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Compile Data Set for Download or QSAR

Found 4346 hits of ic50 data for polymerid = 2253,2273   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50161093
PNG
((R)-2-chloro-6-(2-hydroxy-3-(2-methyl-1-(naphthale...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N
Show InChI InChI=1S/C24H25ClN2O2/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26/h3-12,20,27-28H,13,15-16H2,1-2H3/t20-/m1/s1
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n/an/a 0.00200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of SERT


J Med Chem 52: 6599-605 (2009)


Article DOI: 10.1021/jm900563e
BindingDB Entry DOI: 10.7270/Q2WM1FB4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50175387
PNG
((R)-2-(2-hydroxy-3-(2-methyl-1-(naphthalen-2-yl)pr...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccccc1C#N
Show InChI InChI=1S/C24H26N2O2/c1-24(2,14-18-11-12-19-7-3-4-8-20(19)13-18)26-16-22(27)17-28-23-10-6-5-9-21(23)15-25/h3-13,22,26-27H,14,16-17H2,1-2H3/t22-/m1/s1
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n/an/a 0.00300n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of SERT


J Med Chem 52: 6599-605 (2009)


Article DOI: 10.1021/jm900563e
BindingDB Entry DOI: 10.7270/Q2WM1FB4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50299546
PNG
(3-{3-Cyano-4-[((2R)-3-{[1,1-dimethyl-2-(2-naphthal...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccc(CCC(O)=O)cc1C#N
Show InChI InChI=1S/C27H30N2O4/c1-27(2,15-20-7-10-21-5-3-4-6-22(21)14-20)29-17-24(30)18-33-25-11-8-19(9-12-26(31)32)13-23(25)16-28/h3-8,10-11,13-14,24,29-30H,9,12,15,17-18H2,1-2H3,(H,31,32)/t24-/m1/s1
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n/an/a 0.0230n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of SERT


J Med Chem 52: 6599-605 (2009)


Article DOI: 10.1021/jm900563e
BindingDB Entry DOI: 10.7270/Q2WM1FB4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50021219
PNG
(CHEMBL553648 | [3-(2,4-Dichloro-phenyl)-indan-1-yl...)
Show SMILES CN(C)C1CC(c2ccccc12)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C17H17Cl2N/c1-20(2)17-10-15(12-5-3-4-6-14(12)17)13-8-7-11(18)9-16(13)19/h3-9,15,17H,10H2,1-2H3
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n/an/a 0.0300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-HT uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


Article DOI: 10.1021/jm00150a012
BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50021247
PNG
(CHEMBL300069 | [3-(4-Bromo-phenyl)-indan-1-yl]-dim...)
Show SMILES CN(C)C1CC(c2ccccc12)c1ccc(Br)cc1
Show InChI InChI=1S/C17H18BrN/c1-19(2)17-11-16(12-7-9-13(18)10-8-12)14-5-3-4-6-15(14)17/h3-10,16-17H,11H2,1-2H3
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n/an/a 0.0400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-HT uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


Article DOI: 10.1021/jm00150a012
BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50268077
PNG
((S)-4-(2-hydroxy-3-(1-(4-methoxyphenyl)-2-methylpr...)
Show SMILES COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1
Show InChI InChI=1S/C21H27N3O4/c1-21(2,11-14-7-9-16(27-3)10-8-14)22-12-15(25)13-28-18-6-4-5-17-19(18)24-20(26)23-17/h4-10,15,22,25H,11-13H2,1-3H3,(H2,23,24,26)/t15-/m0/s1
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n/an/a 0.0610n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of SERT


J Med Chem 52: 6599-605 (2009)


Article DOI: 10.1021/jm900563e
BindingDB Entry DOI: 10.7270/Q2WM1FB4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50299545
PNG
(3-{4-[((2R)-3-{[1,1-Dimethyl-2-(2-naphthalenyl)eth...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C26H31NO4/c1-26(2,16-20-7-11-21-5-3-4-6-22(21)15-20)27-17-23(28)18-31-24-12-8-19(9-13-24)10-14-25(29)30/h3-9,11-13,15,23,27-28H,10,14,16-18H2,1-2H3,(H,29,30)/t23-/m1/s1
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n/an/a 0.0680n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of SERT


J Med Chem 52: 6599-605 (2009)


Article DOI: 10.1021/jm900563e
BindingDB Entry DOI: 10.7270/Q2WM1FB4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50378146
PNG
(CHEMBL1204009)
Show SMILES CCOC(=O)CCc1ccc(OC[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c(c1)C#N
Show InChI InChI=1S/C29H34N2O4/c1-4-34-28(33)14-11-21-10-13-27(25(15-21)18-30)35-20-26(32)19-31-29(2,3)17-22-9-12-23-7-5-6-8-24(23)16-22/h5-10,12-13,15-16,26,31-32H,4,11,14,17,19-20H2,1-3H3/t26-/m1/s1
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n/an/a 0.0780n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of SERT


J Med Chem 52: 6599-605 (2009)


Article DOI: 10.1021/jm900563e
BindingDB Entry DOI: 10.7270/Q2WM1FB4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
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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n/an/a 0.110n/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against serotonin transporter


J Med Chem 48: 6523-43 (2005)


Article DOI: 10.1021/jm058225d
BindingDB Entry DOI: 10.7270/Q2SF2WZ9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50021213
PNG
(1-(3,4-Dichloro-phenyl)-3-methylamino-indan-5-ol |...)
Show SMILES CNC1CC(c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H15Cl2NO/c1-19-16-8-12(9-2-5-14(17)15(18)6-9)11-4-3-10(20)7-13(11)16/h2-7,12,16,19-20H,8H2,1H3
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n/an/a 0.110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-HT uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


Article DOI: 10.1021/jm00150a012
BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50295294
PNG
((+/-)-trans-3-(2-((dimethylamino)methyl)cyclopenty...)
Show SMILES CN(C)C[C@H]1CCC[C@@H]1c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C17H21N3/c1-20(2)11-13-4-3-5-14(13)16-10-19-17-7-6-12(9-18)8-15(16)17/h6-8,10,13-14,19H,3-5,11H2,1-2H3/t13-,14+/m1/s1
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n/an/a 0.130n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cells


Bioorg Med Chem Lett 20: 1027-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.043
BindingDB Entry DOI: 10.7270/Q2125SSB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50295294
PNG
((+/-)-trans-3-(2-((dimethylamino)methyl)cyclopenty...)
Show SMILES CN(C)C[C@H]1CCC[C@@H]1c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C17H21N3/c1-20(2)11-13-4-3-5-14(13)16-10-19-17-7-6-12(9-18)8-15(16)17/h6-8,10,13-14,19H,3-5,11H2,1-2H3/t13-,14+/m1/s1
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n/an/a 0.130n/an/an/an/an/an/a



Bristol-Myers SquibbPharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 4031-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.026
BindingDB Entry DOI: 10.7270/Q2Q81D3K
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50295294
PNG
((+/-)-trans-3-(2-((dimethylamino)methyl)cyclopenty...)
Show SMILES CN(C)C[C@H]1CCC[C@@H]1c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C17H21N3/c1-20(2)11-13-4-3-5-14(13)16-10-19-17-7-6-12(9-18)8-15(16)17/h6-8,10,13-14,19H,3-5,11H2,1-2H3/t13-,14+/m1/s1
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n/an/a 0.130n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Rattus norvegicus (rat))
BDBM50021247
PNG
(CHEMBL300069 | [3-(4-Bromo-phenyl)-indan-1-yl]-dim...)
Show SMILES CN(C)C1CC(c2ccccc12)c1ccc(Br)cc1
Show InChI InChI=1S/C17H18BrN/c1-19(2)17-11-16(12-7-9-13(18)10-8-12)14-5-3-4-6-15(14)17/h3-10,16-17H,11H2,1-2H3
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n/an/a 0.140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-HT uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


Article DOI: 10.1021/jm00150a012
BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50124562
PNG
(1-[3-(4-isopropenylphenyl)-(2S,3S)-8-azabicyclo[3....)
Show SMILES CCC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(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/t15?,16-,17?,19+/m1/s1
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n/an/a 0.160n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin transporter (SERT) by using [3H]-paroxetine as radioligand


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))
BDBM50021208
PNG
(CHEMBL545671 | [3-(4-Bromo-phenyl)-indan-1-yl]-met...)
Show SMILES CNC1CC(c2ccccc12)c1ccc(Br)cc1
Show InChI InChI=1S/C16H16BrN/c1-18-16-10-15(11-6-8-12(17)9-7-11)13-4-2-3-5-14(13)16/h2-9,15-16,18H,10H2,1H3
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n/an/a 0.160n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-HT uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


Article DOI: 10.1021/jm00150a012
BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
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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n/an/a 0.200n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells after 1 hr by scintillation counting analysis


Bioorg Med Chem 21: 2217-28 (2013)


Article DOI: 10.1016/j.bmc.2013.02.010
BindingDB Entry DOI: 10.7270/Q2M90B1W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50047103
PNG
(2-{3-[4-(1H-Indol-3-yl)-3,6-dihydro-2H-pyridin-1-y...)
Show SMILES O=S1(=O)N(CCCN2CCC(=CC2)c2c[nH]c3ccccc23)c2cccc3cccc1c23
Show InChI InChI=1S/C26H25N3O2S/c30-32(31)25-11-4-7-20-6-3-10-24(26(20)25)29(32)15-5-14-28-16-12-19(13-17-28)22-18-27-23-9-2-1-8-21(22)23/h1-4,6-12,18,27H,5,13-17H2
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n/an/a 0.200n/an/an/an/an/an/a



Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake


J Med Chem 36: 1194-202 (1993)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50330813
PNG
(3-[(1S,3R)-3-Dimethylaminocyclopentyl]-1H-indole-5...)
Show SMILES CN(C)[C@@H]1CC[C@@H](C1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C16H19N3/c1-19(2)13-5-4-12(8-13)15-10-18-16-6-3-11(9-17)7-14(15)16/h3,6-7,10,12-13,18H,4-5,8H2,1-2H3/t12-,13+/m0/s1
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n/an/a 0.220n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50149945
PNG
(CHEMBL3770205)
Show SMILES CN1C2CCC1CC(C2)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H29BrN6O5S/c1-33(2)14-13-29-26(36)21(15-24(34)32-23-12-11-19(27)16-30-23)31-25(35)18-9-7-17(8-10-18)20-5-3-4-6-22(20)39(28,37)38/h3-12,16,21H,13-15H2,1-2H3,(H,29,36)(H,31,35)(H2,28,37,38)(H,30,32,34)
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n/an/a 0.230n/an/an/an/an/an/a



School of Medicine of University of Electronic Science and Technology of China

Curated by ChEMBL


Assay Description
Inhibition of 5-HT in Wistar rat synaptosomes assessed as [3H]-5-HT reuptake by liquid scintillation counting


Bioorg Med Chem 24: 1419-30 (2016)


Article DOI: 10.1016/j.bmc.2016.02.030
BindingDB Entry DOI: 10.7270/Q22N5444
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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n/an/a 0.280n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine (0.2 nM) binding to 5-HT transporter


J Med Chem 41: 247-57 (1998)


Article DOI: 10.1021/jm970669p
BindingDB Entry DOI: 10.7270/Q2P55P6D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Monoamine transporters; serotonin & dopamine


