBM50027793![]() (CHEMBL3215311) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Inc Curated by ChEMBL | Assay Description Mechanism based inhibition of rat cytochrome P450 CYP1A2 measured by 7-methoxyresorufin O-demethylation (MROD) | Curr Drug Metab 6: 413-54 (2005) Article DOI: 10.2174/138920005774330639 BindingDB Entry DOI: 10.7270/Q2VQ33X3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50239591![]() (CHEMBL4104764) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H�pital Saint-Fran�ois d'Assise Curated by ChEMBL | Assay Description Inhibition of human supersomes CYP1A1-mediated 7-ethoxyresorufin conversion to fluorescent resorufin preincubated with 7-ethoxyresorufin for 5 mins f... | J Med Chem 60: 4963-4982 (2017) Article DOI: 10.1021/acs.jmedchem.7b00343 BindingDB Entry DOI: 10.7270/Q2JM2CSD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50239592![]() (CHEMBL4078072) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H�pital Saint-Fran�ois d'Assise Curated by ChEMBL | Assay Description Inhibition of human supersomes CYP1A1-mediated 7-ethoxyresorufin conversion to fluorescent resorufin preincubated with 7-ethoxyresorufin for 5 mins f... | J Med Chem 60: 4963-4982 (2017) Article DOI: 10.1021/acs.jmedchem.7b00343 BindingDB Entry DOI: 10.7270/Q2JM2CSD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A1 (Rattus norvegicus) | BDBM50027779![]() (4-Ethynyl Pyrene | CHEMBL1908231) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Inc Curated by ChEMBL | Assay Description Mechanism based inhibition of rat cytochrome P450 CYP1A1 measured by 7-ethoxyresorufin O-deethylation (EROD) | Curr Drug Metab 6: 413-54 (2005) Article DOI: 10.2174/138920005774330639 BindingDB Entry DOI: 10.7270/Q2VQ33X3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A1 (Rattus norvegicus) | BDBM50214612![]() (2-(1-propynyl)phenanthrene | CHEMBL253346) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Inc Curated by ChEMBL | Assay Description Mechanism based inhibition of rat cytochrome P450 CYP1A1 measured by 7-ethoxyresorufin O-deethylation (EROD) | Curr Drug Metab 6: 413-54 (2005) Article DOI: 10.2174/138920005774330639 BindingDB Entry DOI: 10.7270/Q2VQ33X3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50418082![]() (CHEMBL1743360) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Inc Curated by ChEMBL | Assay Description Mechanism based inhibition of human cytochrome P450 1A2 measured by 7-methoxyresorufin O-demethylation (MROD) | Curr Drug Metab 6: 413-54 (2005) Article DOI: 10.2174/138920005774330639 BindingDB Entry DOI: 10.7270/Q2VQ33X3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50432672![]() (CHEMBL2347912) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Xavier University of Louisiana Curated by ChEMBL | Assay Description Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera... | J Med Chem 58: 6481-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00494 BindingDB Entry DOI: 10.7270/Q2183895 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A1 (Rattus norvegicus) | BDBM50027778![]() (1-Ethynyl Pyrene | CHEMBL1908230) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Inc Curated by ChEMBL | Assay Description Mechanism based inhibition of rat cytochrome P450 CYP1A1 measured by 7-ethoxyresorufin O-deethylation (EROD) | Curr Drug Metab 6: 413-54 (2005) Article DOI: 10.2174/138920005774330639 BindingDB Entry DOI: 10.7270/Q2VQ33X3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50014323![]() (2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Xavier University of Louisiana Curated by ChEMBL | Assay Description Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera... | J Med Chem 58: 6481-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00494 BindingDB Entry DOI: 10.7270/Q2183895 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50113259![]() (CHEMBL3601433) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Xavier University of Louisiana Curated by ChEMBL | Assay Description Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera... | J Med Chem 58: 6481-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00494 BindingDB Entry DOI: 10.7270/Q2183895 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A2 (Rattus norvegicus) | BDBM50027784![]() (9-Ethynyl Phenanthrene | CHEMBL1908227) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Inc Curated by ChEMBL | Assay Description Mechanism based inhibition of rat cytochrome P450 CYP1A2 measured by 7-methoxyresorufin O-demethylation (MROD) | Curr Drug Metab 6: 413-54 (2005) Article DOI: 10.2174/138920005774330639 BindingDB Entry DOI: 10.7270/Q2VQ33X3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A2 (Rattus norvegicus) | BDBM50214612![]() (2-(1-propynyl)phenanthrene | CHEMBL253346) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Inc Curated by ChEMBL | Assay Description Mechanism based inhibition of rat cytochrome P450 CYP1A2 | Curr Drug Metab 6: 413-54 (2005) Article DOI: 10.2174/138920005774330639 BindingDB Entry DOI: 10.7270/Q2VQ33X3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A1 (Homo sapiens (Human)) | BDBM50113261![]() (CHEMBL3601435) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Xavier University of Louisiana Curated by ChEMBL | Assay Description Inhibition of human