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Compile Data Set for Download or QSAR

Found 87 hits of ec50 data for polymerid = 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))
BDBM30132
PNG
(CHEMBL450907 | tetrahydrofuranyl ethylamine, 15)
Show SMILES COc1ccc(F)cc1CCCC1CCC(CCN)O1
Show InChI InChI=1S/C16H24FNO2/c1-19-16-8-5-13(17)11-12(16)3-2-4-14-6-7-15(20-14)9-10-18/h5,8,11,14-15H,2-4,6-7,9-10,18H2,1H3
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PubMed
1.10 -12.1n/an/a 2.30n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM30131
PNG
(tetrahydrofuranyl ethylamine, 14)
Show SMILES COc1ccc(F)cc1CCC1CCC(CCN)O1
Show InChI InChI=1S/C15H22FNO2/c1-18-15-7-3-12(16)10-11(15)2-4-13-5-6-14(19-13)8-9-17/h3,7,10,13-14H,2,4-6,8-9,17H2,1H3
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2.10 -11.7n/an/a 2.5n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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n/an/an/an/a 2.70n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human SERT-mediated serotonin reuptake in HEK293 cells


ACS Med Chem Lett 2: 656-661 (2011)


Article DOI: 10.1021/ml2000033
BindingDB Entry DOI: 10.7270/Q2S75HBR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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1.10 -12.1n/an/a 7.30n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM30133
PNG
(tetrahydrofuranyl ethylamine, 24)
Show SMILES CNCCC1CCC(CCc2cc(F)ccc2OC)O1
Show InChI InChI=1S/C16H24FNO2/c1-18-10-9-15-7-6-14(20-15)5-3-12-11-13(17)4-8-16(12)19-2/h4,8,11,14-15,18H,3,5-7,9-10H2,1-2H3
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PubMed
21.2 -10.4n/an/a 18.4n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50236718
PNG
(CHEMBL4094396)
Show SMILES CNC(C)C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C11H15NO/c1-8-4-6-10(7-5-8)11(13)9(2)12-3/h4-7,9,12H,1-3H3
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n/an/an/an/a 118n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake in HEK cells expressing human Dopamine transporter


J Med Chem 60: 2605-2628 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM30128
PNG
(phthalazinone, 21)
Show SMILES COc1ccc(F)c(CCC2CCC(CCNCCCCCN3N=C(C4CC=CCC4C3=O)c3ccc(OC)c(OC)c3)O2)c1
Show InChI InChI=1S/C36H48FN3O5/c1-42-29-16-17-32(37)25(23-29)11-13-27-14-15-28(45-27)19-21-38-20-7-4-8-22-40-36(41)31-10-6-5-9-30(31)35(39-40)26-12-18-33(43-2)34(24-26)44-3/h5-6,12,16-18,23-24,27-28,30-31,38H,4,7-11,13-15,19-22H2,1-3H3
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156 -9.19n/an/a 127n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50299798
PNG
(4-(2-(3-chlorophenoxy)phenyl)piperidine | CHEMBL57...)
Show SMILES Clc1cccc(Oc2ccccc2C2CCNCC2)c1
Show InChI InChI=1S/C17H18ClNO/c18-14-4-3-5-15(12-14)20-17-7-2-1-6-16(17)13-8-10-19-11-9-13/h1-7,12-13,19H,8-11H2
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n/an/an/an/a 186n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50236725
PNG
(CHEMBL4061726)
Show SMILES CNC(C)C(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C11H12F3NO/c1-7(15-2)10(16)8-3-5-9(6-4-8)11(12,13)14/h3-7,15H,1-2H3
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n/an/an/an/a 190n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Activity at SERT (unknown origin) assessed as release of [3H]HT


