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10 similar compounds to monomer 84745

Compile data set for download or QSAR
Wt: 297.4
BDBM50136674
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Wt: 297.4
BDBM50136680
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Wt: 343.4
BDBM50148369
Wt: 313.4
BDBM50148370
Wt: 329.4
BDBM50148373
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Wt: 313.4
BDBM50148377
Wt: 343.4
BDBM50148378
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Wt: 313.4
BDBM50148379
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Wt: 283.3
BDBM50304388
Wt: 283.3
BDBM50304393

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 59 hits for monomerid = 50136674,50136680,50148369,50148370,50148373,50148377,50148378,50148379,50304388,50304393   
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))
BDBM50136680
PNG
(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1cccs1
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
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0.0700n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




Biol Psychiatry 55: 320-2 (2004)


BindingDB Entry DOI: 10.7270/Q2K64GMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50136680
PNG
(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1cccs1
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
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0.800n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Neuropharmacology 45: 935-44 (2003)


BindingDB Entry DOI: 10.7270/Q2VQ318R
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50136680
PNG
(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1cccs1
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
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1.17n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




Biol Psychiatry 55: 320-2 (2004)


BindingDB Entry DOI: 10.7270/Q2K64GMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50136680
PNG
(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1cccs1
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
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1.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to serotonin transporter, using [3H]-citalopram as radioligand


Bioorg Med Chem Lett 13: 4477-80 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.079
BindingDB Entry DOI: 10.7270/Q24J0DJH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50136674
PNG
((3R)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propa...)
Show SMILES CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1
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-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 17: 6890-7 (2009)


Article DOI: 10.1016/j.bmc.2009.08.025
BindingDB Entry DOI: 10.7270/Q2X34ZC2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50136680
PNG
(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1cccs1
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
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3.70n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




Biol Psychiatry 55: 320-2 (2004)


BindingDB Entry DOI: 10.7270/Q2K64GMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50136680
PNG
(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1cccs1
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
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5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50136680
PNG
(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1cccs1
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
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7.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Neuropharmacology 45: 935-44 (2003)


BindingDB Entry DOI: 10.7270/Q2VQ318R
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50304393
PNG
((R)-3-(Naphthalen-1-yloxy)-3-thiophen-2-yl-propyla...)
Show SMILES NCC[C@@H](Oc1cccc2ccccc12)c1cccs1
Show InChI InChI=1S/C17H17NOS/c18-11-10-16(17-9-4-12-20-17)19-15-8-3-6-13-5-1-2-7-14(13)15/h1-9,12,16H,10-11,18H2/t16-/m1/s1
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8.30n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 17: 6890-7 (2009)


Article DOI: 10.1016/j.bmc.2009.08.025
BindingDB Entry DOI: 10.7270/Q2X34ZC2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136674
PNG
((3R)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propa...)
Show SMILES CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1
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-/m1/s1
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8.80n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




Neuropsychopharmacology 8: 23-33 (1993)


Article DOI: 10.1038/npp.1993.4
BindingDB Entry DOI: 10.7270/Q2XS5SXF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136674
PNG
((3R)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propa...)
Show SMILES CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1
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-/m1/s1
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8.80n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in Sprague-dawley rat frontal cortex by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 19: 58-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.022
BindingDB Entry DOI: 10.7270/Q2N58N95
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM50136674
PNG
((3R)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propa...)
Show SMILES CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1
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-/m1/s1
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15.9n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




Neuropsychopharmacology 8: 23-33 (1993)


Article DOI: 10.1038/npp.1993.4
BindingDB Entry DOI: 10.7270/Q2XS5SXF
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50136674
PNG
((3R)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propa...)
Show SMILES CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1
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-/m1/s1
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16n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 19: 58-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.022
BindingDB Entry DOI: 10.7270/Q2N58N95
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50304388
PNG
((S)-3-(Naphthalen-1-yloxy)-3-thiophen-2-yl-propyla...)
Show SMILES NCC[C@H](Oc1cccc2ccccc12)c1cccs1
Show InChI InChI=1S/C17H17NOS/c18-11-10-16(17-9-4-12-20-17)19-15-8-3-6-13-5-1-2-7-14(13)15/h1-9,12,16H,10-11,18H2/t16-/m0/s1
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18n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 17: 6890-7 (2009)


Article DOI: 10.1016/j.bmc.2009.08.025
BindingDB Entry DOI: 10.7270/Q2X34ZC2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50136680
PNG
(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1cccs1
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
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20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nisoxatine binding to norepinephrine (NE) transporter


Bioorg Med Chem Lett 13: 4477-80 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.079
BindingDB Entry DOI: 10.7270/Q24J0DJH
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50136680
PNG
(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1cccs1
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
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20n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




Biol Psychiatry 55: 320-2 (2004)


BindingDB Entry DOI: 10.7270/Q2K64GMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50136680
PNG
(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1cccs1
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
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45n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50136674
PNG
((3R)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propa...)
Show SMILES CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1
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-/m1/s1
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61.3n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human recombinant NET expressed in HEK293 cells by scintillation counting


Bioorg Med Chem 17: 6890-7 (2009)


Article DOI: 10.1016/j.bmc.2009.08.025
BindingDB Entry DOI: 10.7270/Q2X34ZC2
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50136680
PNG
(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1cccs1
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
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230n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




Biol Psychiatry 55: 320-2 (2004)


BindingDB Entry DOI: 10.7270/Q2K64GMB
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50136680
PNG
(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1cccs1
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
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240n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Neuropharmacology 45: 935-44 (2003)


BindingDB Entry DOI: 10.7270/Q2VQ318R
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50136680
PNG
(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1cccs1
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
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435n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50136680
PNG
(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1cccs1
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
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439n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




Biol Psychiatry 55: 320-2 (2004)


BindingDB Entry DOI: 10.7270/Q2K64GMB
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50136674
PNG
((3R)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propa...)
Show SMILES CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1
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-/m1/s1
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550n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 17: 6890-7 (2009)


Article DOI: 10.1016/j.bmc.2009.08.025
BindingDB Entry DOI: 10.7270/Q2X34ZC2
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50136674
PNG
((3R)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propa...)
Show SMILES CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1
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-/m1/s1
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659n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




Neuropsychopharmacology 8: 23-33 (1993)


Article DOI: 10.1038/npp.1993.4
BindingDB Entry DOI: 10.7270/Q2XS5SXF
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50304393
PNG
((R)-3-(Naphthalen-1-yloxy)-3-thiophen-2-yl-propyla...)
Show SMILES NCC[C@@H](Oc1cccc2ccccc12)c1cccs1
Show InChI InChI=1S/C17H17NOS/c18-11-10-16(17-9-4-12-20-17)19-15-8-3-6-13-5-1-2-7-14(13)15/h1-9,12,16H,10-11,18H2/t16-/m1/s1
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953n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human recombinant NET expressed in HEK293 cells by scintillation counting


Bioorg Med Chem 17: 6890-7 (2009)


Article DOI: 10.1016/j.bmc.2009.08.025
BindingDB Entry DOI: 10.7270/Q2X34ZC2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50148370
PNG
(5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)
Show SMILES CNCC[C@H](Oc1cccc2cc(O)ccc12)c1cccs1
Show InChI InChI=1S/C18H19NO2S/c1-19-10-9-17(18-6-3-11-22-18)21-16-5-2-4-13-12-14(20)7-8-15(13)16/h2-8,11-12,17,19-20H,9-10H2,1H3/t17-/m0/s1
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1.06E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-paroxetine binding to cloned human serototnin (5-HT) transporter; Average of two experiments


Bioorg Med Chem Lett 14: 3481-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50304388
PNG
((S)-3-(Naphthalen-1-yloxy)-3-thiophen-2-yl-propyla...)
Show SMILES NCC[C@H](Oc1cccc2ccccc12)c1cccs1
Show InChI InChI=1S/C17H17NOS/c18-11-10-16(17-9-4-12-20-17)19-15-8-3-6-13-5-1-2-7-14(13)15/h1-9,12,16H,10-11,18H2/t16-/m0/s1
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2.40E+3n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human recombinant NET expressed in HEK293 cells by scintillation counting


Bioorg Med Chem 17: 6890-7 (2009)


Article DOI: 10.1016/j.bmc.2009.08.025
BindingDB Entry DOI: 10.7270/Q2X34ZC2
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50304393
PNG
((R)-3-(Naphthalen-1-yloxy)-3-thiophen-2-yl-propyla...)
Show SMILES NCC[C@@H](Oc1cccc2ccccc12)c1cccs1
Show InChI InChI=1S/C17H17NOS/c18-11-10-16(17-9-4-12-20-17)19-15-8-3-6-13-5-1-2-7-14(13)15/h1-9,12,16H,10-11,18H2/t16-/m1/s1
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3.55E+3n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 17: 6890-7 (2009)


