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Compile Data Set for Download or QSAR

Found 8326 hits Enz. Inhib. hit(s) with Target = 'Monoamine transporters; serotonin & dopamine'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50109062
PNG
(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
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0.0100n/an/an/an/an/an/an/an/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)


Article DOI: 10.1016/s0960-894x(01)00746-6
BindingDB Entry DOI: 10.7270/Q2FJ2G2M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50110577
PNG
(2-(2-((dimethylamino)methyl)phenylthio)-5-iodoanil...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(I)cc1N
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
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0.0130n/an/an/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm020167y
BindingDB Entry DOI: 10.7270/Q23N22RJ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50110577
PNG
(2-(2-((dimethylamino)methyl)phenylthio)-5-iodoanil...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(I)cc1N
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
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0.0130n/an/an/an/an/an/an/an/a



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)


Article DOI: 10.1016/s0960-894x(02)00028-8
BindingDB Entry DOI: 10.7270/Q2S46SHN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50160893
PNG
(8-Methyl-3-(4-thiophen-3-yl-phenyl)-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccsc1)N2C
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
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0.0170n/an/an/an/an/an/an/an/a



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
PNG
((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
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0.0190n/an/an/an/an/an/an/an/a



Boots Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 32: 737-43 (1993)


BindingDB Entry DOI: 10.7270/Q22J69D4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50109058
PNG
(1H-4-indolyl 2-[4-(1H-3-indolyl)-1,2,3,6-tetrahydr...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ccccc12)Oc1cccc2[nH]ccc12
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
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0.0300n/an/an/an/an/an/an/an/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)


Article DOI: 10.1016/s0960-894x(01)00746-6
BindingDB Entry DOI: 10.7270/Q2FJ2G2M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50110578
PNG
(4-Chloro-6-nitro-2-piperazin-1-yl-quinoline | CHEM...)
Show SMILES [O-][N+](=O)c1ccc2nc(cc(Cl)c2c1)N1CCNCC1
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
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0.0300n/an/an/an/an/an/an/an/a



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)


Article DOI: 10.1016/s0960-894x(02)00028-8
BindingDB Entry DOI: 10.7270/Q2S46SHN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM82217
PNG
(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
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0.0400n/an/an/an/an/an/an/an/a



University of Turku

Curated by PDSP Ki Database




Psychopharmacology (Berl) 126: 234-40 (1996)


BindingDB Entry DOI: 10.7270/Q2BP0192
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM22416
PNG
((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
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0.0400n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Eur J Pharmacol 349: 129-32 (1998)


BindingDB Entry DOI: 10.7270/Q279436B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM82217
PNG
(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
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0.0470n/an/an/an/an/an/an/an/a



Boots Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 32: 737-43 (1993)


BindingDB Entry DOI: 10.7270/Q22J69D4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50331515
PNG
(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
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
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0.0500n/an/an/an/an/an/an/an/a



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
3D Structure (crystal)
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM22416
PNG
((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
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0.0500n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 1305-22 (1997)


Article DOI: 10.1021/acschembio.5b00370
BindingDB Entry DOI: 10.7270/Q25Q4TMX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50119550
PNG
(5-Chloro-2-(2-dimethylaminomethyl-phenylsulfanyl)-...)
Show SMILES CN(C)Cc1ccccc1Sc1cc(F)c(Cl)cc1N
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
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0.0500n/an/an/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm020167y
BindingDB Entry DOI: 10.7270/Q23N22RJ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50127388
PNG
(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
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
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0.0550n/an/an/an/an/an/an/an/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
PNG
(Benzoic acid 9-(3-chloro-4-iodo-benzylidene)-7-aza...)
Show SMILES Clc1cc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)ccc1I
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+
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0.0600n/an/an/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm0105373
BindingDB Entry DOI: 10.7270/Q2M32WHG
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50106857
PNG
(3-(4-Iodo-phenyl)-8-aza-bicyclo[3.2.1]octane-2-car...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2
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
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0.0600n/an/an/an/an/an/an/an/a



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)


