Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 1A2 (Rattus norvegicus) | BDBM50027793 (CHEMBL3215311) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. 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) 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 AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description Mechanism based inhibition of rat cytochrome P450 CYP1A2 | Curr Drug Metab 6: 413-54 (2005) BindingDB Entry DOI: 10.7270/Q2VQ33X3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A2 (Rattus norvegicus) | BDBM50027784 (9-Ethynyl Phenanthrene | CHEMBL1908227) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | PubMed | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. 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) BindingDB Entry DOI: 10.7270/Q2VQ33X3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A2 (Rattus norvegicus) | BDBM50027776 (4-Ethynyl Biphenyl | 4-Ethynyl-Biphenyl | CHEMBL37...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | PubMed | 870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. 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) BindingDB Entry DOI: 10.7270/Q2VQ33X3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A2 (Rattus norvegicus) | BDBM50027779 (4-Ethynyl Pyrene | CHEMBL1908231) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. 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) BindingDB Entry DOI: 10.7270/Q2VQ33X3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A2 (Rattus norvegicus) | BDBM50088435 (CHEMBL3274190) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Khon Kaen University Curated by ChEMBL | Assay Description Competitive inhibition of rat recombinant CYP1A2 expressed in Escherichia coli assessed as inhibition of PHEN O-deethylation by dixon plot analysis | Drug Metab Dispos 40: 982-9 (2012) Article DOI: 10.1124/dmd.111.044057 BindingDB Entry DOI: 10.7270/Q2MS3VGW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A2 (Rattus norvegicus) | BDBM50448435 (CHEMBL3122088) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars | Article PubMed | 1.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Khon Kaen University Curated by ChEMBL | Assay Description Competitive inhibition of rat recombinant CYP1A2 expressed in Escherichia coli assessed as inhibition of PHEN O-deethylation by dixon plot analysis | Drug Metab Dispos 40: 982-9 (2012) Article DOI: 10.1124/dmd.111.044057 BindingDB Entry DOI: 10.7270/Q2MS3VGW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A2 (Rattus norvegicus) | BDBM50448437 (CHEMBL3122151 | Oleate) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars | Article PubMed | 1.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Khon Kaen University Curated by ChEMBL | Assay Description Competitive inhibition of rat recombinant CYP1A2 expressed in Escherichia coli assessed as inhibition of PHEN O-deethylation by dixon plot analysis | Drug Metab Dispos 40: 982-9 (2012) Article DOI: 10.1124/dmd.111.044057 BindingDB Entry DOI: 10.7270/Q2MS3VGW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A2 (Rattus norvegicus) | BDBM50028091 ((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | 5.74E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description Mechanism based inhibition of rat cytochrome P450 CYP1A2 measured by zolmitriptan metabolism | Curr Drug Metab 6: 413-54 (2005) BindingDB Entry DOI: 10.7270/Q2VQ33X3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A2 (Rattus norvegicus) | BDBM50592756 (CHEMBL5182450) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | 1.27E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1016/j.bmcl.2022.128881 BindingDB Entry DOI: 10.7270/Q2DJ5KMV | ||||||||||||
More data for this Ligand-Target Pair |