microsomal CYP1A1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerati... | J Med Chem 58: 6481-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00494 BindingDB Entry DOI: 10.7270/Q2183895 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A1 (Homo sapiens (Human)) | BDBM7461![]() (5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Crete Curated by ChEMBL | Assay Description Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufin | Bioorg Med Chem 19: 2842-9 (2011) Article DOI: 10.1016/j.bmc.2011.03.042 BindingDB Entry DOI: 10.7270/Q2V69JXK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50113260![]() (CHEMBL3601434) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Xavier University of Louisiana Curated by ChEMBL | Assay Description Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera... | J Med Chem 58: 6481-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00494 BindingDB Entry DOI: 10.7270/Q2183895 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A1 (Homo sapiens (Human)) | BDBM23415![]() (5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar | Purchase CHEBI CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Crete Curated by ChEMBL | Assay Description Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufin | Bioorg Med Chem 19: 2842-9 (2011) Article DOI: 10.1016/j.bmc.2011.03.042 BindingDB Entry DOI: 10.7270/Q2V69JXK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A1 (Homo sapiens (Human)) | BDBM50014323![]() (2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Xavier University of Louisiana Curated by ChEMBL | Assay Description Inhibition of human microsomal CYP1A1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerati... | J Med Chem 58: 6481-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00494 BindingDB Entry DOI: 10.7270/Q2183895 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50081468![]() (CHEMBL3422028) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP1A2 assessed as metabolism of 3-cyano-7-ethoxycoumarin after 30 mins by fluorescence assay | J Med Chem 58: 2623-48 (2015) Article DOI: 10.1021/jm501218e BindingDB Entry DOI: 10.7270/Q2TX3H32 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50432677![]() (CHEMBL2347756) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Xavier University of Louisiana Curated by ChEMBL | Assay Description Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera... | J Med Chem 58: 6481-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00494 BindingDB Entry DOI: 10.7270/Q2183895 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50432670![]() (CHEMBL2347914) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Xavier University of Louisiana Curated by ChEMBL | Assay Description Irreversible inhibition of CYP1A2 (unknown origin)-mediated demethylation of resorufin methyl ether after 5 mins by spectrofluorimetric analysis | J Med Chem 56: 4082-92 (2013) Article DOI: 10.1021/jm4003654 BindingDB Entry DOI: 10.7270/Q2CN758W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50435005![]() (CHEMBL2386285) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP1A2 assessed as metabolism of 3-cyano-7-ethoxycoumarin after 30 mins by fluorescence assay | J Med Chem 58: 2623-48 (2015) Article DOI: 10.1021/jm501218e BindingDB Entry DOI: 10.7270/Q2TX3H32 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50113261![]() (CHEMBL3601435) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Xavier University of Louisiana Curated by ChEMBL | Assay Description Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera... | J Med Chem 58: 6481-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00494 BindingDB Entry DOI: 10.7270/Q2183895 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50061117![]() (6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol |...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 79 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval Curated by ChEMBL | Assay Description Competitive inhibition of human liver microsomes CYP1A2 expressed in supersomes coexpressing NADPH-CYP reductase using 7-Ethoxyresorufin as substrate... | Eur J Med Chem 135: 296-306 (2017) Article DOI: 10.1016/j.ejmech.2017.04.042 BindingDB Entry DOI: 10.7270/Q26Q20QW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A1 (Homo sapiens (Human)) | BDBM23414![]() (5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chr...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar | Purchase CHEBI KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Crete Curated by ChEMBL | Assay Description Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufin | Bioorg Med Chem 19: 2842-9 (2011) Article DOI: 10.1016/j.bmc.2011.03.042 BindingDB Entry DOI: 10.7270/Q2V69JXK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A1 (Homo sapiens (Human)) | BDBM50247221![]() (5-(3,4-dimethoxystyryl)benzene-1,3-diol | CHEMBL47...