(Rattus norvegicus (rat))
BDBM50021208
PNG
(CHEMBL545671 | [3-(4-Bromo-phenyl)-indan-1-yl]-met...)
Show SMILES CNC1CC(c2ccccc12)c1ccc(Br)cc1
Show InChI InChI=1S/C16H16BrN/c1-18-16-10-15(11-6-8-12(17)9-7-11)13-4-2-3-5-14(13)16/h2-9,15-16,18H,10H2,1H3
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n/an/a 0.280n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-HT uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


Article DOI: 10.1021/jm00150a012
BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50047108
PNG
(2-{2-[4-(6-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2c(CC3CCN(CCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c[nH]c2c1
Show InChI InChI=1S/C26H26FN3O2S/c27-21-7-8-22-20(17-28-23(22)16-21)15-18-9-11-29(12-10-18)13-14-30-24-5-1-3-19-4-2-6-25(26(19)24)33(30,31)32/h1-8,16-18,28H,9-15H2
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n/an/a 0.300n/an/an/an/an/an/a



Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake


J Med Chem 36: 1194-202 (1993)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50047089
PNG
(2-{3-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1
Show InChI InChI=1S/C26H24FN3O2S/c27-20-8-9-23-21(16-20)22(17-28-23)18-10-14-29(15-11-18)12-3-13-30-24-6-1-4-19-5-2-7-25(26(19)24)33(30,31)32/h1-2,4-10,16-17,28H,3,11-15H2
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n/an/a 0.300n/an/an/an/an/an/a



Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake


J Med Chem 36: 1194-202 (1993)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50152012
PNG
(5-{4-[4-(5-Fluoro-1H-indol-3-yl)-butyl]-piperazin-...)
Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/C25H27FN4O2/c26-19-4-6-22-21(15-19)17(16-28-22)3-1-2-8-29-9-11-30(12-10-29)20-5-7-23-18(13-20)14-24(32-23)25(27)31/h4-7,13-16,28H,1-3,8-12H2,(H2,27,31)
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n/an/a 0.300n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-HT re-uptake in rat synaptosomes


J Med Chem 47: 4684-92 (2004)


Article DOI: 10.1021/jm040793q
BindingDB Entry DOI: 10.7270/Q2513XPS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50278521
PNG
((S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-...)
Show SMILES CCCCN(Cc1ccc2ccccc2c1)[C@H]1CCNC1
Show InChI InChI=1S/C19H26N2/c1-2-3-12-21(19-10-11-20-14-19)15-16-8-9-17-6-4-5-7-18(17)13-16/h4-9,13,19-20H,2-3,10-12,14-15H2,1H3/t19-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled serotonin reuptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50152027
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cc(ccc2s1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5OS/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
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n/an/a 0.300n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-HT re-uptake in rat synaptosomes


J Med Chem 47: 4684-92 (2004)


Article DOI: 10.1021/jm040793q
BindingDB Entry DOI: 10.7270/Q2513XPS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50151999
PNG
(3-{4-[4-(3,4-Dimethoxy-phenyl)-piperazin-1-yl]-but...)
Show SMILES COc1ccc(cc1OC)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C25H30N4O2/c1-30-24-9-7-21(16-25(24)31-2)29-13-11-28(12-14-29)10-4-3-5-20-18-27-23-8-6-19(17-26)15-22(20)23/h6-9,15-16,18,27H,3-5,10-14H2,1-2H3
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n/an/a 0.300n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-HT re-uptake in rat synaptosomes


J Med Chem 47: 4684-92 (2004)


Article DOI: 10.1021/jm040793q
BindingDB Entry DOI: 10.7270/Q2513XPS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50124569
PNG
(1-[3-(4-vinylphenyl)-(2S,3S)-8-azabicyclo[3.2.1]oc...)
Show SMILES CCC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(C=C)cc1)N2
Show InChI InChI=1S/C18H23NO/c1-3-12-5-7-13(8-6-12)15-11-14-9-10-16(19-14)18(15)17(20)4-2/h3,5-8,14-16,18-19H,1,4,9-11H2,2H3/t14?,15-,16?,18+/m1/s1
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n/an/a 0.320n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin transporter (SERT) by using [3H]-paroxetine as radioligand


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))
BDBM50295294
PNG
((+/-)-trans-3-(2-((dimethylamino)methyl)cyclopenty...)
Show SMILES CN(C)C[C@H]1CCC[C@@H]1c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C17H21N3/c1-20(2)11-13-4-3-5-14(13)16-10-19-17-7-6-12(9-18)8-15(16)17/h6-8,10,13-14,19H,3-5,11H2,1-2H3/t13-,14+/m1/s1
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n/an/a 0.320n/an/an/an/an/an/a



Bristol-Myers SquibbPharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 4031-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.026
BindingDB Entry DOI: 10.7270/Q2Q81D3K
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Rattus norvegicus (rat))
BDBM50021238
PNG
(CHEMBL50635 | [3-(4-Chloro-phenyl)-indan-1-yl]-dim...)
Show SMILES CN(C)C1CC(c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H18ClN/c1-19(2)17-11-16(12-7-9-13(18)10-8-12)14-5-3-4-6-15(14)17/h3-10,16-17H,11H2,1-2H3
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n/an/a 0.340n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-HT uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


Article DOI: 10.1021/jm00150a012
BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50209166
PNG
(3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole-5-c...)
Show SMILES CN(C)C1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3
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n/an/a 0.340n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3099-104 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.040
BindingDB Entry DOI: 10.7270/Q2QN66F8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246181
PNG
((2-(3,4-dichlorophenoxy)phenyl)-N,N-dimethylmethan...)
Show SMILES CN(C)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H15Cl2NO/c1-18(2)10-11-5-3-4-6-15(11)19-12-7-8-13(16)14(17)9-12/h3-9H,10H2,1-2H3
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n/an/a 0.350n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50173715
PNG
((+)3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1...)
Show SMILES CN(C)C[C@H]1C[C@@H]1c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)14-8-17-15-4-3-10(7-16)5-13(14)15/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12+/m1/s1
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n/an/a 0.360n/an/an/an/an/an/a



Bristol-Myers SquibbPharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 4031-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.026
BindingDB Entry DOI: 10.7270/Q2Q81D3K
More data for this
Ligand-Target Pair
Sodium-dependent serotonin 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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n/an/a 0.360n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Binding affinity towards 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))
BDBM50173715
PNG
((+)3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1...)
Show SMILES CN(C)C[C@H]1C[C@@H]1c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)14-8-17-15-4-3-10(7-16)5-13(14)15/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12+/m1/s1
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n/an/a 0.360n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cells


Bioorg Med Chem Lett 20: 1027-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.043
BindingDB Entry DOI: 10.7270/Q2125SSB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50453639
PNG
(CHEMBL2112889)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](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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n/an/a 0.360n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to 5-hydroxytryptamine (5-HT) transporter


J Med Chem 37: 1220-3 (1994)


Article DOI: 10.1021/jm00034a021
BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50021228
PNG
(1-(3,4-Dichloro-phenyl)-3-dimethylamino-indan-5-ol...)
Show SMILES CN(C)C1CC(c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20(2)17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21)8-14(12)17/h3-8,13,17,21H,9H2,1-2H3
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n/an/a 0.370n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-HT uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


Article DOI: 10.1021/jm00150a012
BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50021245
PNG
(CHEMBL301782 | CHEMBL552891 | [3-(3,4-Dichloro-phe...)
Show SMILES CN(C)C1CC(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
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n/an/a 0.370n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-HT uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