Article DOI: 10.1016/j.bmc.2009.08.025
BindingDB Entry DOI: 10.7270/Q2X34ZC2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50148369
PNG
(1-Methoxy-5-((S)-3-methylamino-1-thiophen-2-yl-pro...)
Show SMILES CNCC[C@H](Oc1cccc2c(OC)c(O)ccc12)c1cccs1
Show InChI InChI=1S/C19H21NO3S/c1-20-11-10-17(18-7-4-12-24-18)23-16-6-3-5-14-13(16)8-9-15(21)19(14)22-2/h3-9,12,17,20-21H,10-11H2,1-2H3/t17-/m0/s1
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3.66E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-paroxetine binding to cloned human serototnin (5-HT) transporter; Average of two experiments


Bioorg Med Chem Lett 14: 3481-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50148370
PNG
(5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)
Show SMILES CNCC[C@H](Oc1cccc2cc(O)ccc12)c1cccs1
Show InChI InChI=1S/C18H19NO2S/c1-19-10-9-17(18-6-3-11-22-18)21-16-5-2-4-13-12-14(20)7-8-15(13)16/h2-8,11-12,17,19-20H,9-10H2,1H3/t17-/m0/s1
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4.72E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-nisoxatine binding to cloned human norepinephrine (NE) transporter; Average of two experiments


Bioorg Med Chem Lett 14: 3481-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50148377
PNG
(5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)
Show SMILES CNCC[C@H](Oc1cccc2c(O)cccc12)c1cccs1
Show InChI InChI=1S/C18H19NO2S/c1-19-11-10-17(18-9-4-12-22-18)21-16-8-3-5-13-14(16)6-2-7-15(13)20/h2-9,12,17,19-20H,10-11H2,1H3/t17-/m0/s1
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9.60E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-paroxetine binding to cloned human serototnin (5-HT) transporter; Average of two experiments


Bioorg Med Chem Lett 14: 3481-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50304388
PNG
((S)-3-(Naphthalen-1-yloxy)-3-thiophen-2-yl-propyla...)
Show SMILES NCC[C@H](Oc1cccc2ccccc12)c1cccs1
Show InChI InChI=1S/C17H17NOS/c18-11-10-16(17-9-4-12-20-17)19-15-8-3-6-13-5-1-2-7-14(13)15/h1-9,12,16H,10-11,18H2/t16-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 17: 6890-7 (2009)


Article DOI: 10.1016/j.bmc.2009.08.025
BindingDB Entry DOI: 10.7270/Q2X34ZC2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50148377
PNG
(5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)
Show SMILES CNCC[C@H](Oc1cccc2c(O)cccc12)c1cccs1
Show InChI InChI=1S/C18H19NO2S/c1-19-11-10-17(18-9-4-12-22-18)21-16-8-3-5-13-14(16)6-2-7-15(13)20/h2-9,12,17,19-20H,10-11H2,1H3/t17-/m0/s1
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1.84E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-nisoxatine binding to cloned human norepinephrine (NE) transporter; Average of two experiments


Bioorg Med Chem Lett 14: 3481-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50148373
PNG
(5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)
Show SMILES CNCC[C@H](Oc1cccc2c(O)c(O)ccc12)c1cccs1
Show InChI InChI=1S/C18H19NO3S/c1-19-10-9-16(17-6-3-11-23-17)22-15-5-2-4-13-12(15)7-8-14(20)18(13)21/h2-8,11,16,19-21H,9-10H2,1H3/t16-/m0/s1
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3.17E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-paroxetine binding to cloned human serotonin (5-HT) transporter


Bioorg Med Chem Lett 14: 3481-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50148379
PNG
(4-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)
Show SMILES CNCC[C@H](Oc1ccc(O)c2ccccc12)c1cccs1
Show InChI InChI=1S/C18H19NO2S/c1-19-11-10-17(18-7-4-12-22-18)21-16-9-8-15(20)13-5-2-3-6-14(13)16/h2-9,12,17,19-20H,10-11H2,1H3/t17-/m0/s1
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6.39E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-paroxetine binding to cloned human serototnin (5-HT) transporter; Average of two experiments


