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Compile Data Set for Download or QSAR

Found 8245 hits Enz. Inhib. hit(s) with Target = 'Monoamine transporters; serotonin & dopamine'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent dopamine 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 0.00200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of DAT


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))
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 dopamine 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 0.0590n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of DAT


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))
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


(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


(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


(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 dopamine transporter


(Homo sapiens (human))
BDBM50067772
PNG
(CHEMBL343369 | Rhenium complex of 3-(2-Bromo-2,2,2...)
Show SMILES CN1C2CCC1[C@@H](COC(=O)CC[S+]1CC[S+](C)[Re]1(Br)(C=O)(C=O)C=O)[C@H](C2)c1ccc(F)cc1
Show InChI InChI=1S/C21H30FNO2S2.3CHO.BrH.Re/c1-23-17-7-8-20(23)19(14-25-21(24)9-10-27-12-11-26-2)18(13-17)15-3-5-16(22)6-4-15;3*1-2;;/h3-6,17-20H,7-14H2,1-2H3;3*1H;1H;/q;;;;;+3/p-1/t17?,18-,19+,20?;;;;;/m1...../s1
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n/an/a 0.146n/an/an/an/an/an/a



Institut f£r Bioanorganische und Radiopharmazeutische Chemie

Curated by ChEMBL


Assay Description
The compound was tested in vitro for high binding affinity for the Dopamine transporter (DAT) using competitive binding assay.


J Med Chem 41: 4429-32 (1998)


Article DOI: 10.1021/jm981008a
BindingDB Entry DOI: 10.7270/Q2GH9JNP
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


(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 dopamine 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 0.200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of DAT


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))
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 dopamine transporter


(Homo sapiens (human))
BDBM50067771
PNG
(3-(2-Methylsulfanyl-ethylsulfanyl)-propionic acid ...)
Show SMILES CSCCSCCC(=O)OC[C@@H]1C2CCC(C[C@@H]1c1ccc(F)cc1)N2C
Show InChI InChI=1S/C21H30FNO2S2/c1-23-17-7-8-20(23)19(14-25-21(24)9-10-27-12-11-26-2)18(13-17)15-3-5-16(22)6-4-15/h3-6,17-20H,7-14H2,1-2H3/t17?,18-,19+,20?/m1/s1
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n/an/a 0.227n/an/an/an/an/an/a



Institut f£r Bioanorganische und Radiopharmazeutische Chemie

Curated by ChEMBL


Assay Description
The compound was tested in vitro for high binding affinity for the Dopamine transporter (DAT) using competitive binding assay.


J Med Chem 41: 4429-32 (1998)


Article DOI: 10.1021/jm981008a
BindingDB Entry DOI: 10.7270/Q2GH9JNP
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 dopamine transporter


(Homo sapiens (human))
BDBM50260904
PNG
((1R,2R,3S,5S)-2-(2,2-dibromovinyl)-8-methyl-3-p-to...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@@H](C=C(Br)Br)[C@H](C2)c1ccc(C)cc1
Show InChI InChI=1S/C17H21Br2N/c1-11-3-5-12(6-4-11)14-9-13-7-8-16(20(13)2)15(14)10-17(18)19/h3-6,10,13-16H,7-9H2,1-2H3/t13-,14+,15-,16+/m0/s1
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n/an/a 0.230n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from dopamine transporter


Bioorg Med Chem 16: 5529-35 (2008)


Article DOI: 10.1016/j.bmc.2008.04.008
BindingDB Entry DOI: 10.7270/Q2057GTJ
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)
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 dopamine transporter


(Homo sapiens (human))
BDBM50102589
PNG
(3-(3,4-Dichloro-phenyl)-7-hydroxy-8-methyl-8-aza-b...)
Show SMILES COC(=O)C1C2[C@H](O)C[C@H](CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO3/c1-19-9-6-10(8-3-4-11(17)12(18)5-8)14(16(21)22-2)15(19)13(20)7-9/h3-5,9-10,13-15,20H,6-7H2,1-2H3/t9-,10?,13+,14?,15?/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
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