Article DOI: 10.1021/jm00150a012
BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50330844
PNG
(3-[(1R,3S)-3-Dimethylaminocyclopentyl]-1H-indole-5...)
Show SMILES CN(C)[C@H]1CC[C@H](C1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C16H19N3/c1-19(2)13-5-4-12(8-13)15-10-18-16-6-3-11(9-17)7-14(15)16/h3,6-7,10,12-13,18H,4-5,8H2,1-2H3/t12-,13+/m1/s1
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n/an/a 0.380n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50047100
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1
Show InChI InChI=1S/C26H26FN3O2S/c27-21-7-8-23-22(16-21)20(17-28-23)15-18-9-11-29(12-10-18)13-14-30-24-5-1-3-19-4-2-6-25(26(19)24)33(30,31)32/h1-8,16-18,28H,9-15H2
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n/an/a 0.400n/an/an/an/an/an/a



Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake


J Med Chem 36: 1194-202 (1993)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50047092
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCn4c5cccc6CCCn(c56)c4=O)CC3)c2c1
Show InChI InChI=1S/C26H29FN4O/c27-21-6-7-23-22(16-21)20(17-28-23)15-18-8-11-29(12-9-18)13-14-30-24-5-1-3-19-4-2-10-31(25(19)24)26(30)32/h1,3,5-7,16-18,28H,2,4,8-15H2
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n/an/a 0.400n/an/an/an/an/an/a



Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake


J Med Chem 36: 1194-202 (1993)


Article DOI: 10.1021/jm00061a010
BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50151988
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C25H28N4O2/c26-17-19-4-6-23-22(15-19)20(18-27-23)3-1-2-8-28-9-11-29(12-10-28)21-5-7-24-25(16-21)31-14-13-30-24/h4-7,15-16,18,27H,1-3,8-14H2
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n/an/a 0.400n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-HT re-uptake in rat synaptosomes


J Med Chem 47: 4684-92 (2004)


Article DOI: 10.1021/jm040793q
BindingDB Entry DOI: 10.7270/Q2513XPS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50209168
PNG
((R)-3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole...)
Show SMILES CN(C)[C@@H]1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3/t14-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3099-104 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.040
BindingDB Entry DOI: 10.7270/Q2QN66F8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50309602
PNG
((+)-3-(2-(2-methyl-1,2,3,4-tetrahydroisoquinolin-1...)
Show SMILES CN1CCc2ccccc2C1CCc1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C21H21N3/c1-24-11-10-16-4-2-3-5-18(16)21(24)9-7-17-14-23-20-8-6-15(13-22)12-19(17)20/h2-6,8,12,14,21,23H,7,9-11H2,1H3
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n/an/a 0.420n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cells


Bioorg Med Chem Lett 20: 1027-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.043
BindingDB Entry DOI: 10.7270/Q2125SSB
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(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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n/an/a 0.440n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


Article DOI: 10.1021/jm00150a012
BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50330813
PNG
(3-[(1S,3R)-3-Dimethylaminocyclopentyl]-1H-indole-5...)
Show SMILES CN(C)[C@@H]1CC[C@@H](C1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C16H19N3/c1-19(2)13-5-4-12(8-13)15-10-18-16-6-3-11(9-17)7-14(15)16/h3,6-7,10,12-13,18H,4-5,8H2,1-2H3/t12-,13+/m0/s1
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n/an/a 0.480n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50173715
PNG
((+)3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1...)
Show SMILES CN(C)C[C@H]1C[C@@H]1c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)14-8-17-15-4-3-10(7-16)5-13(14)15/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12+/m1/s1
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n/an/a 0.480n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human SERT


Bioorg Med Chem Lett 17: 5647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.083
BindingDB Entry DOI: 10.7270/Q2KP82Z6
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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n/an/a 0.480n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-HT uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


Article DOI: 10.1021/jm00150a012
BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50173715
PNG
((+)3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1...)
Show SMILES CN(C)C[C@H]1C[C@@H]1c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)14-8-17-15-4-3-10(7-16)5-13(14)15/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12+/m1/s1
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n/an/a 0.480n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
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