J Med Chem 60: 2605-2628 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM30129
PNG
(phthalazinone, 22)
Show SMILES COc1ccc(F)c(CCCC2CCC(CCNCCCCCN3N=C(C4CC=CCC4C3=O)c3ccc(OC)c(OC)c3)O2)c1
Show InChI InChI=1S/C37H50FN3O5/c1-43-30-17-18-33(38)26(24-30)10-9-11-28-15-16-29(46-28)20-22-39-21-7-4-8-23-41-37(42)32-13-6-5-12-31(32)36(40-41)27-14-19-34(44-2)35(25-27)45-3/h5-6,14,17-19,24-25,28-29,31-32,39H,4,7-13,15-16,20-23H2,1-3H3
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194 -9.06n/an/a 194n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM22418
PNG
(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)N2C
Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1
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601n/an/an/a 318n/an/an/an/a



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM22409
PNG
(5-(4-chlorophenyl)-2-[(1R,2S,3S,5S)-8-methyl-3-(4-...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H25ClN2S/c1-15-3-5-16(6-4-15)20-13-19-11-12-21(27(19)2)23(20)24-26-14-22(28-24)17-7-9-18(25)10-8-17/h3-10,14,19-21,23H,11-13H2,1-2H3/t19-,20+,21+,23-/m0/s1
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1.32E+3n/an/an/a 377n/an/an/an/a



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50309519
PNG
(2-(2-chloro-6-fluorophenoxy)-3-(piperidin-4-yl)pyr...)
Show SMILES Fc1cccc(Cl)c1Oc1ncccc1C1CCNCC1
Show InChI InChI=1S/C16H16ClFN2O/c17-13-4-1-5-14(18)15(13)21-16-12(3-2-8-20-16)11-6-9-19-10-7-11/h1-5,8,11,19H,6-7,9-10H2
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n/an/an/an/a 409n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at SERT


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM22418
PNG
(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)N2C
Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1
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276 -8.85n/an/a 416n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50299783
PNG
(4-(2-fluoro-6-(3-fluorophenoxy)phenyl)piperidine |...)
Show SMILES Fc1cccc(Oc2cccc(F)c2C2CCNCC2)c1
Show InChI InChI=1S/C17H17F2NO/c18-13-3-1-4-14(11-13)21-16-6-2-5-15(19)17(16)12-7-9-20-10-8-12/h1-6,11-12,20H,7-10H2
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n/an/an/an/a 915n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50309505
PNG
(4-(2-fluoro-6-(2-fluorophenoxy)phenyl)piperidine |...)
Show SMILES Fc1ccccc1Oc1cccc(F)c1C1CCNCC1
Show InChI InChI=1S/C17H17F2NO/c18-13-4-1-2-6-15(13)21-16-7-3-5-14(19)17(16)12-8-10-20-11-9-12/h1-7,12,20H,8-11H2
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n/an/an/an/a 915n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at SERT


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50010588
PNG
((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...)
Show SMILES CNC(C)Cc1ccc2OCOc2c1
Show InChI InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3
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n/an/an/an/a 1.00E+3n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity to human SERT expressed in HEK293 cells assessed as induction of [3H]5-HT release by liquid scintillation counting method


Bioorg Med Chem 23: 5574-9 (2015)


Article DOI: 10.1016/j.bmc.2015.07.035
BindingDB Entry DOI: 10.7270/Q2TH8PGT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM22399
PNG
(2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-aza...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H22ClFN2S/c1-27-18-10-11-20(27)22(19(12-18)14-2-6-16(24)7-3-14)23-26-13-21(28-23)15-4-8-17(25)9-5-15/h2-9,13,18-20,22H,10-12H2,1H3/t18-,19+,20+,22-/m0/s1
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653n/an/an/a 1.01E+3n/an/an/an/a