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Inc Curated by ChEMBL | Assay Description Mechanism based inhibition of human cytochrome P450 1A1 measured by 7-ethoxyresorufin O-deethylation (EROD) | Curr Drug Metab 6: 413-54 (2005) Article DOI: 10.2174/138920005774330639 BindingDB Entry DOI: 10.7270/Q2VQ33X3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A1 (Rattus norvegicus) | BDBM50027782![]() (3-Ethynyl Phenanthrene | CHEMBL1908226) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Inc Curated by ChEMBL | Assay Description Mechanism based inhibition of rat cytochrome P450 CYP1A1 measured by 7-ethoxyresorufin O-deethylation (EROD) | Curr Drug Metab 6: 413-54 (2005) Article DOI: 10.2174/138920005774330639 BindingDB Entry DOI: 10.7270/Q2VQ33X3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50113262![]() (CHEMBL3601436) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Xavier University of Louisiana Curated by ChEMBL | Assay Description Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera... | J Med Chem 58: 6481-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00494 BindingDB Entry DOI: 10.7270/Q2183895 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A1 (Homo sapiens (Human)) | BDBM50432672![]() (CHEMBL2347912) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Xavier University of Louisiana Curated by ChEMBL | Assay Description Inhibition of human microsomal CYP1A1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerati... | J Med Chem 58: 6481-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00494 BindingDB Entry DOI: 10.7270/Q2183895 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50113260![]() (CHEMBL3601434) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Xavier University of Louisiana Curated by ChEMBL | Assay Description Time-dependent inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of... | J Med Chem 58: 6481-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00494 BindingDB Entry DOI: 10.7270/Q2183895 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A1 (Homo sapiens (Human)) | BDBM50432670![]() (CHEMBL2347914) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Xavier University of Louisiana Curated by ChEMBL | Assay Description Irreversible inhibition of CYP1A1 (unknown origin)-mediated deethylation of resorufin ethyl ether after 5 mins by spectrofluorimetric analysis | J Med Chem 56: 4082-92 (2013) Article DOI: 10.1021/jm4003654 BindingDB Entry DOI: 10.7270/Q2CN758W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50252422![]() (CHEBI:63672 | CHEMBL498917) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar | Purchase PC cid PC sid UniChem Similars | Article PubMed | 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval Curated by ChEMBL | Assay Description Inhibition of recombinant human CYP1A1 expressed in supersomes coexpressing NADPH-CYP reductase using 7-ethoxyresorufin as substrate after 15 mins in... | Eur J Med Chem 135: 296-306 (2017) Article DOI: 10.1016/j.ejmech.2017.04.042 BindingDB Entry DOI: 10.7270/Q26Q20QW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50318484![]() (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar | Purchase CHEBI CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval Curated by ChEMBL | Assay Description Competitive inhibition of human liver microsomes CYP1A1 expressed in supersomes coexpressing NADPH-CYP reductase using 7-Ethoxyresorufin as substrate... | Eur J Med Chem 135: 296-306 (2017) Article DOI: 10.1016/j.ejmech.2017.04.042 BindingDB Entry DOI: 10.7270/Q26Q20QW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50085541![]() ((E)-3,5-dihydroxy-4'-methoxystilbene | 13E-3,5-dih...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval Curated by ChEMBL | Assay Description Inhibition of recombinant human CYP1A1 expressed in supersomes coexpressing NADPH-CYP reductase using 7-ethoxyresorufin as substrate after 15 mins in... | Eur J Med Chem 135: 296-306 (2017) Article DOI: 10.1016/j.ejmech.2017.04.042 BindingDB Entry DOI: 10.7270/Q26Q20QW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50318484![]() (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar | Purchase CHEBI CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars | PubMed | 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Competitive inhibition of human recombinant CYP1A1 using 7-Ethoxyresorufin as substrate by Lineweaver-Burk plot analysis | J Med Chem 63: 12137-12155 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A1 (Homo sapiens (Human)) | BDBM50344054![]() (3',5-dihydroxy-4',6,7-trimethoxy flavone | 6-metho...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Crete Curated by ChEMBL | Assay Description Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufin | Bioorg Med Chem 19: 2842-9 (2011) Article DOI: 10.1016/j.bmc.2011.03.042 BindingDB Entry DOI: 10.7270/Q2V69JXK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A1 (Homo sapiens (Human)) | BDBM50418082![]() (CHEMBL1743360) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Inc Curated by ChEMBL | Assay Description Mechanism based inhibition of human cytochrome P450 1A1 measured by 7-ethoxyresorufin O-deethylation (EROD) | Curr Drug Metab 6: 413-54 (2005) Article DOI: 10.2174/138920005774330639 BindingDB Entry DOI: 10.7270/Q2VQ33X3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A1 (Rattus norvegicus) | BDBM50027785![]() (2-Ethynyl Phenanthrene | CHEMBL1908225) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Inc Curated by ChEMBL | Assay Description Mechanism based inhibition of rat cytochrome P450 CYP1A1 measured by 7-ethoxyresorufin O-deethylation (EROD) | Curr Drug Metab 6: 413-54 (2005) Article DOI: 10.2174/138920005774330639 BindingDB Entry DOI: 10.7270/Q2VQ33X3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A1 (Rattus norvegicus) | BDBM50027776![]() (4-Ethynyl Biphenyl | 4-Ethynyl-Biphenyl | CHEMBL37...