Found 768 hits with Last Name = 'dent' and Initial = 't' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50188136
((3aS,8R,8aS)-6,7-dichloro-8-methyl-1,2,3,3a,8,8a-h...)Show InChI InChI=1S/C12H13Cl2N/c1-6-8-4-15-5-9(8)7-2-3-10(13)12(14)11(6)7/h2-3,6,8-9,15H,4-5H2,1H3/t6-,8+,9-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2C |
Bioorg Med Chem Lett 16: 4130-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.070 BindingDB Entry DOI: 10.7270/Q23T9GTS |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50188139
((3aS,8R,8aS)-6-chloro-5-methoxy-8-methyl-1,2,3,3a,...)Show InChI InChI=1S/C13H16ClNO/c1-7-8-3-12(14)13(16-2)4-9(8)11-6-15-5-10(7)11/h3-4,7,10-11,15H,5-6H2,1-2H3/t7-,10-,11+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
Athersys, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2C |
Bioorg Med Chem Lett 16: 4130-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.070 BindingDB Entry DOI: 10.7270/Q23T9GTS |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM12341
(CHEMBL178681 | CHEMBL359657 | US8609708, 1 | US860...)Show InChI InChI=1S/C10H10N2S/c11-6-9-3-4-10(13-9)8-2-1-5-12-7-8/h1-5,7H,6,11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6 |
J Med Chem 48: 224-39 (2005)
Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50188144
((3aS,8R,8aS)-6-bromo-5-methoxy-8-methyl-1,2,3,3a,8...)Show InChI InChI=1S/C13H16BrNO/c1-7-8-3-12(14)13(16-2)4-9(8)11-6-15-5-10(7)11/h3-4,7,10-11,15H,5-6H2,1-2H3/t7-,10-,11+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2C |
Bioorg Med Chem Lett 16: 4130-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.070 BindingDB Entry DOI: 10.7270/Q23T9GTS |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50188140
((3aS,8R,8aS)-6-chloro-8-methyl-1,2,3,3a,8,8a-hexah...)Show InChI InChI=1S/C12H14ClNO/c1-6-7-2-11(13)12(15)3-8(7)10-5-14-4-9(6)10/h2-3,6,9-10,14-15H,4-5H2,1H3/t6-,9-,10+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2C |
Bioorg Med Chem Lett 16: 4130-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.070 BindingDB Entry DOI: 10.7270/Q23T9GTS |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM12345
(CHEMBL178090 | US8609708, 2 | US8609708, 47 | [5-(...)Show InChI InChI=1S/C10H10N2O/c11-6-9-3-4-10(13-9)8-2-1-5-12-7-8/h1-5,7H,6,11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6 |
J Med Chem 48: 224-39 (2005)
Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM12341
(CHEMBL178681 | CHEMBL359657 | US8609708, 1 | US860...)Show InChI InChI=1S/C10H10N2S/c11-6-9-3-4-10(13-9)8-2-1-5-12-7-8/h1-5,7H,6,11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 80 | -42.1 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Human BioMolecular Research Institute
| Assay Description To measure CYP2A6 activity, coumarin 7-hydroxylation was determined. The formation of the coumarin metabolite, 7-hydroxycoumarin, was determined fluo... |
J Med Chem 49: 6987-7001 (2006)
Article DOI: 10.1021/jm060519r BindingDB Entry DOI: 10.7270/Q2513WF7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM12348
(3-(pyridin-3-yl)prop-2-yn-1-amine | CHEMBL360541 |...)Show InChI InChI=1S/C8H8N2/c9-5-1-3-8-4-2-6-10-7-8/h2,4,6-7H,5,9H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6 |
J Med Chem 48: 224-39 (2005)
Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM12351
(3-(3-methylthiophen-2-yl)pyridine | CHEMBL179669 |...)Show InChI InChI=1S/C10H9NS/c1-8-4-6-12-10(8)9-3-2-5-11-7-9/h2-7H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6 |
J Med Chem 48: 224-39 (2005)
Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM12345
(CHEMBL178090 | US8609708, 2 | US8609708, 47 | [5-(...)Show InChI InChI=1S/C10H10N2O/c11-6-9-3-4-10(13-9)8-2-1-5-12-7-8/h1-5,7H,6,11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 100 | -41.6 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Human BioMolecular Research Institute
| Assay Description To measure CYP2A6 activity, coumarin 7-hydroxylation was determined. The formation of the coumarin metabolite, 7-hydroxycoumarin, was determined fluo... |
J Med Chem 49: 6987-7001 (2006)
Article DOI: 10.1021/jm060519r BindingDB Entry DOI: 10.7270/Q2513WF7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50188143
