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Compile Data Set for Download or QSAR

Found 3865 hits of ic50 for UniProtKB: P31645   
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))		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 |c:13|
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


(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 |r|
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 |r|
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
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 |TLB:11:10:20:6.7,THB:2:4:20:6.7|
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


(Homo sapiens (Human))		BDBM50028094
PNG
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
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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n/an/a 0.190n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SERT (unknown origin)

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01192
BindingDB Entry DOI: 10.7270/Q2XD15CH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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


(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 |r|
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


(Homo sapiens (Human))		BDBM50278521
PNG
((S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-...)
Show SMILES CCCCN(Cc1ccc2ccccc2c1)[C@H]1CCNC1 |r|
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


(Homo sapiens (Human))		BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|
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/t17-/m0/s1
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n/an/a 0.316n/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake

Bioorg Med Chem Lett 23: 1456-61 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.061
BindingDB Entry DOI: 10.7270/Q2XD14M7
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 |r|
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
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 |r|
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
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 |TLB:11:10:19:6.7,THB:2:4:19:6.7|
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))		BDBM50209166
PNG
(3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole-5-c...)
Show SMILES CN(C)C1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |w:3.2,c:6|
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 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))		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 |TLB:11:10:18:6.7,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/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))		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 |r|
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


(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 |c:6|
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))		BDBM50151982
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/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 0.400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SERT (unknown origin) in HEK293 cells assessed as inhibition of 5-HT reuptake by spectrophotometric analysis

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114045
BindingDB Entry DOI: 10.7270/Q29K4G4C
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50151982
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/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 0.400n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114347
BindingDB Entry DOI: 10.7270/Q2PG1WTJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50151982
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/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 0.400n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of SERT (unknown origin) expressed in HEK293 cells assessed as reduction in 5-HT uptake incubated for 30 mins

Bioorg Med Chem 26: 3117-3125 (2018)


Article DOI: 10.1016/j.bmc.2018.04.037
BindingDB Entry DOI: 10.7270/Q28P631Z
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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


(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 |r|
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

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))		BDBM50490602
PNG
(CHEMBL2338047)
Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(F)cc(Cl)cc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C17H16Cl2FNO/c18-13-8-14(19)17(15(20)9-13)22-16(12-6-7-21-10-12)11-4-2-1-3-5-11/h1-5,8-9,12,16,21H,6-7,10H2/t12-,16-/m0/s1
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n/an/a 0.501n/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake

Bioorg Med Chem Lett 23: 1456-61 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.061
BindingDB Entry DOI: 10.7270/Q2XD14M7
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 0.560n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cell membranes

Bioorg Med Chem Lett 23: 2948-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.045
BindingDB Entry DOI: 10.7270/Q2BC42G4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50209172
PNG
((S)-3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole...)
Show SMILES CN(C)[C@H]1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |c:6|
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-/m1/s1
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n/an/a 0.560n/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))		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 0.560n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in CHO cell membranes assessed as reduction in [3H]serotonin uptake preincubated for 10 mins followed by [3H]serot...

Bioorg Med Chem 25: 293-304 (2017)


Article DOI: 10.1016/j.bmc.2016.10.034
BindingDB Entry DOI: 10.7270/Q2571F0B
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50330814
PNG
(CHEMBL1275791 | [(1R,3S)-3-(5-Fluoro-1H-indol-3-yl...)
Show SMILES CN(C)[C@H]1CC[C@H](C1)c1c[nH]c2ccc(F)cc12 |r|
Show InChI InChI=1S/C15H19FN2/c1-18(2)12-5-3-10(7-12)14-9-17-15-6-4-11(16)8-13(14)15/h4,6,8-10,12,17H,3,5,7H2,1-2H3/t10-,12+/m1/s1
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n/an/a 0.630n/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))		BDBM50490607
PNG
(CHEMBL2338037)
Show SMILES [H][C@]1(CCNC1)[C@H](Oc1ccc(Cl)cc1OC)c1ccccc1 |r|
Show InChI InChI=1S/C18H20ClNO2/c1-21-17-11-15(19)7-8-16(17)22-18(14-9-10-20-12-14)13-5-3-2-4-6-13/h2-8,11,14,18,20H,9-10,12H2,1H3/t14-,18-/m1/s1
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n/an/a 0.631n/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake

Bioorg Med Chem Lett 23: 1456-61 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.061
BindingDB Entry DOI: 10.7270/Q2XD14M7
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50490636
PNG
(CHEMBL2337599)
Show SMILES [H][C@]1(CCNC1)[C@H](Oc1cccc(c1)C#N)c1ccccc1 |r|
Show InChI InChI=1S/C18H18N2O/c19-12-14-5-4-8-17(11-14)21-18(16-9-10-20-13-16)15-6-2-1-3-7-15/h1-8,11,16,18,20H,9-10,13H2/t16-,18-/m1/s1
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n/an/a 0.631n/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake

Bioorg Med Chem Lett 23: 1456-61 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.061
BindingDB Entry DOI: 10.7270/Q2XD14M7
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50352717
PNG
(CHEMBL1823213 | US8835436, Example 151)
Show SMILES Cc1nc(C(=O)NC[C@@H](O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1 |r|
Show InChI InChI=1S/C27H35N5O2/c1-19-9-8-12-25(20(19)2)31-15-13-30(14-16-31)18-24(33)17-28-27(34)26-21(3)32(22(4)29-26)23-10-6-5-7-11-23/h5-12,24,33H,13-18H2,1-4H3,(H,28,34)/t24-/m1/s1
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n/an/a 0.640n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...

US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50352717
PNG
(CHEMBL1823213 | US8835436, Example 151)
Show SMILES Cc1nc(C(=O)NC[C@@H](O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1 |r|
Show InChI InChI=1S/C27H35N5O2/c1-19-9-8-12-25(20(19)2)31-15-13-30(14-16-31)18-24(33)17-28-27(34)26-21(3)32(22(4)29-26)23-10-6-5-7-11-23/h5-12,24,33H,13-18H2,1-4H3,(H,28,34)/t24-/m1/s1
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n/an/a 0.640n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells

J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50459917
PNG
(CHEMBL4228747)
Show SMILES [H][C@]12CC[C@]([H])(CC(C1)Oc1ccc3oc(=O)c(C)cc3c1)N2 |r,TLB:9:7:22:3.2|
Show InChI InChI=1S/C17H19NO3/c1-10-6-11-7-14(4-5-16(11)21-17(10)19)20-15-8-12-2-3-13(9-15)18-12/h4-7,12-13,15,18H,2-3,8-9H2,1H3/t12-,13+,15?
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n/an/a 0.720n/an/an/an/an/an/a



Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL


Assay Description
Binding affinity to SERT (unknown origin)

J Med Chem 61: 2133-2165 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01827
BindingDB Entry DOI: 10.7270/Q2BV7K8M
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 |c:6|
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 0.720n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram 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))		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 |c:6|
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 0.720n/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))		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 |c:6|
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 0.720n/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))		BDBM50352719
PNG
(CHEMBL1823215 | US8835436, Example 152)
Show SMILES Cc1nc(C(=O)NC[C@@H](O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1F |r,wD:8.8,(16.59,-9.13,;17.37,-7.8,;18.91,-7.8,;19.39,-6.34,;20.72,-5.57,;20.72,-4.03,;22.05,-6.34,;23.39,-5.57,;24.72,-6.34,;24.72,-7.88,;26.06,-5.57,;27.39,-6.33,;28.71,-5.55,;30.04,-6.32,;30.05,-7.86,;28.71,-8.63,;27.37,-7.87,;31.38,-8.62,;32.71,-7.84,;34.05,-8.61,;34.05,-10.15,;32.71,-10.92,;32.71,-12.46,;31.38,-10.16,;30.05,-10.93,;18.14,-5.43,;18.14,-3.89,;16.89,-6.34,;15.56,-5.56,;15.57,-4.03,;14.24,-3.25,;12.89,-4.02,;12.9,-5.57,;14.23,-6.34,;14.24,-7.88,)|
Show InChI InChI=1S/C27H34FN5O2/c1-18-8-7-11-24(19(18)2)32-14-12-31(13-15-32)17-22(34)16-29-27(35)26-20(3)33(21(4)30-26)25-10-6-5-9-23(25)28/h5-11,22,34H,12-17H2,1-4H3,(H,29,35)/t22-/m1/s1
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n/an/a 0.75n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...

US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50352719
PNG
(CHEMBL1823215 | US8835436, Example 152)
Show SMILES Cc1nc(C(=O)NC[C@@H](O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1F |r,wD:8.8,(16.59,-9.13,;17.37,-7.8,;18.91,-7.8,;19.39,-6.34,;20.72,-5.57,;20.72,-4.03,;22.05,-6.34,;23.39,-5.57,;24.72,-6.34,;24.72,-7.88,;26.06,-5.57,;27.39,-6.33,;28.71,-5.55,;30.04,-6.32,;30.05,-7.86,;28.71,-8.63,;27.37,-7.87,;31.38,-8.62,;32.71,-7.84,;34.05,-8.61,;34.05,-10.15,;32.71,-10.92,;32.71,-12.46,;31.38,-10.16,;30.05,-10.93,;18.14,-5.43,;18.14,-3.89,;16.89,-6.34,;15.56,-5.56,;15.57,-4.03,;14.24,-3.25,;12.89,-4.02,;12.9,-5.57,;14.23,-6.34,;14.24,-7.88,)|
Show InChI InChI=1S/C27H34FN5O2/c1-18-8-7-11-24(19(18)2)32-14-12-31(13-15-32)17-22(34)16-29-27(35)26-20(3)33(21(4)30-26)25-10-6-5-9-23(25)28/h5-11,22,34H,12-17H2,1-4H3,(H,29,35)/t22-/m1/s1
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n/an/a 0.75n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells

J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50490626
PNG
(CHEMBL2337608)
Show SMILES [H][C@]1(CCNC1)[C@H](Oc1cc(Cl)cc(Cl)c1)c1ccccc1 |r|
Show InChI InChI=1S/C17H17Cl2NO/c18-14-8-15(19)10-16(9-14)21-17(13-6-7-20-11-13)12-4-2-1-3-5-12/h1-5,8-10,13,17,20H,6-7,11H2/t13-,17-/m1/s1
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n/an/a 0.794n/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake

Bioorg Med Chem Lett 23: 1456-61 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.061
BindingDB Entry DOI: 10.7270/Q2XD14M7
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50490612
PNG
(CHEMBL2337603)
Show SMILES [H][C@]1(CCNC1)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C17H17Cl2NO/c18-14-7-4-8-15(16(14)19)21-17(13-9-10-20-11-13)12-5-2-1-3-6-12/h1-8,13,17,20H,9-11H2/t13-,17-/m1/s1
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n/an/a 0.794n/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake

Bioorg Med Chem Lett 23: 1456-61 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.061
BindingDB Entry DOI: 10.7270/Q2XD14M7
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50010859
PNG
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
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n/an/a 0.880n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]imipramine from human recombinant 5HT transporter expressed in CHO cells measured after 60 mins by scintillation counting method

Bioorg Med Chem 25: 471-482 (2017)


Article DOI: 10.1016/j.bmc.2016.11.014
BindingDB Entry DOI: 10.7270/Q2CF9S3S
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50010859
PNG
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
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n/an/a 0.880n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]imipramine from human recombinant 5-HT transporter expressed in CHO cells

Bioorg Med Chem 24: 1793-810 (2016)


Article DOI: 10.1016/j.bmc.2016.03.006
BindingDB Entry DOI: 10.7270/Q2J67JS7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50330843
PNG
(3-[(1S,3S)-3-Dimethylaminocyclopentyl]-1H-indole-5...)
Show SMILES CN(C)[C@H]1CC[C@@H](C1)c1c[nH]c2ccc(cc12)C#N |r|
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 0.970n/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))		BDBM50490637
PNG
(CHEMBL2338049)
Show SMILES [H][C@]1(CCNC1)[C@H](Oc1c(F)ccc(F)c1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C17H16ClF2NO/c18-15-13(19)6-7-14(20)17(15)22-16(12-8-9-21-10-12)11-4-2-1-3-5-11/h1-7,12,16,21H,8-10H2/t12-,16-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake

Bioorg Med Chem Lett 23: 1456-61 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.061
BindingDB Entry DOI: 10.7270/Q2XD14M7
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50209175
PNG
(CHEMBL396537 | N,N-dimethyl-4-(5-nitro-1H-indol-3-...)
Show SMILES CN(C)C1CCC(=CC1)c1c[nH]c2ccc(cc12)[N+]([O-])=O |w:3.2,c:6|
Show InChI InChI=1S/C16H19N3O2/c1-18(2)12-5-3-11(4-6-12)15-10-17-16-8-7-13(19(20)21)9-14(15)16/h3,7-10,12,17H,4-6H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram 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))		BDBM50178374
PNG
(((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CO)cc12
Show InChI InChI=1S/C18H19Cl2NO/c1-21-18-7-5-13(12-3-6-16(19)17(20)9-12)14-4-2-11(10-22)8-15(14)18/h2-4,6,8-9,13,18,21-22H,5,7,10H2,1H3/t13-,18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin re-uptake at human serotonin transporter expressed in HEK293 cells

Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50178367
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C17H18Cl2N2O2S/c1-21-17-7-5-12(10-2-6-15(18)16(19)8-10)13-4-3-11(9-14(13)17)24(20,22)23/h2-4,6,8-9,12,17,21H,5,7H2,1H3,(H2,20,22,23)/t12-,17-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin re-uptake at human serotonin transporter expressed in HEK293 cells

Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50252172
PNG
(5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tet...)
Show SMILES CNC1CCC(c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C17H18Cl2N2O2S/c1-21-17-7-5-12(10-2-6-15(18)16(19)8-10)13-4-3-11(9-14(13)17)24(20,22)23/h2-4,6,8-9,12,17,21H,5,7H2,1H3,(H2,20,22,23)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells

Bioorg Med Chem Lett 18: 4018-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.001
BindingDB Entry DOI: 10.7270/Q2W37W4X
More data for this
Ligand-Target Pair
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