Article DOI: 10.1016/s0960-894x(01)00626-6
BindingDB Entry DOI: 10.7270/Q23N22PN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50111036
PNG
(Benzoic acid 9-(3-chloro-4-iodo-benzylidene)-7-aza...)
Show SMILES Clc1cc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)ccc1I
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+
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0.0600n/an/an/an/an/an/an/an/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)


Article DOI: 10.1016/s0960-894x(02)00103-8
BindingDB Entry DOI: 10.7270/Q20K294R
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50303312
PNG
(3-alpha-(4-Dichlorophenyl)methoxy-3-beta-phenyl-no...)
Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccccc2)cc1Cl
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
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0.0610n/an/an/an/an/an/an/an/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
PNG
(3-(4-Iodo-phenyl)-8-aza-bicyclo[3.2.1]octane-2-car...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2
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
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0.0620n/an/an/an/an/an/an/an/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
PNG
(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
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
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0.0630n/an/an/an/an/an/an/an/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))
BDBM50130172
PNG
(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
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
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0.0700n/an/an/an/an/an/an/an/a



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)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50150101
PNG
(CHEMBL419240 | [2-(2,3-Dihydro-benzo[1,4]dioxin-5-...)
Show SMILES Fc1ccc2[nH]cc(CCCNCCOc3cccc4OCCOc34)c2c1
Show InChI InChI=1S/C21H23FN2O3/c22-16-6-7-18-17(13-16)15(14-24-18)3-2-8-23-9-10-25-19-4-1-5-20-21(19)27-12-11-26-20/h1,4-7,13-14,23-24H,2-3,8-12H2
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0.0800n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter in rat cortical tissues using radioligand [3H]-paroxetine


J Med Chem 47: 3823-42 (2004)


Article DOI: 10.1021/jm0304010
BindingDB Entry DOI: 10.7270/Q2S46RDW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50094929
PNG
(2-(2-Methyl-piperazin-1-yl)-6-nitro-quinoline | CH...)
Show SMILES CC1CNCCN1c1ccc2cc(ccc2n1)[N+]([O-])=O
Show InChI InChI=1S/C14H16N4O2/c1-10-9-15-6-7-17(10)14-5-2-11-8-12(18(19)20)3-4-13(11)16-14/h2-5,8,10,15H,6-7,9H2,1H3
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0.0810n/an/an/an/an/an/an/an/a



Central Washington University

Curated by ChEMBL


Assay Description
In vitro radioligand [3H]-paroxetine from rat cortical Serotonin transporter


Bioorg Med Chem Lett 10: 2643-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00546-1
BindingDB Entry DOI: 10.7270/Q2W37VJW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50073436
PNG
((2-(2-((dimethylamino)methyl)phenylthio)-5-iodophe...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(I)cc1CO
Show InChI InChI=1S/C16H18INOS/c1-18(2)10-12-5-3-4-6-15(12)20-16-8-7-14(17)9-13(16)11-19/h3-9,19H,10-11H2,1-2H3
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0.0970n/an/an/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm020167y
BindingDB Entry DOI: 10.7270/Q23N22RJ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50303314
PNG
(3-alpha-(4-Chlorophenyl)methoxy-3-beta-(4-chloroph...)
Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H21Cl2NO/c21-16-5-1-14(2-6-16)13-24-20(15-3-7-17(22)8-4-15)11-18-9-10-19(12-20)23-18/h1-8,18-19,23H,9-13H2
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0.100n/an/an/an/an/an/an/an/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))
BDBM50111035
PNG
(Benzoic acid 9-(4-iodo-benzylidene)-7-aza-tricyclo...)
Show SMILES Ic1ccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)cc1
Show InChI InChI=1S/C24H24INO2/c25-19-8-6-16(7-9-19)12-18-14-26-20-10-11-23(26)22(21(18)13-20)15-28-24(27)17-4-2-1-3-5-17/h1-9,12,20-23H,10-11,13-15H2/b18-12+
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0.100n/an/an/an/an/an/an/an/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)