((+/-)-(3aS,8aS)-5,6-dichloro-8-methyl-1,2,3,3a,8,8...)Show InChI InChI=1S/C12H13Cl2N/c1-6-7-2-11(13)12(14)3-8(7)10-5-15-4-9(6)10/h2-3,6,9-10,15H,4-5H2,1H3/t6?,9-,10+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 103 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2C |
Bioorg Med Chem Lett 16: 4130-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.070 BindingDB Entry DOI: 10.7270/Q23T9GTS |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50188134
((+/-)-(3aS,8aS)-6-chloro-5,8-dimethyl-1,2,3,3a,8,8...)Show InChI InChI=1S/C13H16ClN/c1-7-3-10-9(4-13(7)14)8(2)11-5-15-6-12(10)11/h3-4,8,11-12,15H,5-6H2,1-2H3/t8?,11-,12+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 107 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2C |
Bioorg Med Chem Lett 16: 4130-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.070 BindingDB Entry DOI: 10.7270/Q23T9GTS |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM12352
(3-(1-methyl-1H-imidazol-4-yl)pyridine | CHEMBL3609...)Show InChI InChI=1S/C9H9N3/c1-12-6-9(11-7-12)8-3-2-4-10-5-8/h2-7H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6 |
J Med Chem 48: 224-39 (2005)
Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM50158920
(3-(3-Methyl-1H-imidazol-4-yl)-pyridine | CHEMBL179...)Show InChI InChI=1S/C9H9N3/c1-12-7-11-6-9(12)8-3-2-4-10-5-8/h2-7H,1H3/p+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6 |
J Med Chem 48: 224-39 (2005)
Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50188127
((3aS,8R,8aS)-5-chloro-6,8-dimethyl-1,2,3,3a,8,8a-h...)Show InChI InChI=1S/C13H16ClN/c1-7-3-9-8(2)11-5-15-6-12(11)10(9)4-13(7)14/h3-4,8,11-12,15H,5-6H2,1-2H3/t8-,11-,12+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 134 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2C |
Bioorg Med Chem Lett 16: 4130-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.070 BindingDB Entry DOI: 10.7270/Q23T9GTS |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50188129
((3aS,8R,8aS)-5,6-dichloro-8-methyl-1,2,3,3a,8,8a-h...)Show InChI InChI=1S/C12H13Cl2N/c1-6-7-2-11(13)12(14)3-8(7)10-5-15-4-9(6)10/h2-3,6,9-10,15H,4-5H2,1H3/t6-,9-,10+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 155 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2C |
Bioorg Med Chem Lett 16: 4130-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.070 BindingDB Entry DOI: 10.7270/Q23T9GTS |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50188137
((3aS,8R,8aS)-6-chloro-5,8-dimethyl-1,2,3,3a,8,8a-h...)Show InChI InChI=1S/C13H16ClN/c1-7-3-10-9(4-13(7)14)8(2)11-5-15-6-12(10)11/h3-4,8,11-12,15H,5-6H2,1-2H3/t8-,11-,12+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 155 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2C |
Bioorg Med Chem Lett 16: 4130-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.070 BindingDB Entry DOI: 10.7270/Q23T9GTS |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM50158922
(3-(4-Methyl-imidazol-1-yl)-pyridine | CHEMBL178781)Show InChI InChI=1S/C9H9N3/c1-8-6-12(7-11-8)9-3-2-4-10-5-9/h2-7H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6 |
J Med Chem 48: 224-39 (2005)
Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM50158946
(3-Methyl-5-(4-methyl-thiophen-3-yl)-pyridine | CHE...)Show InChI InChI=1S/C11H11NS/c1-8-3-10(5-12-4-8)11-7-13-6-9(11)2/h3-7H,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6 |
J Med Chem 48: 224-39 (2005)
Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM12343
(CHEMBL369285 | US8609708, 9 | methyl({[5-(pyridin-...)Show InChI InChI=1S/C11H12N2S/c1-12-8-10-4-5-11(14-10)9-3-2-6-13-7-9/h2-7,12H,8H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6 |
J Med Chem 48: 224-39 (2005)
Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50188142
((+/-)-(3aS,8aS)-5-bromo-6,8-dimethyl-1,2,3,3a,8,8a...)Show InChI InChI=1S/C13H16BrN/c1-7-3-9-8(2)11-5-15-6-12(11)10(9)4-13(7)14/h3-4,8,11-12,15H,5-6H2,1-2H3/t8?,11-,12+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 207 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2C |
Bioorg Med Chem Lett 16: 4130-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.070 BindingDB Entry DOI: 10.7270/Q23T9GTS |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM12354
(2-fluoro-5-(3-methylthiophen-2-yl)pyridine | CHEMB...)Show InChI InChI=1S/C10H8FNS/c1-7-4-5-13-10(7)8-2-3-9(11)12-6-8/h2-6H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6 |
J Med Chem 48: 224-39 (2005)
Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM12355
(3-(thiophen-3-yl)pyridine | CHEMBL361153 | US86097...)Show InChI InChI=1S/C9H7NS/c1-2-8(6-10-4-1)9-3-5-11-7-9/h1-7H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6 |
J Med Chem 48: 224-39 (2005)
Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM50158914
(3-(1-Benzyl-1H-imidazol-4-yl)-pyridine | CHEMBL178...)Show InChI InChI=1S/C15H13N3/c1-2-5-13(6-3-1)10-18-11-15(17-12-18)14-7-4-8-16-9-14/h1-9,11-12H,10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6 |
J Med Chem 48: 224-39 (2005)
Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50188146
((3aS,8R,8aS)-6-chloro-5-ethoxy-8-methyl-1,2,3,3a,8...)Show InChI InChI=1S/C14H18ClNO/c1-3-17-14-5-10-9(4-13(14)15)8(2)11-6-16-7-12(10)11/h4-5,8,11-12,16H,3,6-7H2,1-2H3/t8-,11-,12+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 231 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2C |
Bioorg Med Chem Lett 16: 4130-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.070 BindingDB Entry DOI: 10.7270/Q23T9GTS |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM50158923
(5-Pyridin-3-yl-thiophene-2-carbaldehyde oxime | CH...)Show InChI InChI=1S/C10H8N2OS/c13-12-7-9-3-4-10(14-9)8-2-1-5-11-6-8/h1-6H,7H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6 |
J Med Chem 48: 224-39 (2005)
Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM12357
(3-(1H-imidazol-4-yl)pyridine | CHEMBL178516 | JMC5...)Show InChI InChI=1S/C8H7N3/c1-2-7(4-9-3-1)8-5-10-6-11-8/h1-6H,(H,10,11) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6 |
J Med Chem 48: 224-39 (2005)
Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM12356
(3-(2-methyl-1H-imidazol-1-yl)pyridine | CHEMBL3688...)Show InChI InChI=1S/C9H9N3/c1-8-11-5-6-12(8)9-3-2-4-10-7-9/h2-7H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6 |
J Med Chem 48: 224-39 (2005)
Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM12358
(3-(4-methylthiophen-3-yl)pyridine | CHEMBL179704 |...)Show InChI InChI=1S/C10H9NS/c1-8-6-12-7-10(8)9-3-2-4-11-5-9/h2-7H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6 |
J Med Chem 48: 224-39 (2005)
Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM12346
(CHEMBL178938 | US8609708,16 | methyl({[5-(pyridin-...)Show InChI InChI=1S/C11H12N2O/c1-12-8-10-4-5-11(14-10)9-3-2-6-13-7-9/h2-7,12H,8H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6 |
J Med Chem 48: 224-39 (2005)
Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM12348
(3-(pyridin-3-yl)prop-2-yn-1-amine | CHEMBL360541 |...)Show InChI InChI=1S/C8H8N2/c9-5-1-3-8-4-2-6-10-7-8/h2,4,6-7H,5,9H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 300 | -38.7 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Human BioMolecular Research Institute
| Assay Description To measure CYP2A6 activity, coumarin 7-hydroxylation was determined. The formation of the coumarin metabolite, 7-hydroxycoumarin, was determined fluo... |
J Med Chem 49: 6987-7001 (2006)
Article DOI: 10.1021/jm060519r BindingDB Entry DOI: 10.7270/Q2513WF7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM12351
(3-(3-methylthiophen-2-yl)pyridine | CHEMBL179669 |...)Show InChI InChI=1S/C10H9NS/c1-8-4-6-12-10(8)9-3-2-5-11-7-9/h2-7H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 300 | -38.7 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Human BioMolecular Research Institute
| Assay Description To measure CYP2A6 activity, coumarin 7-hydroxylation was determined. The formation of the coumarin metabolite, 7-hydroxycoumarin, was determined fluo... |
J Med Chem 49: 6987-7001 (2006)
Article DOI: 10.1021/jm060519r BindingDB Entry DOI: 10.7270/Q2513WF7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM12370
((3-(Pyridin-3-yl)-1H-pyrazol-5-yl)methanamine | [3...)Show InChI InChI=1S/C9H10N4/c10-5-8-4-9(13-12-8)7-2-1-3-11-6-7/h1-4,6H,5,10H2,(H,12,13) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
| Assay Description To measure CYP2A6 activity, coumarin 7-hydroxylation was determined. The formation of the coumarin metabolite, 7-hydroxycoumarin, was determined fluo... |
J Med Chem 49: 6987-7001 (2006)