Bioorg Med Chem Lett 14: 3481-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50148379
PNG
(4-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)
Show SMILES CNCC[C@H](Oc1ccc(O)c2ccccc12)c1cccs1
Show InChI InChI=1S/C18H19NO2S/c1-19-11-10-17(18-7-4-12-22-18)21-16-9-8-15(20)13-5-2-3-6-14(13)16/h2-9,12,17,19-20H,10-11H2,1H3/t17-/m0/s1
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9.71E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-nisoxatine binding to cloned human norepinephrine (NE) transporter; Average of two experiments


Bioorg Med Chem Lett 14: 3481-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50148373
PNG
(5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)
Show SMILES CNCC[C@H](Oc1cccc2c(O)c(O)ccc12)c1cccs1
Show InChI InChI=1S/C18H19NO3S/c1-19-10-9-16(17-6-3-11-23-17)22-15-5-2-4-13-12(15)7-8-14(20)18(13)21/h2-8,11,16,19-21H,9-10H2,1H3/t16-/m0/s1
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1.20E+5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-mazindol binding to cloned human dopamine (DA) transporter


Bioorg Med Chem Lett 14: 3481-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50148379
PNG
(4-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)
Show SMILES CNCC[C@H](Oc1ccc(O)c2ccccc12)c1cccs1
Show InChI InChI=1S/C18H19NO2S/c1-19-11-10-17(18-7-4-12-22-18)21-16-9-8-15(20)13-5-2-3-6-14(13)16/h2-9,12,17,19-20H,10-11H2,1H3/t17-/m0/s1
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1.30E+5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-mazindol binding to cloned human dopamine (DA) transporter; Average of two experiments


Bioorg Med Chem Lett 14: 3481-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50148370
PNG
(5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)
Show SMILES CNCC[C@H](Oc1cccc2cc(O)ccc12)c1cccs1
Show InChI InChI=1S/C18H19NO2S/c1-19-10-9-17(18-6-3-11-22-18)21-16-5-2-4-13-12-14(20)7-8-15(13)16/h2-8,11-12,17,19-20H,9-10H2,1H3/t17-/m0/s1
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1.64E+5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-mazindol binding to cloned human dopamine (DA) transporter; Average of two experiments


Bioorg Med Chem Lett 14: 3481-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50148369
PNG
(1-Methoxy-5-((S)-3-methylamino-1-thiophen-2-yl-pro...)
Show SMILES CNCC[C@H](Oc1cccc2c(OC)c(O)ccc12)c1cccs1
Show InChI InChI=1S/C19H21NO3S/c1-20-11-10-17(18-7-4-12-24-18)23-16-6-3-5-14-13(16)8-9-15(21)19(14)22-2/h3-9,12,17,20-21H,10-11H2,1-2H3/t17-/m0/s1
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2.36E+5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-nisoxatine binding to cloned human norepinephrine (NE) transporter; Average of two experiments


Bioorg Med Chem Lett 14: 3481-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50148377
PNG
(5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)
Show SMILES CNCC[C@H](Oc1cccc2c(O)cccc12)c1cccs1
Show InChI InChI=1S/C18H19NO2S/c1-19-11-10-17(18-9-4-12-22-18)21-16-8-3-5-13-14(16)6-2-7-15(13)20/h2-9,12,17,19-20H,10-11H2,1H3/t17-/m0/s1
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2.41E+5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-mazindol binding to cloned human dopamine (DA) transporter; Average of two experiments


Bioorg Med Chem Lett 14: 3481-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50148378
PNG
(2-Methoxy-5-((S)-3-methylamino-1-thiophen-2-yl-pro...)
Show SMILES CNCC[C@H](Oc1cccc2c(O)c(OC)ccc12)c1cccs1
Show InChI InChI=1S/C19H21NO3S/c1-20-11-10-16(18-7-4-12-24-18)23-15-6-3-5-14-13(15)8-9-17(22-2)19(14)21/h3-9,12,16,20-21H,10-11H2,1-2H3/t16-/m0/s1
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2.66E+5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-paroxetine binding to cloned human serotonin (5-HT) transporter


Bioorg Med Chem Lett 14: 3481-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50148369
PNG
(1-Methoxy-5-((S)-3-methylamino-1-thiophen-2-yl-pro...)
Show SMILES CNCC[C@H](Oc1cccc2c(OC)c(O)ccc12)c1cccs1
Show InChI InChI=1S/C19H21NO3S/c1-20-11-10-17(18-7-4-12-24-18)23-16-6-3-5-14-13(16)8-9-15(21)19(14)22-2/h3-9,12,17,20-21H,10-11H2,1-2H3/t17-/m0/s1
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PubMed
3.53E+5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-mazindol binding to cloned human dopamine (DA) transporter; Average of two experiments


