Found 35 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin 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 serotonin transporter
(Rattus norvegicus (rat)) | 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 | PDB
KEGG
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| 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Inhibition of 0.2 nM [3H]paroxetine binding to Serotonin transporter |
Bioorg Med Chem Lett 10: 2445-7 (2001)
BindingDB Entry DOI: 10.7270/Q2474BCV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | 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 | PDB
KEGG
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| 96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Inhibition of [3H]paroxetine binding at serotonin transporter was determined |
J Med Chem 46: 1775-94 (2003)
Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | 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 | PDB
KEGG
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| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Institute
Curated by ChEMBL
| Assay Description Inhibition of [125I]RTI-55 binding to Serotonin transporter of rat caudate membranes |
Bioorg Med Chem Lett 12: 2225-8 (2002)
BindingDB Entry DOI: 10.7270/Q2DZ08T2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | 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 | PDB
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| 155 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Medical Center
Curated by ChEMBL
| Assay Description Ability to inhibit reuptake of serotonin ([3H]5-HT) at serotonin transporter of rat midbrian |
Bioorg Med Chem Lett 13: 3565-9 (2003)
BindingDB Entry DOI: 10.7270/Q26110WV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin 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 | PDB
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| 155 | 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]-5-HT uptake evaluated at the Serotonin transporter |
Bioorg Med Chem Lett 13: 513-7 (2003)
BindingDB Entry DOI: 10.7270/Q2CJ8F1D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | 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 | PDB
KEGG
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| 155 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Medical Center
Curated by ChEMBL
| Assay Description Displacement of [3H]5-HT from serotonin transporter of rat brain |
Bioorg Med Chem Lett 11: 2079-83 (2001)
BindingDB Entry DOI: 10.7270/Q28P6114 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | 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 | PDB
KEGG
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| 155 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Medical Center
Curated by ChEMBL
| Assay Description Inhibition of [3H]5-HT reuptake at serotonin transporter in rat mid brain |
Bioorg Med Chem Lett 12: 993-5 (2002)
BindingDB Entry DOI: 10.7270/Q20K294R |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | 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 | PDB
KEGG
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| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Medical Center
Curated by ChEMBL
| Assay Description Inhibition of [3H]5-HT uptake at Serotonin transporter in rat mid brain |
Bioorg Med Chem Lett 11: 1113-8 (2001)
BindingDB Entry DOI: 10.7270/Q24M952F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | 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 | PDB
KEGG
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| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Medical Center
Curated by ChEMBL
| Assay Description Inhibition of [3H]5-HT uptake at striatal nerve endings by serotonin transporter |
Bioorg Med Chem Lett 9: 3325-8 (2000)
BindingDB Entry DOI: 10.7270/Q2RB754D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | 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 | PDB
KEGG
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| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Medical Center
Curated by ChEMBL
| Assay Description Compound was tested for its ability to inhibit high affinity uptake of [3H]5-HT into mid brain nerve endings (synaptosomes) in rat |
Bioorg Med Chem Lett 10: 1443-6 (2000)
BindingDB Entry DOI: 10.7270/Q2CZ37PP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin 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 | PDB
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| 229 | 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 Concentration required to inhibit binding of ICAM-1 to LFA-1 (Leukocyte function-associated antigen-1), evaluated ELISA |
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 | 3D Structure (crystal) |
Sodium-dependent serotonin 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 | PDB
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| 276 | -37.1 | n/a | n/a | 416 | n/a | n/a | 7.4 | 22 |
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 | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | 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 | PDB
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| 293 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse--Intramural Research Program
Curated by ChEMBL
| Assay Description Displacement of [3H]-citalopram from serotonin transporter of rat brain membrane |
Bioorg Med Chem Lett 14: 3295-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.075 BindingDB Entry DOI: 10.7270/Q2F76D43 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin 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 | PDB
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| 297 | 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 SERT |
Bioorg Med Chem Lett 13: 4133-7 (2003)
BindingDB Entry DOI: 10.7270/Q2DJ5G67 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | 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 | PDB
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| 304 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIH
Curated by PDSP Ki Database
| |
Synapse 39: 32-41 (2001)
Article DOI: 10.1002/1098-2396(20010101)39:1 BindingDB Entry DOI: 10.7270/Q2NV9GT3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | 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 | PDB
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| 389 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novo Industri A/S
Curated by PDSP Ki Database
| |
Eur J Pharmacol 166: 493-504 (1989)
Article DOI: 10.1016/0014-2999(89)90363-4 BindingDB Entry DOI: 10.7270/Q28C9TR3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | 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 | PDB
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| 401 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mercer University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 301: 527-35 (2002)
Article DOI: 10.1124/jpet.301.2.527 BindingDB Entry DOI: 10.7270/Q2C53JFB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | 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 | PDB
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| 413 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Medical Center
Curated by ChEMBL
| Assay Description Inhibition of [3H]DA binding to dopamine transporter of rat brain synaptosomes |
Bioorg Med Chem Lett 10: 1681-6 (2000)
BindingDB Entry DOI: 10.7270/Q2MG7Q0C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin 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 | PDB
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| 601 | n/a | n/a | n/a | 318 | 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 | 3D Structure (crystal) |
Sodium-dependent serotonin 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 | PDB
KEGG
UniProtKB/SwissProt
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| DrugBank PDB PubMed
| 601 | 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]DA binding to Dopamine 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 | 3D Structure (crystal) |
Sodium-dependent serotonin 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 | PDB
KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| 632 | 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 SERT 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 | 3D Structure (crystal) |
Sodium-dependent serotonin 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 | PDB
KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| 657 | 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 [125I]RTI-55 binding to recombinant human SERT expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addi... |
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 | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | 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 | PDB
KEGG
UniProtKB/SwissProt
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| PDB PubMed
| n/a | n/a | 207 | n/a | n/a | n/a | n/a | n/a | n/a |
Research Biochemicals Inc.
Curated by ChEMBL
| Assay Description Compound was tested for binding affinity to Serotonin transporter sites in homogenates prepared from rat cortical membranes using [3H]paroxetine as r... |
J Med Chem 34: 3144-6 (1991)
BindingDB Entry DOI: 10.7270/Q23R0TGB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin 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 | PDB
KEGG
UniProtKB/SwissProt
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| DrugBank PDB PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc
Curated by ChEMBL
| Assay Description Inhibition of [3H]citalopram binding to serotonin transporter (SERT) of cynomolgus monkey caudate-putamen |
Bioorg Med Chem Lett 9: 857-62 (1999)
BindingDB Entry DOI: 10.7270/Q26D5TGQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin 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 | PDB
KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | 277 | 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 recombinant human SERT expressed in HEK293 cell membranes assessed as reduction in [3H]5-HT uptake incubated for 22 mins by micro beta ... |
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 | 3D Structure (crystal) |
Sodium-dependent serotonin 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 | PDB
KEGG
UniProtKB/SwissProt
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| DrugBank PDB PubMed
| n/a | n/a | 318 | 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 | 3D Structure (crystal) |
Sodium-dependent serotonin 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 | PDB
KEGG
UniProtKB/SwissProt
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| DrugBank PDB PubMed
| n/a | n/a | 325 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description Inhibition of [3H]dopamine uptake in HEK cells expressing human DAT |
Bioorg Med Chem Lett 13: 4133-7 (2003)
BindingDB Entry DOI: 10.7270/Q2DJ5G67 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin 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 | PDB
KEGG
UniProtKB/SwissProt
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| DrugBank PDB PubMed
| n/a | n/a | 413 | 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]-5-hydroxy tryptamine uptake in HEK cells by expressing cDNA for human tryptamine transporter |
Bioorg Med Chem Lett 10: 297-300 (2000)
BindingDB Entry DOI: 10.7270/Q29S1RKF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | 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 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
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DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| PDB PubMed
| n/a | n/a | 737 | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description Inhibition of binding of [3H]citalopram to (SERT) serotonin transporter in rat striatum |
Bioorg Med Chem Lett 13: 1591-5 (2003)
BindingDB Entry DOI: 10.7270/Q2J38T3X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | 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 | PDB
KEGG
UniProtKB/SwissProt
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DrugBank KEGG MMDB PC cid PC sid PDB UniChem
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| PDB PubMed
| n/a | n/a | 737 | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description Binding affinity was evaluated by measuring the inhibition of [3H]WIN-35428 binding to Dopamine transporter in rat brain tissue |
Bioorg Med Chem Lett 11: 2337-40 (2001)
BindingDB Entry DOI: 10.7270/Q2WH2QH1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | 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 | PDB
KEGG
UniProtKB/SwissProt
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| PDB Article
| n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for its ability to inhibit the neurotransmitter serotonin-5-HT reuptake system using [3H]5-HT as radioligand |
Bioorg Med Chem Lett 7: 2559-2564 (1997)
Article DOI: 10.1016/S0960-894X(97)10053-1 BindingDB Entry DOI: 10.7270/Q2M61KQ3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | 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 | PDB
KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Inhibition of [3H]paroxetine binding at serotonin transporter was determined |
J Med Chem 46: 1775-94 (2003)
Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | 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 | PDB
KEGG
UniProtKB/SwissProt
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| PDB PubMed
| n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Inhibitory activity against radioligand [3H]paroxetine binding at the serotonin transporter |
Bioorg Med Chem Lett 8: 3689-92 (1999)
BindingDB Entry DOI: 10.7270/Q22Z162N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | 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 | PDB
KEGG
UniProtKB/SwissProt
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| PDB PubMed
| n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Inhibition of 0.2 nM [3H]paroxetine binding to Serotonin transporter |
Bioorg Med Chem Lett 10: 2445-7 (2001)
BindingDB Entry DOI: 10.7270/Q2474BCV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | 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 | PDB
KEGG
UniProtKB/SwissProt
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| PDB PubMed
| n/a | n/a | 1.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Inhibition of [3H]paroxetine binding to Serotonin transporter |
J Med Chem 35: 2497-500 (1992)
BindingDB Entry DOI: 10.7270/Q2736RJC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |