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 2A6 (Homo sapiens (Human)) | BDBM50101990 (CHEMBL3188333) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 680 | n/a | n/a | n/a | n/a | n/a |
University of Kansas Curated by ChEMBL | Assay Description Binding affinity to CYP2A6 (unknown origin) assessed as type 1 interaction as increase in absorbance 379 to 387 nm and decrease in 414 to 420 nm | Drug Metab Dispos 40: 1797-802 (2012) Article DOI: 10.1124/dmd.112.045161 BindingDB Entry DOI: 10.7270/Q2BK1F3P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2A6 (Homo sapiens (Human)) | BDBM50240772 ((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a |
University of Kansas Curated by ChEMBL | Assay Description Binding affinity to CYP2A6 (unknown origin) assessed as type 2 interaction as increase in absorbance 431 to 432 nm and decrease in 406 to 412 nm | Drug Metab Dispos 40: 1797-802 (2012) Article DOI: 10.1124/dmd.112.045161 BindingDB Entry DOI: 10.7270/Q2BK1F3P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2A6 (Homo sapiens (Human)) | BDBM50024210 (1H-indole-3-ethanamine | 2-(1H-indol-3-yl)ethanami...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a |
University of Kansas Curated by ChEMBL | Assay Description Binding affinity to CYP2A6 (unknown origin) assessed as type 2 interaction as increase in absorbance 431 to 432 nm and decrease in 406 to 412 nm | Drug Metab Dispos 40: 1797-802 (2012) Article DOI: 10.1124/dmd.112.045161 BindingDB Entry DOI: 10.7270/Q2BK1F3P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2A6 (Homo sapiens (Human)) | BDBM50008072 ((+)-pilocarpine | (3S,4R)-3-ethyl-4-[(1-methyl-1H-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank PDB Article PubMed | n/a | n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a |
University of Kansas Curated by ChEMBL | Assay Description Binding affinity to CYP2A6 (unknown origin) assessed as type 2 interaction as increase in absorbance 431 to 432 nm and decrease in 406 to 412 nm | Drug Metab Dispos 40: 1797-802 (2012) Article DOI: 10.1124/dmd.112.045161 BindingDB Entry DOI: 10.7270/Q2BK1F3P | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cytochrome P450 2A6 (Homo sapiens (Human)) | BDBM50101991 (CHEBI:6750 | CHEMBL3526658) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a |
University of Kansas Curated by ChEMBL | Assay Description Binding affinity to CYP2A6 (unknown origin) assessed as type 1 interaction as increase in absorbance 379 to 387 nm and decrease in 414 to 420 nm | Drug Metab Dispos 40: 1797-802 (2012) Article DOI: 10.1124/dmd.112.045161 BindingDB Entry DOI: 10.7270/Q2BK1F3P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2A6 (Homo sapiens (Human)) | BDBM50240850 ((2-Isothiocyanato-ethyl)-benzene | CHEMBL151649 | ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a |
University of Kansas Curated by ChEMBL | Assay Description Binding affinity to CYP2A6 (unknown origin) assessed as type 1 interaction as increase in absorbance 379 to 387 nm and decrease in 414 to 420 nm | Drug Metab Dispos 40: 1797-802 (2012) Article DOI: 10.1124/dmd.112.045161 BindingDB Entry DOI: 10.7270/Q2BK1F3P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2A6 (Homo sapiens (Human)) | BDBM50041234 (6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank MMDB PDB Article PubMed | n/a | n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a |
University of Kansas Curated by ChEMBL | Assay Description Binding affinity to CYP2A6 (unknown origin) assessed as type 1 interaction as increase in absorbance 379 to 387 nm and decrease in 414 to 420 nm | Drug Metab Dispos 40: 1797-802 (2012) Article DOI: 10.1124/dmd.112.045161 BindingDB Entry DOI: 10.7270/Q2BK1F3P | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cytochrome P450 2A6 (Homo sapiens (Human)) | BDBM109750 (US8609708, 19 β-Nicotyrine | US8609708, 19 be...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 7.10E+4 | n/a | n/a | n/a | n/a | n/a |
University of Kansas Curated by ChEMBL | Assay Description Binding affinity to CYP2A6 (unknown origin) assessed as type 1 interaction as increase in absorbance 379 to 387 nm and decrease in 414 to 420 nm | Drug Metab Dispos 40: 1797-802 (2012) Article DOI: 10.1124/dmd.112.045161 BindingDB Entry DOI: 10.7270/Q2BK1F3P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2A6 (Homo sapiens (Human)) | BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | 4.70E+5 | n/a | n/a | n/a | n/a | n/a |
University of Kansas Curated by ChEMBL | Assay Description Binding affinity to CYP2A6 (unknown origin) assessed as type 1 interaction as increase in absorbance 379 to 387 nm and decrease in 414 to 420 nm | Drug Metab Dispos 40: 1797-802 (2012) Article DOI: 10.1124/dmd.112.045161 BindingDB Entry DOI: 10.7270/Q2BK1F3P | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |