Found 7156 hits of ki data for polymerid = 2253,2273,49000128 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 |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM364427
(US10913711, Compound 10a | US11555013, Compound 10...)Show InChI InChI=1S/C22H30N2O2S/c1-19(25)18-24-14-12-23(13-15-24)16-17-27(26)22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22,25H,12-18H2,1H3 | PDB
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| >0 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Serotonin Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ST7TRG |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50154364
((6R,10bS)-6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10...)Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19+/m1/s1 | PDB
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| 0.00900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Binding affinity for serotonin transporter expresed in LCK PK1 cells |
J Med Chem 47: 5258-64 (2004)
Article DOI: 10.1021/jm049917p BindingDB Entry DOI: 10.7270/Q2QJ7GRZ |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50110577
(2-(2-((dimethylamino)methyl)phenylthio)-5-iodoanil...)Show InChI InChI=1S/C15H17IN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3 | PDB
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| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Binding affinity for serotonin transporter expresed in LCK PK1 cells |
J Med Chem 47: 5258-64 (2004)
Article DOI: 10.1021/jm049917p BindingDB Entry DOI: 10.7270/Q2QJ7GRZ |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50109062
(3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-eth...)Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCOc4cccc5OCCOc45)CC3)c2c1 Show InChI InChI=1S/C24H27FN2O3/c25-19-4-5-21-20(15-19)18(16-26-21)14-17-6-8-27(9-7-17)10-11-28-22-2-1-3-23-24(22)30-13-12-29-23/h1-5,15-17,26H,6-14H2 | PDB
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| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research Laboratories
Curated by ChEMBL
| Assay Description Affinity of the compound for RB Serotonin transporter was determined in vitro by incubating compound |
Bioorg Med Chem Lett 12: 307-10 (2002)
BindingDB Entry DOI: 10.7270/Q2FJ2G2M |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM81987
(CHEMBL116048 | McN-5652-15)Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3 | PDB
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| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description In vitro binding affinity of the compound against Serotonin transporter (SERT) from LLC-PK1 cell membranes. |
J Med Chem 42: 333-5 (1999)
Article DOI: 10.1021/jm9806751 BindingDB Entry DOI: 10.7270/Q2TX3DJN |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50110577
(2-(2-((dimethylamino)methyl)phenylthio)-5-iodoanil...)Show InChI InChI=1S/C15H17IN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3 | PDB
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| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of [125I]IPT uptake at SERT (unknown origin) expressed in LLC-PK1 cell membranes |
Bioorg Med Chem Lett 23: 869-72 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.043 BindingDB Entry DOI: 10.7270/Q2V989DM |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50110577
(2-(2-((dimethylamino)methyl)phenylthio)-5-iodoanil...)Show InChI InChI=1S/C15H17IN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3 | PDB
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Emory University
Curated by ChEMBL
| Assay Description In vitro inhibition of [3H]-citalopram binding to human serotonin transporter expressed in human HEK-293 cells |
J Med Chem 48: 4254-65 (2005)
Article DOI: 10.1021/jm050079o BindingDB Entry DOI: 10.7270/Q20R9NZ1 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50110577
(2-(2-((dimethylamino)methyl)phenylthio)-5-iodoanil...)Show InChI InChI=1S/C15H17IN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3 | PDB
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University of Pennsylvania
Curated by ChEMBL
| Assay Description In vitro binding affinity of the compound in LLC-PK1 cells by SERT binding assay by using [125I]-IDAM as a radioligand |
J Med Chem 45: 4716-23 (2002)
BindingDB Entry DOI: 10.7270/Q23N22RJ |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50110577
(2-(2-((dimethylamino)methyl)phenylthio)-5-iodoanil...)Show InChI InChI=1S/C15H17IN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3 | PDB
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| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Binding affinity to SERT (unknown origin) |
Bioorg Med Chem Lett 23: 869-72 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.043 BindingDB Entry DOI: 10.7270/Q2V989DM |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50110577
(2-(2-((dimethylamino)methyl)phenylthio)-5-iodoanil...)Show InChI InChI=1S/C15H17IN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3 | PDB
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Inha University
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from rat cortical serotonin transporter (SERT) |
Bioorg Med Chem Lett 12: 811-5 (2002)
BindingDB Entry DOI: 10.7270/Q2S46SHN |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50160893
(8-Methyl-3-(4-thiophen-3-yl-phenyl)-8-aza-bicyclo[...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccsc1)N2C |TLB:23:22:4.10.9:6.7,THB:2:4:22:6.7,11:10:22:6.7| Show InChI InChI=1S/C20H23NO2S/c1-21-16-7-8-18(21)19(20(22)23-2)17(11-16)14-5-3-13(4-6-14)15-9-10-24-12-15/h3-6,9-10,12,16-19H,7-8,11H2,1-2H3 | PDB
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Yale University
Curated by ChEMBL
| Assay Description Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex |
Bioorg Med Chem Lett 15: 1131-3 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.014 BindingDB Entry DOI: 10.7270/Q2PK0GXK |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM22416
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1 | PDB
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Boots Pharmaceuticals
Curated by PDSP Ki Database
| |
Neuropharmacology 32: 737-43 (1993)
Article DOI: 10.1016/0028-3908(93)90181-2 BindingDB Entry DOI: 10.7270/Q22J69D4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50110578
(4-Chloro-6-nitro-2-piperazin-1-yl-quinoline | CHEM...)Show InChI InChI=1S/C13H13ClN4O2/c14-11-8-13(17-5-3-15-4-6-17)16-12-2-1-9(18(19)20)7-10(11)12/h1-2,7-8,15H,3-6H2 | PDB
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Inha University
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from rat cortical serotonin transporter (SERT) |
Bioorg Med Chem Lett 12: 811-5 (2002)
BindingDB Entry DOI: 10.7270/Q2S46SHN |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50109058
(1H-4-indolyl 2-[4-(1H-3-indolyl)-1,2,3,6-tetrahydr...)Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ccccc12)Oc1cccc2[nH]ccc12 |c:5| Show InChI InChI=1S/C23H23N3O/c1-2-5-21-18(4-1)20(16-25-21)17-9-12-26(13-10-17)14-15-27-23-7-3-6-22-19(23)8-11-24-22/h1-9,11,16,24-25H,10,12-15H2 | PDB
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Wyeth-Ayerst Research Laboratories
Curated by ChEMBL
| Assay Description Affinity of the compound for RB Serotonin transporter was determined in vitro by incubating compound |
Bioorg Med Chem Lett 12: 307-10 (2002)
BindingDB Entry DOI: 10.7270/Q2FJ2G2M |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50228440
(5-chloro-2-(2-((dimethylamino)methyl)-4-(2-fluoroe...)Show InChI InChI=1S/C17H20ClFN2OS/c1-21(2)11-12-9-14(22-8-7-19)4-6-16(12)23-17-5-3-13(18)10-15(17)20/h3-6,9-10H,7-8,11,20H2,1-2H3 | PDB
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University of Pennsylvania
Curated by ChEMBL
| Assay Description Displacement of [125I]5-iodo-2-[[2,2-[(dimethylamino)methyl]phenyl]thio]benzyl alcohol from SERT expressed in LLCPK1 cells |
J Med Chem 50: 6673-84 (2007)
Article DOI: 10.1021/jm070685e BindingDB Entry DOI: 10.7270/Q22B8XRR |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50425189
(CHEMBL2314217)Show InChI InChI=1S/C16H18INOS/c1-18(2)10-13-9-14(17)7-8-16(13)20-15-6-4-3-5-12(15)11-19/h3-9,19H,10-11H2,1-2H3 | PDB
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University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of [125I]IDAM uptake at SERT (unknown origin) expressed in LLC-PK1 cell membranes |
Bioorg Med Chem Lett 23: 869-72 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.043 BindingDB Entry DOI: 10.7270/Q2V989DM |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM22416
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1 | PDB
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Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding inhibition towards human serotonin transporter |
J Med Chem 48: 6023-34 (2005)
Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50139957
(2beta-carbomethoxy-3beta-[4'-((Z)-2-iodoethenyl)ph...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(\C=C/I)cc1)N2 |THB:2:4:20:6.7| Show InChI InChI=1S/C17H20INO2/c1-21-17(20)16-14(10-13-6-7-15(16)19-13)12-4-2-11(3-5-12)8-9-18/h2-5,8-9,13-16,19H,6-7,10H2,1H3/b9-8- | PDB
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Emory University
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from SERT |
J Med Chem 49: 942-6 (2006)
Article DOI: 10.1021/jm050799v BindingDB Entry DOI: 10.7270/Q2RV0N8H |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM22416
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1 | PDB
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McGill University
Curated by PDSP Ki Database
| |
Eur J Pharmacol 349: 129-32 (1998)
Article DOI: 10.1016/s0014-2999(98)00241-6 BindingDB Entry DOI: 10.7270/Q279436B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50139956
(3-[4-((Z)-2-Bromo-vinyl)-phenyl]-8-aza-bicyclo[3.2...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(\C=C/Br)cc1)N2 |THB:2:4:20:6.7| Show InChI InChI=1S/C17H20BrNO2/c1-21-17(20)16-14(10-13-6-7-15(16)19-13)12-4-2-11(3-5-12)8-9-18/h2-5,8-9,13-16,19H,6-7,10H2,1H3/b9-8- | PDB
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Emory University
Curated by ChEMBL
| Assay Description Inhibition of [125I]-RTI-55 binding to human serotonin transporter expressed in human embryonic kidney cells |
J Med Chem 47: 1122-35 (2004)
Article DOI: 10.1021/jm030384e BindingDB Entry DOI: 10.7270/Q2154GG7 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM82217
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)Show SMILES CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m0/s1 | PDB
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University of Turku
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 126: 234-40 (1996)
Article DOI: 10.1007/bf02246453 BindingDB Entry DOI: 10.7270/Q2BP0192 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM82217
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)Show SMILES CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m0/s1 | PDB
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Boots Pharmaceuticals
Curated by PDSP Ki Database
| |
Neuropharmacology 32: 737-43 (1993)
Article DOI: 10.1016/0028-3908(93)90181-2 BindingDB Entry DOI: 10.7270/Q22J69D4 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50228439
(5-bromo-2-(2-((dimethylamino)methyl)-4-(2-fluoroet...)Show InChI InChI=1S/C17H20BrFN2OS/c1-21(2)11-12-9-14(22-8-7-19)4-6-16(12)23-17-5-3-13(18)10-15(17)20/h3-6,9-10H,7-8,11,20H2,1-2H3 | PDB
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| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Displacement of [125I]5-iodo-2-[[2,2-[(dimethylamino)methyl]phenyl]thio]benzyl alcohol from SERT expressed in LLCPK1 cells |
J Med Chem 50: 6673-84 (2007)
Article DOI: 10.1021/jm070685e BindingDB Entry DOI: 10.7270/Q22B8XRR |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50331515
(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1 | PDB
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University of New Orleans
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from serotonin transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting |
Bioorg Med Chem 18: 8356-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.060 BindingDB Entry DOI: 10.7270/Q2CN744P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50139957
(2beta-carbomethoxy-3beta-[4'-((Z)-2-iodoethenyl)ph...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(\C=C/I)cc1)N2 |THB:2:4:20:6.7| Show InChI InChI=1S/C17H20INO2/c1-21-17(20)16-14(10-13-6-7-15(16)19-13)12-4-2-11(3-5-12)8-9-18/h2-5,8-9,13-16,19H,6-7,10H2,1H3/b9-8- | PDB
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Emory University
Curated by ChEMBL
| Assay Description Inhibition of [125I]-RTI-55 binding to human serotonin transporter expressed in human embryonic kidney cells |
J Med Chem 47: 1122-35 (2004)
Article DOI: 10.1021/jm030384e BindingDB Entry DOI: 10.7270/Q2154GG7 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50139957
(2beta-carbomethoxy-3beta-[4'-((Z)-2-iodoethenyl)ph...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(\C=C/I)cc1)N2 |THB:2:4:20:6.7| Show InChI InChI=1S/C17H20INO2/c1-21-17(20)16-14(10-13-6-7-15(16)19-13)12-4-2-11(3-5-12)8-9-18/h2-5,8-9,13-16,19H,6-7,10H2,1H3/b9-8- | PDB
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Emory University
Curated by ChEMBL
| Assay Description Inhibition of [125I]-RTI-55 binding to human serotonin transporter expressed in human embryonic kidney cells |
J Med Chem 47: 1122-35 (2004)
Article DOI: 10.1021/jm030384e BindingDB Entry DOI: 10.7270/Q2154GG7 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM22416
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1 | PDB
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Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50119550
(5-Chloro-2-(2-dimethylaminomethyl-phenylsulfanyl)-...)Show InChI InChI=1S/C15H16ClFN2S/c1-19(2)9-10-5-3-4-6-14(10)20-15-8-12(17)11(16)7-13(15)18/h3-8H,9,18H2,1-2H3 | PDB
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University of Pennsylvania
Curated by ChEMBL
| Assay Description In vitro binding affinity of the compound in LLC-PK1 cells by SERT binding assay by using [125I]-IDAM as a radioligand |
J Med Chem 45: 4716-23 (2002)
BindingDB Entry DOI: 10.7270/Q23N22RJ |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50124564
(CHEMBL174088 | methyl 3-{4-[2-iodo-(Z)-1-ethenyl]p...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(\C=C/I)cc1)N2 |TLB:11:10:20:6.7,THB:2:4:20:6.7| Show InChI InChI=1S/C17H20INO2/c1-21-17(20)16-14(10-13-6-7-15(16)19-13)12-4-2-11(3-5-12)8-9-18/h2-5,8-9,13-16,19H,6-7,10H2,1H3/b9-8-/t13?,14-,15?,16+/m1/s1 | PDB
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Emory University
Curated by ChEMBL
| Assay Description In vitro competitive binding versus [3H]-citalopram in murine kidney cells transfected with cDNA for human serotonin transporter (SERT) |
J Med Chem 46: 925-35 (2003)
Article DOI: 10.1021/jm0100180 BindingDB Entry DOI: 10.7270/Q2W66K4V |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM77970
(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)Show InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3 | PDB
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Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50127388
(3-(4-Isopropenyl-phenyl)-8-aza-bicyclo[3.2.1]octan...)Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(cc1)C(C)=C)N2 |THB:2:4:20:6.7,11:10:20:6.7| Show InChI InChI=1S/C18H23NO2/c1-11(2)12-4-6-13(7-5-12)15-10-14-8-9-16(19-14)17(15)18(20)21-3/h4-7,14-17,19H,1,8-10H2,2-3H3/t14-,15-,16?,17?/m1/s1 | PDB
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| 0.0550 | 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 | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50111036
(Benzoic acid 9-(3-chloro-4-iodo-benzylidene)-7-aza...)Show SMILES Clc1cc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)ccc1I |TLB:13:12:5.6:8.24,THB:10:11:5.6:8.24| Show InChI InChI=1S/C24H23ClINO2/c25-21-11-15(6-8-22(21)26)10-17-13-27-18-7-9-23(27)20(19(17)12-18)14-29-24(28)16-4-2-1-3-5-16/h1-6,8,10-11,18-20,23H,7,9,12-14H2/b17-10+ | PDB
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Georgetown University Medical Center
Curated by ChEMBL
| Assay Description Inhibition of high affinity re-uptake of [3H]5-HT (serotonin) into nerve ending synaptosomes |
J Med Chem 45: 1930-41 (2002)
BindingDB Entry DOI: 10.7270/Q2M32WHG |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50106857
(3-(4-Iodo-phenyl)-8-aza-bicyclo[3.2.1]octane-2-car...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2 |THB:2:4:18:6.7| Show InChI InChI=1S/C15H18INO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3 | PDB
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Alcohol and Drug Abuse Research Center
Curated by ChEMBL
| Assay Description Ability to displace [3H]- paroxetine from Serotonin transporter in rat cerebral cortical homogenate |
Bioorg Med Chem Lett 11: 3049-53 (2001)
BindingDB Entry DOI: 10.7270/Q23N22PN |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM22416
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1 | PDB
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Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50111036
(Benzoic acid 9-(3-chloro-4-iodo-benzylidene)-7-aza...)Show SMILES Clc1cc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)ccc1I |TLB:13:12:5.6:8.24,THB:10:11:5.6:8.24| Show InChI InChI=1S/C24H23ClINO2/c25-21-11-15(6-8-22(21)26)10-17-13-27-18-7-9-23(27)20(19(17)12-18)14-29-24(28)16-4-2-1-3-5-16/h1-6,8,10-11,18-20,23H,7,9,12-14H2/b17-10+ | PDB
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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 | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50095611
(CHEMBL356750 | [3-(3,4-Dichloro-phenyl)-indan-1-yl...)Show SMILES CN(C)[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2N/c1-20(2)17-10-14(12-5-3-4-6-13(12)17)11-7-8-15(18)16(19)9-11/h3-9,14,17H,10H2,1-2H3/t14-,17+/m0/s1 | PDB
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Pharm-Eco Laboratories
Curated by ChEMBL
| Assay Description Binding affinity against cloned serotonin human transporter using 40-80 PM [125I]RTI |
J Med Chem 43: 4981-92 (2001)
BindingDB Entry DOI: 10.7270/Q2SX6DXD |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50095611
(CHEMBL356750 | [3-(3,4-Dichloro-phenyl)-indan-1-yl...)Show SMILES CN(C)[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H17Cl2N/c1-20(2)17-10-14(12-5-3-4-6-13(12)17)11-7-8-15(18)16(19)9-11/h3-9,14,17H,10H2,1-2H3/t14-,17+/m0/s1 | PDB
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Pharm-Eco Laboratories
Curated by ChEMBL
| Assay Description Binding affinity against cloned serotonin human transporter using 40-80 PM [125I]RTI |
J Med Chem 43: 4981-92 (2001)
BindingDB Entry DOI: 10.7270/Q2SX6DXD |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50303312
(3-alpha-(4-Dichlorophenyl)methoxy-3-beta-phenyl-no...)Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccccc2)cc1Cl |TLB:6:7:14:10.11,THB:15:7:14:10.11| Show InChI InChI=1S/C20H21Cl2NO/c21-18-9-6-14(10-19(18)22)13-24-20(15-4-2-1-3-5-15)11-16-7-8-17(12-20)23-16/h1-6,9-10,16-17,23H,7-8,11-13H2 | PDB
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| 0.0610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Orleans
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from SERT in rat brain |
Bioorg Med Chem Lett 19: 6865-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50106857
(3-(4-Iodo-phenyl)-8-aza-bicyclo[3.2.1]octane-2-car...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2 |THB:2:4:18:6.7| Show InChI InChI=1S/C15H18INO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3 | PDB
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| 0.0620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yale School of Medicine
Curated by ChEMBL
| Assay Description Binding affinity to serotonin transporter (SERT) in rat forebrain tissue |
Bioorg Med Chem Lett 14: 2117-20 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.043 BindingDB Entry DOI: 10.7270/Q2WS8SQK |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50127395
(3-(4-Ethyl-3-iodo-phenyl)-8-aza-bicyclo[3.2.1]octa...)Show SMILES CCc1ccc(cc1I)[C@H]1C[C@H]2CCC(N2)C1C(=O)OC |THB:5:9:15:13.12,17:16:15:13.12| Show InChI InChI=1S/C17H22INO2/c1-3-10-4-5-11(8-14(10)18)13-9-12-6-7-15(19-12)16(13)17(20)21-2/h4-5,8,12-13,15-16,19H,3,6-7,9H2,1-2H3/t12-,13-,15?,16?/m1/s1 | PDB
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| 0.0630 | 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 | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50183152
(CHEMBL206580 | N-(4-(trifluoromethyl)benzyl)-N-iso...)Show InChI InChI=1S/C17H25F3N2/c1-13(2)11-22(16-7-9-21-10-8-16)12-14-3-5-15(6-4-14)17(18,19)20/h3-6,13,16,21H,7-12H2,1-2H3 | PDB
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Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from SERT |
Bioorg Med Chem Lett 16: 2714-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.008 BindingDB Entry DOI: 10.7270/Q2SF2VR6 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50136680
(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3 | PDB
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Emory University
Curated by PDSP Ki Database
| |
Biol Psychiatry 55: 320-2 (2004)
Article DOI: 10.1016/j.biopsych.2003.07.006 BindingDB Entry DOI: 10.7270/Q2K64GMB |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50130172
(1-(3-Benzo[b]thiophen-2-yl-8-aza-bicyclo[3.2.1]oct...)Show SMILES O[C@H](COc1cccc2[nH]ccc12)CN1[C@H]2CC[C@@H]1C[C@H](C2)c1cc2ccccc2s1 |THB:13:14:20.19.21:16.17| Show InChI InChI=1S/C26H28N2O2S/c29-21(16-30-24-6-3-5-23-22(24)10-11-27-23)15-28-19-8-9-20(28)13-18(12-19)26-14-17-4-1-2-7-25(17)31-26/h1-7,10-11,14,18-21,27,29H,8-9,12-13,15-16H2/t18-,19-,20+,21-/m0/s1 | PDB
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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description In vitro affinity of the compound at the 5-HT reuptake site using [3H]-paroxetine as radioligand in rat frontal cortex membranes |
Bioorg Med Chem Lett 13: 2393-7 (2003)
BindingDB Entry DOI: 10.7270/Q2Z31Z1R |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM22416
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1 | PDB
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DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article
| 0.0770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Evaluated for affinity at 5-HT uptake site using [3H]paroxetine as radioligand in radioligand binding assay |
Bioorg Med Chem Lett 5: 2287-2292 (1995)
Article DOI: 10.1016/0960-894X(95)00398-D BindingDB Entry DOI: 10.7270/Q2T72HZ0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM22416
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [125I]RTI55 binding from human wild type SERT |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113533 BindingDB Entry DOI: 10.7270/Q24T6P6C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50331515
(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Perugia
Curated by ChEMBL
| Assay Description Displacement of [3H]paroxetine from SERT in human platelet membrane |
Bioorg Med Chem Lett 18: 5140-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.084 BindingDB Entry DOI: 10.7270/Q2WS8V4S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50425187
(CHEMBL2314215)Show SMILES FCCOC(=O)[C@@H]1[C@H]2CC[C@H](C[C@@H]1c1ccc(\C=C/I)cc1)N2 |r,TLB:13:12:22:8.9,THB:4:6:22:8.9| Show InChI InChI=1S/C18H21FINO2/c19-8-10-23-18(22)17-15(11-14-5-6-16(17)21-14)13-3-1-12(2-4-13)7-9-20/h1-4,7,9,14-17,21H,5-6,8,10-11H2/b9-7-/t14-,15-,16-,17+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Binding affinity to SERT (unknown origin) |
Bioorg Med Chem Lett 23: 869-72 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.043 BindingDB Entry DOI: 10.7270/Q2V989DM |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50241199
((Z)-2-[18F]fluoroethyl 3-(4-(2-iodovinyl)phenyl)-8...)Show SMILES FCCOC(=O)C1C2CCC(CC1c1ccc(\C=C/I)cc1)N2 |TLB:13:12:22:9.8,THB:4:6:22:9.8| Show InChI InChI=1S/C18H21FINO2/c19-8-10-23-18(22)17-15(11-14-5-6-16(17)21-14)13-3-1-12(2-4-13)7-9-20/h1-4,7,9,14-17,21H,5-6,8,10-11H2/b9-7- | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description Displacement of [3H](R,S)citalopram.HBr from human SERT transfected in human HEK293 cells |
J Med Chem 51: 7788-99 (2008)
Article DOI: 10.1021/jm800781a BindingDB Entry DOI: 10.7270/Q21C1WRQ |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50219561
(2-beta-carbo(2-fluoroethoxy)-3-beta-(4'-((Z)-2-iod...)Show SMILES FCCOC(=O)C1C2CCC(CC1c1ccc(\C=C/I)cc1)N2 |w:10.9,12.13,7.24,6.5,TEB:4:6:8.9:22,13:12:8.9:22| Show InChI InChI=1S/C18H21FINO2/c19-8-10-23-18(22)17-15(11-14-5-6-16(17)21-14)13-3-1-12(2-4-13)7-9-20/h1-4,7,9,14-17,21H,5-6,8,10-11H2/b9-7- | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description Binding affinity to human SERT expressed in HEK293 cells |
J Med Chem 50: 4553-60 (2007)
Article DOI: 10.1021/jm061303s BindingDB Entry DOI: 10.7270/Q2ZP45V0 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50139958
(3-[4-(2,2-Dibromo-vinyl)-phenyl]-8-aza-bicyclo[3.2...)Show SMILES [#6]-[#8]-[#6](=O)-[#6]-1-[#6]-2-[#6]-[#6]-[#6](-[#6]-[#6]-1-c1ccc(\[#6]=[#6](/Br)Br)cc1)-[#7]-2 |THB:2:4:21:6.7| Show InChI InChI=1S/C17H19Br2NO2/c1-22-17(21)16-13(9-12-6-7-14(16)20-12)11-4-2-10(3-5-11)8-15(18)19/h2-5,8,12-14,16,20H,6-7,9H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description Inhibition of [125I]-RTI-55 binding to human serotonin transporter expressed in human embryonic kidney cells |
J Med Chem 47: 1122-35 (2004)
Article DOI: 10.1021/jm030384e BindingDB Entry DOI: 10.7270/Q2154GG7 |
More data for this Ligand-Target Pair | |