Found 13 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent noradrenaline transporter' and Ligand = 'BDBM22418' 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 |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM22418
(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PubMed
| 108 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of [3H]DA uptake evaluated at the dopamine transporter |
Bioorg Med Chem Lett 13: 513-7 (2003)
BindingDB Entry DOI: 10.7270/Q2CJ8F1D |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(BOVINE) | BDBM22418
(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1 | KEGG
UniProtKB/SwissProt
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| PubMed
| 197 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 290: 761-7 (1999)
BindingDB Entry DOI: 10.7270/Q2HH6HNF |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM22418
(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1 | Reactome pathway KEGG
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| DrugBank PubMed
| 645 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]RT155 binding in HEK cells expressing human NET |
Bioorg Med Chem Lett 13: 4133-7 (2003)
BindingDB Entry DOI: 10.7270/Q2DJ5G67 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM22418
(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1 | Reactome pathway KEGG
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| DrugBank Article PubMed
| 830 | n/a | n/a | n/a | 385 | n/a | n/a | n/a | n/a |
Research Triangle Institute
| Assay Description Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt... |
J Med Chem 50: 3686-95 (2007)
Article DOI: 10.1021/jm0703035 BindingDB Entry DOI: 10.7270/Q25D8Q4T |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM22418
(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PubMed
| 830 | 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 Compound was tested for inhibition of [3H]5-HT binding to Serotonin transporter in HEK cells |
Bioorg Med Chem Lett 13: 2151-4 (2003)
BindingDB Entry DOI: 10.7270/Q2DN45K3 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM22418
(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1 | Reactome pathway KEGG
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| DrugBank Article PubMed
| 1.12E+3 | n/a | n/a | n/a | 835 | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
| Assay Description Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ... |
J Med Chem 52: 1530-9 (2009)
Article DOI: 10.1021/jm8010993 BindingDB Entry DOI: 10.7270/Q2MK6B7M |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM22418
(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1 | Reactome pathway KEGG
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| DrugBank Article PubMed
| 2.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from human NET expressed in HEK293 cell membranes |
J Med Chem 61: 9121-9131 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00542 BindingDB Entry DOI: 10.7270/Q2KH0QZ9 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM22418
(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1 | Reactome pathway KEGG
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| DrugBank Article PubMed
| 2.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description Binding affinity towards non-selective opiate receptor |
J Med Chem 60: 3109-3123 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00141 BindingDB Entry DOI: 10.7270/Q2Z60RBZ |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM22418
(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1 | Reactome pathway KEGG
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| DrugBank Article PubMed
| 1.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description Inhibition of [3H]mazindol binding to recombinant human NET expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addit... |
J Med Chem 60: 3109-3123 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00141 BindingDB Entry DOI: 10.7270/Q2Z60RBZ |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM22418
(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1 | Reactome pathway KEGG
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| DrugBank PubMed
| n/a | n/a | 186 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Medical Center
Curated by ChEMBL
| Assay Description The compound was tested for inhibition of [3H]norepinephrine uptake in HEK cells by expressing cDNA for human norepinephrine transporter |
Bioorg Med Chem Lett 10: 297-300 (2000)
BindingDB Entry DOI: 10.7270/Q29S1RKF |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM22418
(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
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DrugBank KEGG MMDB PC cid PC sid PDB UniChem
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| DrugBank PubMed
| n/a | n/a | 192 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description Inhibition of [3H]norepinephrine uptake in HEK cells expressing human NET |
Bioorg Med Chem Lett 13: 4133-7 (2003)
BindingDB Entry DOI: 10.7270/Q2DJ5G67 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM22418
(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| n/a | n/a | 221 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description Binding affinity towards non-selective opiate receptor |
J Med Chem 60: 3109-3123 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00141 BindingDB Entry DOI: 10.7270/Q2Z60RBZ |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM22418
(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
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DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| DrugBank PubMed
| n/a | n/a | 385 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Compound was tested for inhibition of [125I]-RTI-55 binding to norepinephrine transporter HEK cells |
Bioorg Med Chem Lett 13: 2151-4 (2003)
BindingDB Entry DOI: 10.7270/Q2DN45K3 |
More data for this Ligand-Target Pair | |