Article DOI: 10.1016/s0960-894x(02)00103-8
BindingDB Entry DOI: 10.7270/Q20K294R
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50112273
PNG
(Benzoic acid 9-naphthalen-2-ylmethylene-7-aza-tric...)
Show SMILES O=C(OCC1C2CCC3CC1\C(CN23)=C\c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C28H27NO2/c30-28(21-7-2-1-3-8-21)31-18-26-25-16-24-12-13-27(26)29(24)17-23(25)15-19-10-11-20-6-4-5-9-22(20)14-19/h1-11,14-15,24-27H,12-13,16-18H2/b23-15+
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0.100n/an/an/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm0105373
BindingDB Entry DOI: 10.7270/Q2M32WHG
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50102006
PNG
(3-[4-(6-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-c...)
Show SMILES COc1ccc2CN(CCc2c1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C25H27N3O/c1-29-22-8-5-20-16-28(11-10-19(20)13-22)21-6-3-18(4-7-21)24-15-27-25-9-2-17(14-26)12-23(24)25/h2,5,8-9,12-13,15,18,21,27H,3-4,6-7,10-11,16H2,1H3/t18-,21+
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0.100n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes


Bioorg Med Chem Lett 11: 1885-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00334-1
BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50073436
PNG
((2-(2-((dimethylamino)methyl)phenylthio)-5-iodophe...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(I)cc1CO
Show InChI InChI=1S/C16H18INOS/c1-18(2)10-12-5-3-4-6-15(12)20-16-8-7-14(17)9-13(16)11-19/h3-9,19H,10-11H2,1-2H3
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0.100n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I]IPT from SERT in rat brain cortex membrane


Bioorg Med Chem 16: 9050-5 (2008)


Article DOI: 10.1016/j.bmc.2008.08.002
BindingDB Entry DOI: 10.7270/Q21G0M3J
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM82071
PNG
(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
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0.100n/an/an/an/an/an/an/an/a



Wyeth Laboratories, Inc.

Curated by PDSP Ki Database




Biochem Pharmacol 35: 4493-7 (1986)


BindingDB Entry DOI: 10.7270/Q22J69CP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50111035
PNG
(Benzoic acid 9-(4-iodo-benzylidene)-7-aza-tricyclo...)
Show SMILES Ic1ccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)cc1
Show InChI InChI=1S/C24H24INO2/c25-19-8-6-16(7-9-19)12-18-14-26-20-10-11-23(26)22(21(18)13-20)15-28-24(27)17-4-2-1-3-5-17/h1-9,12,20-23H,10-11,13-15H2/b18-12+
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0.100n/an/an/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm0105373
BindingDB Entry DOI: 10.7270/Q2M32WHG
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50145347
PNG
(1-(2-(4-(6-fluoro-1H-indol-3-yl)-5,6-dihydropyridi...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1
Show InChI InChI=1S/C25H26FN3O2/c26-19-2-4-21-22(15-28-23(21)14-19)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-5,13-15,24,28H,6-12H2,(H2,27,30)
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0.110n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50051751
PNG
(1-[3-(4-Isopropenyl-phenyl)-8-aza-bicyclo[3.2.1]oc...)
Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)=C)N2
Show InChI InChI=1S/C19H25NO/c1-4-18(21)19-16(11-15-9-10-17(19)20-15)14-7-5-13(6-8-14)12(2)3/h5-8,15-17,19-20H,2,4,9-11H2,1,3H3
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0.110n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]-paroxetine from Serotonin transporter of rat frontal cortex membrane


J Med Chem 39: 2554-8 (1996)


Article DOI: 10.1021/jm9600508
BindingDB Entry DOI: 10.7270/Q2V69HP1
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50160892
PNG
(3-(4-Thiophen-2-yl-phenyl)-8-aza-bicyclo[3.2.1]oct...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccs1)N2
Show InChI InChI=1S/C19H21NO2S/c1-22-19(21)18-15(11-14-8-9-16(18)20-14)12-4-6-13(7-5-12)17-3-2-10-23-17/h2-7,10,14-16,18,20H,8-9,11H2,1H3
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0.110n/an/an/an/an/an/an/an/a