Article DOI: 10.1021/jm060519r BindingDB Entry DOI: 10.7270/Q2513WF7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM12352
(3-(1-methyl-1H-imidazol-4-yl)pyridine | CHEMBL3609...)Show InChI InChI=1S/C9H9N3/c1-12-6-9(11-7-12)8-3-2-4-10-5-8/h2-7H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 400 | -38.0 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Human BioMolecular Research Institute
| Assay Description To measure CYP2A6 activity, coumarin 7-hydroxylation was determined. The formation of the coumarin metabolite, 7-hydroxycoumarin, was determined fluo... |
J Med Chem 49: 6987-7001 (2006)
Article DOI: 10.1021/jm060519r BindingDB Entry DOI: 10.7270/Q2513WF7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM12371
((3-(Pyridin-3-yl)isoxazol-5-yl)methanamine Dihydro...)Show InChI InChI=1S/C9H9N3O/c10-5-8-4-9(12-13-8)7-2-1-3-11-6-7/h1-4,6H,5,10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
| Assay Description To measure CYP2A6 activity, coumarin 7-hydroxylation was determined. The formation of the coumarin metabolite, 7-hydroxycoumarin, was determined fluo... |
J Med Chem 49: 6987-7001 (2006)
Article DOI: 10.1021/jm060519r BindingDB Entry DOI: 10.7270/Q2513WF7 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50188130
((+/-)-(3aS,8aS)-6-bromo-5,8-dimethyl-1,2,3,3a,8,8a...)Show InChI InChI=1S/C13H16BrN/c1-7-3-10-9(4-13(7)14)8(2)11-5-15-6-12(10)11/h3-4,8,11-12,15H,5-6H2,1-2H3/t8?,11-,12+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 463 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2C |
Bioorg Med Chem Lett 16: 4130-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.070 BindingDB Entry DOI: 10.7270/Q23T9GTS |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50188128
((+/-)-(3aS,8aS)-5-chloro-6,8-dimethyl-1,2,3,3a,8,8...)Show InChI InChI=1S/C13H16ClN/c1-7-3-9-8(2)11-5-15-6-12(11)10(9)4-13(7)14/h3-4,8,11-12,15H,5-6H2,1-2H3/t8?,11-,12+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 465 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2C |
Bioorg Med Chem Lett 16: 4130-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.070 BindingDB Entry DOI: 10.7270/Q23T9GTS |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM12353
(3-(5-methyl-1H-imidazol-1-yl)pyridine | nicotine 3...)Show InChI InChI=1S/C9H9N3/c1-8-5-11-7-12(8)9-3-2-4-10-6-9/h2-7H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 500 | -37.4 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Human BioMolecular Research Institute
| Assay Description To measure CYP2A6 activity, coumarin 7-hydroxylation was determined. The formation of the coumarin metabolite, 7-hydroxycoumarin, was determined fluo... |
J Med Chem 49: 6987-7001 (2006)
Article DOI: 10.1021/jm060519r BindingDB Entry DOI: 10.7270/Q2513WF7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM50158928
(3-(1-Ethyl-1H-imidazol-4-yl)-pyridine | CHEMBL3613...)Show InChI InChI=1S/C10H11N3/c1-2-13-7-10(12-8-13)9-4-3-5-11-6-9/h3-8H,2H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6 |
J Med Chem 48: 224-39 (2005)
Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50188135
((+/-)-(3aS,8aS)-6-chloro-5-methoxy-8-methyl-1,2,3,...)Show InChI InChI=1S/C13H16ClNO/c1-7-8-3-12(14)13(16-2)4-9(8)11-6-15-5-10(7)11/h3-4,7,10-11,15H,5-6H2,1-2H3/t7?,10-,11+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Athersys, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2C |
Bioorg Med Chem Lett 16: 4130-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.070 BindingDB Entry DOI: 10.7270/Q23T9GTS |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM50158911
(CHEMBL179529 | Methyl-(5-pyridin-3-yl-thiophen-2-y...)Show InChI InChI=1S/C10H10N2S/c1-11-10-5-4-9(13-10)8-3-2-6-12-7-8/h2-7,11H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6 |
J Med Chem 48: 224-39 (2005)
Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM12343
(CHEMBL369285 | US8609708, 9 | methyl({[5-(pyridin-...)Show InChI InChI=1S/C11H12N2S/c1-12-8-10-4-5-11(14-10)9-3-2-6-13-7-9/h2-7,12H,8H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 600 | -36.9 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Human BioMolecular Research Institute