Bioorg Med Chem Lett 14: 3481-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50148373
PNG
(5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)
Show SMILES CNCC[C@H](Oc1cccc2c(O)c(O)ccc12)c1cccs1
Show InChI InChI=1S/C18H19NO3S/c1-19-10-9-16(17-6-3-11-23-17)22-15-5-2-4-13-12(15)7-8-14(20)18(13)21/h2-8,11,16,19-21H,9-10H2,1H3/t16-/m0/s1
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PubMed
5.54E+5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-nisoxatine binding to cloned human norepinephrine (NE) transporter


Bioorg Med Chem Lett 14: 3481-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50148373
PNG
(5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)
Show SMILES CNCC[C@H](Oc1cccc2c(O)c(O)ccc12)c1cccs1
Show InChI InChI=1S/C18H19NO3S/c1-19-10-9-16(17-6-3-11-23-17)22-15-5-2-4-13-12(15)7-8-14(20)18(13)21/h2-8,11,16,19-21H,9-10H2,1H3/t16-/m0/s1
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PubMed
6.95E+5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-paroxetine binding to cloned human serotonin (5-HT) transporter


Bioorg Med Chem Lett 14: 3481-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50148378
PNG
(2-Methoxy-5-((S)-3-methylamino-1-thiophen-2-yl-pro...)
Show SMILES CNCC[C@H](Oc1cccc2c(O)c(OC)ccc12)c1cccs1
Show InChI InChI=1S/C19H21NO3S/c1-20-11-10-16(18-7-4-12-24-18)23-15-6-3-5-14-13(15)8-9-17(22-2)19(14)21/h3-9,12,16,20-21H,10-11H2,1-2H3/t16-/m0/s1
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9.20E+5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-nisoxatine binding to cloned human norepinephrine (NE) transporter


Bioorg Med Chem Lett 14: 3481-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50148378
PNG
(2-Methoxy-5-((S)-3-methylamino-1-thiophen-2-yl-pro...)
Show SMILES CNCC[C@H](Oc1cccc2c(O)c(OC)ccc12)c1cccs1
Show InChI InChI=1S/C19H21NO3S/c1-20-11-10-16(18-7-4-12-24-18)23-15-6-3-5-14-13(15)8-9-17(22-2)19(14)21/h3-9,12,16,20-21H,10-11H2,1-2H3/t16-/m0/s1
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2.81E+6n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-mazindol binding to cloned human dopamine (DA) transporter


Bioorg Med Chem Lett 14: 3481-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50148373
PNG
(5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)
Show SMILES CNCC[C@H](Oc1cccc2c(O)c(O)ccc12)c1cccs1
Show InChI InChI=1S/C18H19NO3S/c1-19-10-9-16(17-6-3-11-23-17)22-15-5-2-4-13-12(15)7-8-14(20)18(13)21/h2-8,11,16,19-21H,9-10H2,1H3/t16-/m0/s1
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PubMed
7.28E+6n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-mazindol binding to cloned human dopamine (DA) transporter


Bioorg Med Chem Lett 14: 3481-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50148373
PNG
(5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)
Show SMILES CNCC[C@H](Oc1cccc2c(O)c(O)ccc12)c1cccs1
Show InChI InChI=1S/C18H19NO3S/c1-19-10-9-16(17-6-3-11-23-17)22-15-5-2-4-13-12(15)7-8-14(20)18(13)21/h2-8,11,16,19-21H,9-10H2,1H3/t16-/m0/s1
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>1.00E+7n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-nisoxatine binding to cloned human norepinephrine (NE) transporter


Bioorg Med Chem Lett 14: 3481-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50304388
PNG
((S)-3-(Naphthalen-1-yloxy)-3-thiophen-2-yl-propyla...)
Show SMILES NCC[C@H](Oc1cccc2ccccc12)c1cccs1
Show InChI InChI=1S/C17H17NOS/c18-11-10-16(17-9-4-12-20-17)19-15-8-3-6-13-5-1-2-7-14(13)15/h1-9,12,16H,10-11,18H2/t16-/m0/s1
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n/an/a 25.6n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 17: 6890-7 (2009)


Article DOI: 10.1016/j.bmc.2009.08.025
BindingDB Entry DOI: 10.7270/Q2X34ZC2
More data for this
Ligand-Target Pair
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