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50299788
PNG
(4-(2-(3-fluorophenoxy)phenyl)piperidine | CHEMBL58...)
Show SMILES Fc1cccc(Oc2ccccc2C2CCNCC2)c1
Show InChI InChI=1S/C17H18FNO/c18-14-4-3-5-15(12-14)20-17-7-2-1-6-16(17)13-8-10-19-11-9-13/h1-7,12-13,19H,8-11H2
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n/an/an/an/a 1.02E+3n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50234225
PNG
(CHEMBL4083258)
Show SMILES CCCCCN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C24H29FN2O/c1-3-4-5-14-27(2)15-6-13-24(21-8-10-22(25)11-9-21)23-12-7-19(17-26)16-20(23)18-28-24/h7-12,16H,3-6,13-15,18H2,1-2H3/t24-/m0/s1
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n/an/an/an/a 1.60E+3n/an/an/an/a



3D-2drug, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-S-citalopram dissociation from human SERT allosteric modulator site (S2) expressed in African green monkey COS7 cell membranes aft...


Bioorg Med Chem Lett 27: 470-478 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.037
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM22404
PNG
(2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-aza...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H22ClN3O2S/c1-26-17-9-10-20(26)22(19(12-17)14-5-7-16(24)8-6-14)23-25-13-21(30-23)15-3-2-4-18(11-15)27(28)29/h2-8,11,13,17,19-20,22H,9-10,12H2,1H3/t17-,19+,20+,22-/m0/s1
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740n/an/an/a 1.61E+3n/an/an/an/a



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50299792
PNG
(4-(3-fluoro-2-phenoxyphenyl)piperidine | CHEMBL583...)
Show SMILES Fc1cccc(C2CCNCC2)c1Oc1ccccc1
Show InChI InChI=1S/C17H18FNO/c18-16-8-4-7-15(13-9-11-19-12-10-13)17(16)20-14-5-2-1-3-6-14/h1-8,13,19H,9-12H2
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n/an/an/an/a 1.76E+3n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50022723
PNG
((+)-(S)-amphetamine | (+)-alpha-methylphenethylami...)
Show SMILES C[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
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n/an/an/an/a 1.77E+3n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human SERT cloned in rat brain synaptosome by scintillation counting


Bioorg Med Chem 19: 7044-8 (2011)


Article DOI: 10.1016/j.bmc.2011.10.007
BindingDB Entry DOI: 10.7270/Q2765FR0
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM22419
PNG
(5-(4-bromophenyl)-2-[(1R,2S,3S,5S)-8-methyl-3-(4-m...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C24H25BrN2S/c1-15-3-5-16(6-4-15)20-13-19-11-12-21(27(19)2)23(20)24-26-14-22(28-24)17-7-9-18(25)10-8-17/h3-10,14,19-21,23H,11-13H2,1-2H3/t19-,20+,21+,23-/m0/s1
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1.87E+3n/an/an/a 1.84E+3n/an/an/an/a



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50023181
PNG
(CHEMBL3298876)
Show SMILES CCNC(C)C(=O)c1ccccc1
Show InChI InChI=1S/C11H15NO/c1-3-12-9(2)11(13)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3
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n/an/an/an/a 2.12E+3n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Induction of SERT (unknown origin)-mediated serotonin release


ACS Med Chem Lett 5: 623-7 (2014)


Article DOI: 10.1021/ml500113s
BindingDB Entry DOI: 10.7270/Q2FN17SS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM22412
PNG
(2-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-aza...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C24H25N3O2S/c1-15-6-8-16(9-7-15)20-13-18-10-11-21(26(18)2)23(20)24-25-14-22(30-24)17-4-3-5-19(12-17)27(28)29/h3-9,12,14,18,20-21,23H,10-11,13H2,1-2H3/t18-,20+,21+,23-/m0/s1
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580n/an/an/a 2.38E+3n/an/an/an/a



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM22398
PNG
(2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-aza...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccccc1
Show InChI InChI=1S/C23H23ClN2S/c1-26-18-11-12-20(26)22(19(13-18)15-7-9-17(24)10-8-15)23-25-14-21(27-23)16-5-3-2-4-6-16/h2-10,14,18-20,22H,11-13H2,1H3/t18-,19+,20+,22-/m0/s1
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2.67E+3n/an/an/a 2.71E+3n/an/an/an/a



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50234232
PNG
(CHEMBL4097442)
Show SMILES CCCCN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C23H27FN2O/c1-3-4-13-26(2)14-5-12-23(20-7-9-21(24)10-8-20)22-11-6-18(16-25)15-19(22)17-27-23/h6-11,15H,3-5,12-14,17H2,1-2H3/t23-/m0/s1
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n/an/an/an/a 2.90E+3n/an/an/an/a



3D-2drug, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-S-citalopram dissociation from human SERT allosteric modulator site (S2) expressed in African green monkey COS7 cell membranes aft...


Bioorg Med Chem Lett 27: 470-478 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.037
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50299797
PNG
(1-(2-(benzyloxy)phenyl)piperazine | CHEMBL582928)
Show SMILES C(Oc1ccccc1N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C17H20N2O/c1-2-6-15(7-3-1)14-20-17-9-5-4-8-16(17)19-12-10-18-11-13-19/h1-9,18H,10-14H2
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n/an/an/an/a 2.93E+3n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM22411
PNG
(2-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-aza...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C24H25N3O2S/c1-15-3-5-16(6-4-15)20-13-19-11-12-21(26(19)2)23(20)24-25-14-22(30-24)17-7-9-18(10-8-17)27(28)29/h3-10,14,19-21,23H,11-13H2,1-2H3/t19-,20+,21+,23-/m0/s1
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1.64E+3n/an/an/a 3.17E+3n/an/an/an/a



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM22408
PNG
(5-(4-fluorophenyl)-2-[(1R,2S,3S,5S)-8-methyl-3-(4-...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H25FN2S/c1-15-3-5-16(6-4-15)20-13-19-11-12-21(27(19)2)23(20)24-26-14-22(28-24)17-7-9-18(25)10-8-17/h3-10,14,19-21,23H,11-13H2,1-2H3/t19-,20+,21+,23-/m0/s1
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1.72E+3n/an/an/a 3.20E+3n/an/an/an/a



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM22403
PNG
(2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-aza...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H22ClN3O2S/c1-26-18-10-11-20(26)22(19(12-18)14-2-6-16(24)7-3-14)23-25-13-21(30-23)15-4-8-17(9-5-15)27(28)29/h2-9,13,18-20,22H,10-12H2,1H3/t18-,19+,20+,22-/m0/s1
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1.82E+3n/an/an/a 3.60E+3n/an/an/an/a



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM22410
PNG
(5-(3-bromophenyl)-2-[(1R,2S,3S,5S)-8-methyl-3-(4-m...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1cccc(Br)c1
Show InChI InChI=1S/C24H25BrN2S/c1-15-6-8-16(9-7-15)20-13-19-10-11-21(27(19)2)23(20)24-26-14-22(28-24)17-4-3-5-18(25)12-17/h3-9,12,14,19-21,23H,10-11,13H2,1-2H3/t19-,20+,21+,23-/m0/s1
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870n/an/an/a 3.86E+3n/an/an/an/a



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM86285
PNG
(CAS_1576 | Methcathinone, (-) | NSC_1576)
Show SMILES CNC(C)C(=O)c1ccccc1
Show InChI InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3
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n/an/an/an/a 3.86E+3n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Activity at SERT (unknown origin) assessed as release of [3H]HT


J Med Chem 60: 2605-2628 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM22402
PNG
(5-(3-bromophenyl)-2-[(1R,2S,3S,5S)-3-(4-chlorophen...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1cccc(Br)c1
Show InChI InChI=1S/C23H22BrClN2S/c1-27-18-9-10-20(27)22(19(12-18)14-5-7-17(25)8-6-14)23-26-13-21(28-23)15-3-2-4-16(24)11-15/h2-8,11,13,18-20,22H,9-10,12H2,1H3/t18-,19+,20+,22-/m0/s1
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1.50E+3n/an/an/a 4.00E+3n/an/an/an/a



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM22400
PNG
(5-(4-chlorophenyl)-2-[(1R,2S,3S,5S)-3-(4-chlorophe...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H22Cl2N2S/c1-27-18-10-11-20(27)22(19(12-18)14-2-6-16(24)7-3-14)23-26-13-21(28-23)15-4-8-17(25)9-5-15/h2-9,13,18-20,22H,10-12H2,1H3/t18-,19+,20+,22-/m0/s1
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2.39E+3n/an/an/a 4.40E+3n/an/an/an/a



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM22414
PNG
(5-(3,4-dichlorophenyl)-2-[(1R,2S,3S,5S)-8-methyl-3...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H24Cl2N2S/c1-14-3-5-15(6-4-14)18-12-17-8-10-21(28(17)2)23(18)24-27-13-22(29-24)16-7-9-19(25)20(26)11-16/h3-7,9,11,13,17-18,21,23H,8,10,12H2,1-2H3/t17-,18+,21+,23-/m0/s1
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2.94E+3n/an/an/a 4.40E+3n/an/an/an/a



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50302225
PNG
((1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl...)
Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1
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n/an/an/an/a 5.10E+3n/an/an/an/a



3D-2drug, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-S-citalopram dissociation from SERT allosteric modulator site (S2) (unknown origin) expressed in African green monkey COS1 cell me...


Bioorg Med Chem Lett 27: 470-478 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.037
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM22406
PNG
(2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-aza...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H21Cl3N2S/c1-28-16-7-9-20(28)22(17(11-16)13-2-5-15(24)6-3-13)23-27-12-21(29-23)14-4-8-18(25)19(26)10-14/h2-6,8,10,12,16-17,20,22H,7,9,11H2,1H3/t16-,17+,20+,22-/m0/s1
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2.71E+3n/an/an/a 5.30E+3n/an/an/an/a



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50302225
PNG
((1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl...)
Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1
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n/an/an/an/a 5.80E+3n/an/an/an/a



3D-2drug, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-S-citalopram dissociation from human SERT allosteric modulator site (S2) expressed in African green monkey COS7 cell membranes aft...


Bioorg Med Chem Lett 27: 470-478 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.037
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50234222
PNG
(CHEMBL4100796)
Show SMILES CCCN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C22H25FN2O/c1-3-12-25(2)13-4-11-22(19-6-8-20(23)9-7-19)21-10-5-17(15-24)14-18(21)16-26-22/h5-10,14H,3-4,11-13,16H2,1-2H3/t22-/m0/s1
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n/an/an/an/a 5.90E+3n/an/an/an/a



3D-2drug, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-S-citalopram dissociation from human SERT allosteric modulator site (S2) expressed in African green monkey COS7 cell membranes aft...


Bioorg Med Chem Lett 27: 470-478 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.037
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM22405
PNG
(2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-aza...)
Show SMILES COc1ccc(cc1)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C
Show InChI InChI=1S/C24H25ClN2OS/c1-27-18-9-12-21(27)23(20(13-18)15-3-7-17(25)8-4-15)24-26-14-22(29-24)16-5-10-19(28-2)11-6-16/h3-8,10-11,14,18,20-21,23H,9,12-13H2,1-2H3/t18-,20+,21+,23-/m0/s1
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5.20E+3n/an/an/a 6.70E+3n/an/an/an/a



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM22407
PNG
(2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-aza...)
Show SMILES COc1ccc(cc1OC)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C
Show InChI InChI=1S/C25H27ClN2O2S/c1-28-18-9-10-20(28)24(19(13-18)15-4-7-17(26)8-5-15)25-27-14-23(31-25)16-6-11-21(29-2)22(12-16)30-3/h4-8,11-12,14,18-20,24H,9-10,13H2,1-3H3/t18-,19+,20+,24-/m0/s1
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3.59E+3n/an/an/a>6.80E+3n/an/an/an/a



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM22413
PNG
(5-(4-methoxyphenyl)-2-[(1R,2S,3S,5S)-8-methyl-3-(4...)
Show SMILES COc1ccc(cc1)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C25H28N2OS/c1-16-4-6-17(7-5-16)21-14-19-10-13-22(27(19)2)24(21)25-26-15-23(29-25)18-8-11-20(28-3)12-9-18/h4-9,11-12,15,19,21-22,24H,10,13-14H2,1-3H3/t19-,21+,22+,24-/m0/s1
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3.67E+3n/an/an/a 6.80E+3n/an/an/an/a



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50234231
PNG
(CHEMBL4093087)
Show SMILES CCN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C21H23FN2O/c1-3-24(2)12-4-11-21(18-6-8-19(22)9-7-18)20-10-5-16(14-23)13-17(20)15-25-21/h5-10,13H,3-4,11-12,15H2,1-2H3/t21-/m0/s1
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n/an/an/an/a 7.70E+3n/an/an/an/a



3D-2drug, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-S-citalopram dissociation from human SERT allosteric modulator site (S2) expressed in African green monkey COS7 cell membranes aft...


Bioorg Med Chem Lett 27: 470-478 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.037
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM22401
PNG
(5-(4-bromophenyl)-2-[(1R,2S,3S,5S)-3-(4-chlorophen...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C23H22BrClN2S/c1-27-18-10-11-20(27)22(19(12-18)14-4-8-17(25)9-5-14)23-26-13-21(28-23)15-2-6-16(24)7-3-15/h2-9,13,18-20,22H,10-12H2,1H3/t18-,19+,20+,22-/m0/s1
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5.70E+3n/an/an/a 8.22E+3n/an/an/an/a



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM25870
PNG
(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3
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n/an/an/an/a 8.70E+3n/an/an/an/a



3D-2drug, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-S-citalopram dissociation from SERT allosteric modulator site (S2) (unknown origin) expressed in African green monkey COS1 cell me...


Bioorg Med Chem Lett 27: 470-478 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.037
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50234227
PNG
(CHEMBL4071311)
Show SMILES CN(C)CCCC1(OCc2ccccc12)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C19H21Cl2NO/c1-22(2)9-5-8-19(15-10-16(20)12-17(21)11-15)18-7-4-3-6-14(18)13-23-19/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3
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n/an/an/an/a 8.80E+3n/an/an/an/a



3D-2drug, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-S-citalopram dissociation from SERT allosteric modulator site (S2) (unknown origin) expressed in African green monkey COS1 cell me...


Bioorg Med Chem Lett 27: 470-478 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.037
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM22415
PNG
(5-(3,4-dimethoxyphenyl)-2-[(1R,2S,3S,5S)-8-methyl-...)
Show SMILES COc1ccc(cc1OC)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C26H30N2O2S/c1-16-5-7-17(8-6-16)20-14-19-10-11-21(28(19)2)25(20)26-27-15-24(31-26)18-9-12-22(29-3)23(13-18)30-4/h5-9,12-13,15,19-21,25H,10-11,14H2,1-4H3/t19-,20+,21+,25-/m0/s1
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7.71E+3n/an/an/a>1.00E+4n/an/an/an/a



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Monoamine transporter


(Homo sapiens (Human))
BDBM50236774
PNG
(CHEMBL4105127)
Show SMILES CCCOC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C22H22ClN5O4S/c1-3-8-32-21(31)22-9-12(22)16(17(29)18(22)30)28-10-25-15-19(24-2)26-14(27-20(15)28)7-5-11-4-6-13(23)33-11/h4,6,10,12,16-18,29-30H,3,8-9H2,1-2H3,(H,24,26,27)/t12-,16-,17+,18+,22+/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Enhancing of [125I]RTI-55 binding to recombinant human SERT expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addit...


J Med Chem 60: 3109-3123 (2017)

More data for this
Ligand-Target Pair
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