| Assay Description To measure CYP2A6 activity, coumarin 7-hydroxylation was determined. The formation of the coumarin metabolite, 7-hydroxycoumarin, was determined fluo... |
J Med Chem 49: 6987-7001 (2006)
Article DOI: 10.1021/jm060519r BindingDB Entry DOI: 10.7270/Q2513WF7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM12363
((5-Phenylfuran-2-yl)methanamine | nicotine 3-heter...)Show InChI InChI=1S/C11H11NO/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-7H,8,12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Patents
| Article PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
| Assay Description To measure CYP2A6 activity, coumarin 7-hydroxylation was determined. The formation of the coumarin metabolite, 7-hydroxycoumarin, was determined fluo... |
J Med Chem 49: 6987-7001 (2006)
Article DOI: 10.1021/jm060519r BindingDB Entry DOI: 10.7270/Q2513WF7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM12364
((5-Phenylthiophen-2-yl)methanamine | nicotine 3-he...)Show InChI InChI=1S/C11H11NS/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-7H,8,12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Patents
| Article PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
| Assay Description To measure CYP2A6 activity, coumarin 7-hydroxylation was determined. The formation of the coumarin metabolite, 7-hydroxycoumarin, was determined fluo... |
J Med Chem 49: 6987-7001 (2006)
Article DOI: 10.1021/jm060519r BindingDB Entry DOI: 10.7270/Q2513WF7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM12354
(2-fluoro-5-(3-methylthiophen-2-yl)pyridine | CHEMB...)Show InChI InChI=1S/C10H8FNS/c1-7-4-5-13-10(7)8-2-3-9(11)12-6-8/h2-6H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 600 | -36.9 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Human BioMolecular Research Institute
| Assay Description To measure CYP2A6 activity, coumarin 7-hydroxylation was determined. The formation of the coumarin metabolite, 7-hydroxycoumarin, was determined fluo... |
J Med Chem 49: 6987-7001 (2006)
Article DOI: 10.1021/jm060519r BindingDB Entry DOI: 10.7270/Q2513WF7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM109748
(CHEMBL179477 | US8609708, 22 | US8609708, 8)Show InChI InChI=1S/C8H7N3/c1-2-8(6-9-3-1)11-5-4-10-7-11/h1-7H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6 |
J Med Chem 48: 224-39 (2005)
Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM12356
(3-(2-methyl-1H-imidazol-1-yl)pyridine | CHEMBL3688...)Show InChI InChI=1S/C9H9N3/c1-8-11-5-6-12(8)9-3-2-4-10-7-9/h2-7H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 700 | -36.5 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Human BioMolecular Research Institute
| Assay Description To measure CYP2A6 activity, coumarin 7-hydroxylation was determined. The formation of the coumarin metabolite, 7-hydroxycoumarin, was determined fluo... |
J Med Chem 49: 6987-7001 (2006)
Article DOI: 10.1021/jm060519r BindingDB Entry DOI: 10.7270/Q2513WF7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM12355
(3-(thiophen-3-yl)pyridine | CHEMBL361153 | US86097...)Show InChI InChI=1S/C9H7NS/c1-2-8(6-10-4-1)9-3-5-11-7-9/h1-7H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 700 | -36.5 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Human BioMolecular Research Institute
| Assay Description To measure CYP2A6 activity, coumarin 7-hydroxylation was determined. The formation of the coumarin metabolite, 7-hydroxycoumarin, was determined fluo... |
J Med Chem 49: 6987-7001 (2006)
Article DOI: 10.1021/jm060519r BindingDB Entry DOI: 10.7270/Q2513WF7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM50158921
(5-Pyridin-3-yl-furan-2-carbaldehyde oxime | 5-Pyri...)Show InChI InChI=1S/C10H8N2O2/c13-12-7-9-3-4-10(14-9)8-2-1-5-11-6-8/h1-6H,7H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6 |
J Med Chem 48: 224-39 (2005)
Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM50158916
(5-Pyridin-3-yl-thiophene-2-carbaldehyde | CHEMBL17...)Show InChI InChI=1S/C10H7NOS/c12-7-9-3-4-10(13-9)8-2-1-5-11-6-8/h1-7H | PDB MMDB
Reactome pathway KEGG
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Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6 |
J Med Chem 48: 224-39 (2005)
Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB |
More data for this Ligand-Target Pair | |