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))
BDBM50048558
PNG
(8-(3-Fluoro-propyl)-3-(4-iodo-phenyl)-8-aza-bicycl...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCF
Show InChI InChI=1S/C18H23FINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3
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0.110n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter in rat cerebral cortical homogenates by [3H]paroxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50063266
PNG
(6-Nitro-2-piperazin-1-yl-quinoline | 6-nitroquipaz...)
Show SMILES [O-][N+](=O)c1ccc2nc(ccc2c1)N1CCNCC1
Show InChI InChI=1S/C13H14N4O2/c18-17(19)11-2-3-12-10(9-11)1-4-13(15-12)16-7-5-14-6-8-16/h1-4,9,14H,5-8H2
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0.120n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to displace [3H]paroxetine bound to Serotonin transporter receptor in rat forebrain


J Med Chem 41: 728-41 (1998)


Article DOI: 10.1021/jm970645i
BindingDB Entry DOI: 10.7270/Q2QV3N6F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50063266
PNG
(6-Nitro-2-piperazin-1-yl-quinoline | 6-nitroquipaz...)
Show SMILES [O-][N+](=O)c1ccc2nc(ccc2c1)N1CCNCC1
Show InChI InChI=1S/C13H14N4O2/c18-17(19)11-2-3-12-10(9-11)1-4-13(15-12)16-7-5-14-6-8-16/h1-4,9,14H,5-8H2
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0.120n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter was determined in rat forebrain membrane


J Med Chem 42: 1556-75 (1999)


Article DOI: 10.1021/jm981112s
BindingDB Entry DOI: 10.7270/Q2D50NPW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50124565
PNG
(CHEMBL353333 | methyl 3-(4-iodophenyl)-(2S,3S)-8-a...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2
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/t11?,12-,13?,14+/m1/s1
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0.120n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Invitro competitive binding versus [N-methyl-3H]-WIN 35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT)


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


(Rattus norvegicus (rat))
BDBM50041293
PNG
(1-(8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]...)
Show SMILES CCC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C
Show InChI InChI=1S/C21H25NO/c1-3-20(23)21-18(13-17-10-11-19(21)22(17)2)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12,17-19,21H,3,10-11,13H2,1-2H3
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0.121n/an/an/an/an/an/an/an/a



Wake Forest University

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to serotonin transport sites in rat frontal cortex membranes.


J Med Chem 37: 1262-8 (1994)


Article DOI: 10.1021/jm00035a005
BindingDB Entry DOI: 10.7270/Q2TH8NBM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50021226
PNG
(CHEMBL296602 | Indatraline | [3-(3,4-Dichloro-phen...)
Show SMILES CNC1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3
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0.130n/an/an/an/an/an/an/an/a



Boots Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 32: 737-43 (1993)


BindingDB Entry DOI: 10.7270/Q22J69D4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50111887
PNG
(1-{3-[4-((Z)-2-Iodo-propenyl)-phenyl]-8-aza-bicycl...)
Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(\C=C(\C)I)cc1)N2
Show InChI InChI=1S/C19H24INO/c1-3-18(22)19-16(11-15-8-9-17(19)21-15)14-6-4-13(5-7-14)10-12(2)20/h4-7,10,15-17,19,21H,3,8-9,11H2,1-2H3/b12-10-
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0.130n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Tested for the ability to displace [3H]- paroxetine binding in rat frontal cortex membrane against Serotonin transporter


Bioorg Med Chem Lett 12: 845-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00048-3
BindingDB Entry DOI: 10.7270/Q25M6515
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50048561
PNG
(8-(2-Fluoro-ethyl)-3-(4-iodo-phenyl)-8-aza-bicyclo...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCF
Show InChI InChI=1S/C17H21FINO2/c1-22-17(21)16-14(11-2-4-12(19)5-3-11)10-13-6-7-15(16)20(13)9-8-18/h2-5,13-16H,6-10H2,1H3
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0.140n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter in rat cerebral cortical homogenates by [3H]paroxetine displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM77970
PNG
(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12
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
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0.140n/an/an/an/an/an/an/an/a