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Inc Curated by ChEMBL | Assay Description Mechanism based inhibition of rat cytochrome P450 CYP1A1 measured by 7-ethoxyresorufin O-deethylation (EROD) | Curr Drug Metab 6: 413-54 (2005) Article DOI: 10.2174/138920005774330639 BindingDB Entry DOI: 10.7270/Q2VQ33X3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A1 (Homo sapiens (Human)) | BDBM50432677![]() (CHEMBL2347756) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Xavier University of Louisiana Curated by ChEMBL | Assay Description Inhibition of human microsomal CYP1A1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerati... | J Med Chem 58: 6481-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00494 BindingDB Entry DOI: 10.7270/Q2183895 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50452361![]() (CHEMBL4218749) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar | Purchase PC cid PC sid UniChem Similars | Article PubMed | 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University Curated by ChEMBL | Assay Description Competitive inhibition of human CYP1A1 using 7-ethoxyresorufin as substrate | Bioorg Med Chem Lett 27: 5409-5414 (2017) Article DOI: 10.1016/j.bmcl.2017.11.009 BindingDB Entry DOI: 10.7270/Q2MP55TT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A1 (Rattus norvegicus) | BDBM50027793![]() (CHEMBL3215311) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Inc Curated by ChEMBL | Assay Description Mechanism based inhibition of rat cytochrome P450 CYP1A1 measured by 7-ethoxyresorufin O-deethylation (EROD) | Curr Drug Metab 6: 413-54 (2005) Article DOI: 10.2174/138920005774330639 BindingDB Entry DOI: 10.7270/Q2VQ33X3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A1 (Homo sapiens (Human)) | BDBM15236![]() (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar | Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Crete Curated by ChEMBL | Assay Description Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufin | Bioorg Med Chem 19: 2842-9 (2011) Article DOI: 10.1016/j.bmc.2011.03.042 BindingDB Entry DOI: 10.7270/Q2V69JXK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A1 (Homo sapiens (Human)) | BDBM7458![]() (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar | Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Crete Curated by ChEMBL | Assay Description Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufin | Bioorg Med Chem 19: 2842-9 (2011) Article DOI: 10.1016/j.bmc.2011.03.042 BindingDB Entry DOI: 10.7270/Q2V69JXK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50113268![]() (CHEMBL3601440) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Xavier University of Louisiana Curated by ChEMBL | Assay Description Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera... | J Med Chem 58: 6481-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00494 BindingDB Entry DOI: 10.7270/Q2183895 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A1 (Homo sapiens (Human)) | BDBM50113259![]() (CHEMBL3601433) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Xavier University of Louisiana Curated by ChEMBL | Assay Description Inhibition of human microsomal CYP1A1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerati... | J Med Chem 58: 6481-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00494 BindingDB Entry DOI: 10.7270/Q2183895 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50113259![]() (CHEMBL3601433) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Xavier University of Louisiana Curated by ChEMBL | Assay Description Time-dependent inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of... | J Med Chem 58: 6481-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00494 BindingDB Entry DOI: 10.7270/Q2183895 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A1 (Homo sapiens (Human)) | BDBM50113260![]() (CHEMBL3601434) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Xavier University of Louisiana Curated by ChEMBL | Assay Description Inhibition of human microsomal CYP1A1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerati... | J Med Chem 58: 6481-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00494 BindingDB Entry DOI: 10.7270/Q2183895 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50122758![]() (2-methyl-4-(pyridin-3-ylethynyl)thiazole | 3-(2-(2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Recordati S.p.A. Curated by ChEMBL | Assay Description Competitive inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 20 mins by LC-MS/MS analysis | J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50084137![]() (2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar | Purchase CHEBI CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Recordati S.p.A. Curated by ChEMBL | Assay Description Competitive inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 20 mins by LC-MS/MS analysis | J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226 | |||||||||||
More data for this Ligand-Target Pair |
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