(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


(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))
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 dopamine transporter


(Homo sapiens (human))
BDBM50260905
PNG
((1R,2R,3S,5S)-3-(4-chlorophenyl)-2-(2,2-dibromovin...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@@H](C=C(Br)Br)[C@H](C2)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H18Br2ClN/c1-20-12-6-7-15(20)14(9-16(17)18)13(8-12)10-2-4-11(19)5-3-10/h2-5,9,12-15H,6-8H2,1H3/t12-,13+,14-,15+/m0/s1
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n/an/a 0.320n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from dopamine transporter


Bioorg Med Chem 16: 5529-35 (2008)


Article DOI: 10.1016/j.bmc.2008.04.008
BindingDB Entry DOI: 10.7270/Q2057GTJ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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


(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
Monoamine transporters; serotonin & dopamine


(Homo sapiens (human))
BDBM50004167
PNG
((2R,3S)-3-(4-Chloro-phenyl)-2-((E)-2-chloro-vinyl)...)
Show SMILES CN1C2CCC1[C@@H](\C=C\Cl)[C@H](C2)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H19Cl2N/c1-19-13-6-7-16(19)14(8-9-17)15(10-13)11-2-4-12(18)5-3-11/h2-5,8-9,13-16H,6-7,10H2,1H3/b9-8+/t13?,14-,15+,16?/m0/s1
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n/an/a 0.360n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol from dopamine transporter


Bioorg Med Chem Lett 3: 1327-1332 (1993)


Article DOI: 10.1016/S0960-894X(00)80341-8
BindingDB Entry DOI: 10.7270/Q2RJ4JZN
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 dopamine transporter


(Homo sapiens (human))
BDBM50334460
PNG
(((1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicy...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(I)cc1)C(=O)N1CCCC1
Show InChI InChI=1S/C19H25IN2O/c1-21-15-8-9-17(21)18(19(23)22-10-2-3-11-22)16(12-15)13-4-6-14(20)7-5-13/h4-7,15-18H,2-3,8-12H2,1H3/t15-,16+,17+,18-/m0/s1
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n/an/a 0.370n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of DAT


Bioorg Med Chem Lett 21: 38-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.075
BindingDB Entry DOI: 10.7270/Q20K28VR
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 dopamine transporter


(Homo sapiens (human))
BDBM50035730
PNG
(3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3
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n/an/a 0.380n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50035730
PNG
(3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3
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n/an/a 0.400n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to the dopamine transporter in cynomolgus (macaca fascicularis) monkey caudate putamen.


J Med Chem 43: 2982-91 (2000)


Article DOI: 10.1021/jm000191g
BindingDB Entry DOI: 10.7270/Q2CZ37VX
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50035730
PNG
(3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3
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n/an/a 0.400n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to the dopamine transporter in cynomolgus (macaca fascicularis) monkey caudate putamen.


J Med Chem 43: 2982-91 (2000)


Article DOI: 10.1021/jm000191g
BindingDB Entry DOI: 10.7270/Q2CZ37VX
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50035730
PNG
(3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3
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n/an/a 0.400n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to the dopamine transporter in cynomolgus (macaca fascicularis) monkey caudate putamen.


J Med Chem 43: 2982-91 (2000)


Article DOI: 10.1021/jm000191g
BindingDB Entry DOI: 10.7270/Q2CZ37VX
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


(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))
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 dopamine transporter


(Homo sapiens (human))
BDBM50035730
PNG
(3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3
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n/an/a 0.400n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
inhibition of [3H]WIN-35428 binding to the dopamine transporter (DAT) in monkey caudate-putamen.


J Med Chem 40: 2661-73 (1997)


Article DOI: 10.1021/jm9703045
BindingDB Entry DOI: 10.7270/Q23T9HXJ
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 dopamine transporter


(Homo sapiens (human))
BDBM50063324
PNG
(8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C
Show InChI InChI=1S/C20H23NO2/c1-21-16-9-10-18(21)19(20(22)23-2)17(12-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-19H,9-10,12H2,1-2H3
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n/an/a 0.490n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50063324
PNG
(8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C
Show InChI InChI=1S/C20H23NO2/c1-21-16-9-10-18(21)19(20(22)23-2)17(12-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-19H,9-10,12H2,1-2H3
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n/an/a 0.490n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to the dopamine transporter in cynomolgus (macaca fascicularis) monkey caudate putamen.


J Med Chem 43: 2982-91 (2000)


Article DOI: 10.1021/jm000191g
BindingDB Entry DOI: 10.7270/Q2CZ37VX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50151993
PNG
(3-{4-[4-(4-Hydroxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES Oc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C23H26N4O/c24-16-18-4-9-23-22(15-18)19(17-25-23)3-1-2-10-26-11-13-27(14-12-26)20-5-7-21(28)8-6-20/h4-9,15,17,25,28H,1-3,10-14H2
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n/an/a 0.5n/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))
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 0.5n/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))
BDBM50151984
PNG
(3-{4-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C24H28N4O/c1-29-22-8-6-21(7-9-22)28-14-12-27(13-15-28)11-3-2-4-20-18-26-24-10-5-19(17-25)16-23(20)24/h5-10,16,18,26H,2-4,11-15H2,1H3
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n/an/a 0.5n/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))
BDBM50151994
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES Oc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C24H29N3O3/c28-20-5-6-22-21(16-20)18(17-25-22)3-1-2-8-26-9-11-27(12-10-26)19-4-7-23-24(15-19)30-14-13-29-23/h4-7,15-17,25,28H,1-3,8-14H2
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n/an/a 0.5n/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))
BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from Serotonin transporter of rat caudate putamen


J Med Chem 48: 3337-43 (2005)


Article DOI: 10.1021/jm0490235
BindingDB Entry DOI: 10.7270/Q25T3M8M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50021214
PNG
(CHEMBL300019 | CHEMBL537996 | [3-(3,4-Dichloro-phe...)
Show SMILES CNC1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17/h3-8,13,17,20H,9H2,1-2H3
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n/an/a 0.530n/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 dopamine transporter


(Homo sapiens (human))
BDBM50090975
PNG
(8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES COC(=O)[C@@H]1C2CCC(CC1c1ccc3ccccc3c1)N2C
Show InChI InChI=1S/C20H23NO2/c1-21-16-9-10-18(21)19(20(22)23-2)17(12-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-19H,9-10,12H2,1-2H3/t16?,17?,18?,19-/m0/s1
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n/an/a 0.570n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to the dopamine transporter in cynomolgus (macaca fascicularis) monkey caudate putamen.


J Med Chem 43: 2982-91 (2000)


Article DOI: 10.1021/jm000191g
BindingDB Entry DOI: 10.7270/Q2CZ37VX
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50063324
PNG
(8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C
Show InChI InChI=1S/C20H23NO2/c1-21-16-9-10-18(21)19(20(22)23-2)17(12-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-19H,9-10,12H2,1-2H3
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n/an/a 0.570n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50127392
PNG
(3-(4-Chloro-3-methyl-phenyl)-8-methyl-8-aza-bicycl...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2C
Show InChI InChI=1S/C17H22ClNO2/c1-10-8-11(4-6-14(10)18)13-9-12-5-7-15(19(12)2)16(13)17(20)21-3/h4,6,8,12-13,15-16H,5,7,9H2,1-3H3/t12-,13-,15?,16?/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of dopamine (DA) reuptake using cloned human dopamine transporter was determined


J Med Chem 46: 1775-94 (2003)


Article DOI: 10.1021/jm030092d
BindingDB Entry DOI: 10.7270/Q2FF3T3J
More data for this
Ligand-Target Pair
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