Boots Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 32: 737-43 (1993)


BindingDB Entry DOI: 10.7270/Q22J69D4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM77970
PNG
(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12
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
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0.140n/an/an/an/an/an/an/an/a



University of Turku

Curated by PDSP Ki Database




Psychopharmacology (Berl) 126: 234-40 (1996)


BindingDB Entry DOI: 10.7270/Q2BP0192
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50153628
PNG
(4-[3-(3-Naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct-2-...)
Show SMILES C(COc1cccc2[nH]ccc12)CN1C2CCC1C=C(C2)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H28N2O/c1-2-6-21-17-22(10-9-20(21)5-1)23-18-24-11-12-25(19-23)30(24)15-4-16-31-28-8-3-7-27-26(28)13-14-29-27/h1-3,5-10,13-14,17-18,24-25,29H,4,11-12,15-16,19H2
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0.140n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin transporter


Bioorg Med Chem Lett 14: 5281-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.030
BindingDB Entry DOI: 10.7270/Q2F76C1B
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50160894
PNG
(8-Methyl-3-(4-thiophen-2-yl-phenyl)-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccs1)N2C
Show InChI InChI=1S/C20H23NO2S/c1-21-15-9-10-17(21)19(20(22)23-2)16(12-15)13-5-7-14(8-6-13)18-4-3-11-24-18/h3-8,11,15-17,19H,9-10,12H2,1-2H3
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0.150n/an/an/an/an/an/an/an/a



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))
BDBM50109057
PNG
(3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-eth...)
Show SMILES Fc1ccc2c(c[nH]c2c1)C1=CCN(CCOc2cccc3OCCOc23)CC1
Show InChI InChI=1S/C23H23FN2O3/c24-17-4-5-18-19(15-25-20(18)14-17)16-6-8-26(9-7-16)10-11-27-21-2-1-3-22-23(21)29-13-12-28-22/h1-6,14-15,25H,7-13H2
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0.150n/an/an/an/an/an/an/an/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)


Article DOI: 10.1016/s0960-894x(01)00746-6
BindingDB Entry DOI: 10.7270/Q2FJ2G2M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50175644
PNG
(CHEMBL200044 | methyl 3-(4-(furan-2-yl)phenyl)-8-a...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccco1)N2
Show InChI InChI=1S/C19H21NO3/c1-22-19(21)18-15(11-14-8-9-16(18)20-14)12-4-6-13(7-5-12)17-3-2-10-23-17/h2-7,10,14-16,18,20H,8-9,11H2,1H3
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0.150n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Rattus norvegicus (rat))
BDBM50063266
PNG
(6-Nitro-2-piperazin-1-yl-quinoline | 6-nitroquipaz...)
Show SMILES [O-][N+](=O)c1ccc2nc(ccc2c1)N1CCNCC1
Show InChI InChI=1S/C13H14N4O2/c18-17(19)11-2-3-12-10(9-11)1-4-13(15-12)16-7-5-14-6-8-16/h1-4,9,14H,5-8H2
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0.163n/an/an/an/an/an/an/an/a



Central Washington University

Curated by ChEMBL


Assay Description
In vitro radioligand [3H]-paroxetine from rat cortical Serotonin transporter


Bioorg Med Chem Lett 10: 2643-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00546-1
BindingDB Entry DOI: 10.7270/Q2W37VJW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50063266
PNG
(6-Nitro-2-piperazin-1-yl-quinoline | 6-nitroquipaz...)
Show SMILES [O-][N+](=O)c1ccc2nc(ccc2c1)N1CCNCC1
Show InChI InChI=1S/C13H14N4O2/c18-17(19)11-2-3-12-10(9-11)1-4-13(15-12)16-7-5-14-6-8-16/h1-4,9,14H,5-8H2
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0.170n/an/an/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of [3H]citalopram binding to Serotonin transporter of rat cerebral cortex


Bioorg Med Chem Lett 10: 1559-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00290-0
BindingDB Entry DOI: 10.7270/Q20P10J2
More data for this
Ligand-Target Pair
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