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33 similar compounds to monomer 50453094

Compile data set for download or QSAR
Wt: 273.3
BDBM50039990
Wt: 259.3
BDBM22396
Purchase
Wt: 245.3
BDBM50005553
Wt: 274.3
BDBM50005572
Wt: 304.3
BDBM50005544
Wt: 273.3
BDBM50005539
Wt: 426.2
BDBM50006225
Wt: 424.9
BDBM50006231
Wt: 400.2
BDBM50006239
Wt: 273.3
BDBM50006781
Wt: 304.3
BDBM50453397
Wt: 259.3
BDBM50056792
Wt: 304.3
BDBM50015692
Wt: 274.3
BDBM50015695
Wt: 274.3
BDBM50453097
Displayed 1 to 15 (of 33 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 83 hits for monomerid = 50039990,22396,50005553,50005572,50005544,50005539,50006225,50006231,50006239,50006781,50453397,50056792,50015692,50015695,50453097   
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
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50005539
PNG
((3S,8R)-8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14-,15?,16?/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1229-36 (1999)


BindingDB Entry DOI: 10.7270/Q2TX3CWQ
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50005572
PNG
((3S,8R)-3-(4-Amino-phenyl)-8-methyl-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(N)cc1)N2C
Show InChI InChI=1S/C16H22N2O2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9,17H2,1-2H3/t12-,13-,14?,15?/m1/s1
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2.15n/an/an/an/an/an/an/an/a



NIH

Curated by PDSP Ki Database




Synapse 39: 32-41 (2001)


Article DOI: 10.1002/1098-2396(20010101)39:1
BindingDB Entry DOI: 10.7270/Q2NV9GT3
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50006781
PNG
((2S,3S)-methyl 8-methyl-3-p-tolyl-8-aza-bicyclo[3....)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14-,15?,16+/m1/s1
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5.80n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity of compound on dopamine transporters of rat striated membranes using [3H]- mazindol.


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50006781
PNG
((2S,3S)-methyl 8-methyl-3-p-tolyl-8-aza-bicyclo[3....)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14-,15?,16+/m1/s1
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6.90n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for [3H]DA (Dopamine transporter) uptake by striated synaptosomes


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50005572
PNG
((3S,8R)-3-(4-Amino-phenyl)-8-methyl-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(N)cc1)N2C
Show InChI InChI=1S/C16H22N2O2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9,17H2,1-2H3/t12-,13-,14?,15?/m1/s1
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9.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1229-36 (1999)


BindingDB Entry DOI: 10.7270/Q2TX3CWQ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50006781
PNG
((2S,3S)-methyl 8-methyl-3-p-tolyl-8-aza-bicyclo[3....)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14-,15?,16+/m1/s1
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12n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity on dopamine and serotonin transporters in striated membranes using [3H]- paroxetine


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50039990
PNG
((3S,8R)-8-Methyl-3-(4-nitro-phenyl)-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14+,15?,16?/m1/s1
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22n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding at serotonin 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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50006781
PNG
((2S,3S)-methyl 8-methyl-3-p-tolyl-8-aza-bicyclo[3....)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14-,15?,16+/m1/s1
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23n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for Serotonin transporter was determined by [3H]5-HT (serotonin) uptake by striated synaptosomes


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50006781
PNG
((2S,3S)-methyl 8-methyl-3-p-tolyl-8-aza-bicyclo[3....)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14-,15?,16+/m1/s1
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23n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5HTT


J Med Chem 47: 6401-9 (2004)


Article DOI: 10.1021/jm0401311
BindingDB Entry DOI: 10.7270/Q2W37X4B
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22396
PNG
((1R,2S,3S,5S)-3-(4-chlorophenyl)-2-[5-(4-fluorophe...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccccc1)N2C
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)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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23n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1229-36 (1999)


BindingDB Entry DOI: 10.7270/Q2TX3CWQ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50006781
PNG
((2S,3S)-methyl 8-methyl-3-p-tolyl-8-aza-bicyclo[3....)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14-,15?,16+/m1/s1
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23n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5HTT


J Med Chem 48: 7437-44 (2005)


Article DOI: 10.1021/jm0582423
BindingDB Entry DOI: 10.7270/Q2B56KJX
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50006781
PNG
((2S,3S)-methyl 8-methyl-3-p-tolyl-8-aza-bicyclo[3....)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14-,15?,16+/m1/s1
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36n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET


J Med Chem 48: 7437-44 (2005)


Article DOI: 10.1021/jm0582423
BindingDB Entry DOI: 10.7270/Q2B56KJX
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50006781
PNG
((2S,3S)-methyl 8-methyl-3-p-tolyl-8-aza-bicyclo[3....)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14-,15?,16+/m1/s1
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36n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET


J Med Chem 47: 6401-9 (2004)


Article DOI: 10.1021/jm0401311
BindingDB Entry DOI: 10.7270/Q2W37X4B
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50039990
PNG
((3S,8R)-8-Methyl-3-(4-nitro-phenyl)-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14+,15?,16?/m1/s1
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36n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity for norepinephrine transporter determined by [3H]nisoxetine displacement.


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
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22396
PNG
((1R,2S,3S,5S)-3-(4-chlorophenyl)-2-[5-(4-fluorophe...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccccc1)N2C
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)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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54n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for [3H]DA (Dopamine transporter) uptake by striated synaptosomes


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM50005539
PNG
((3S,8R)-8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14-,15?,16?/m1/s1
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60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1229-36 (1999)


BindingDB Entry DOI: 10.7270/Q2TX3CWQ
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22396
PNG
((1R,2S,3S,5S)-3-(4-chlorophenyl)-2-[5-(4-fluorophe...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccccc1)N2C
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)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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89n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity of compound on dopamine transporters of rat striated membranes using [3H]- mazindol.


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM22396
PNG
((1R,2S,3S,5S)-3-(4-chlorophenyl)-2-[5-(4-fluorophe...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccccc1)N2C
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)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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135n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity on dopamine and serotonin transporters in striated membranes using [3H]- paroxetine


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM50005572
PNG
((3S,8R)-3-(4-Amino-phenyl)-8-methyl-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(N)cc1)N2C
Show InChI InChI=1S/C16H22N2O2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9,17H2,1-2H3/t12-,13-,14?,15?/m1/s1
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151n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1229-36 (1999)


BindingDB Entry DOI: 10.7270/Q2TX3CWQ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM22396
PNG
((1R,2S,3S,5S)-3-(4-chlorophenyl)-2-[5-(4-fluorophe...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccccc1)N2C
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)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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186n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for Serotonin transporter was determined by [3H]5-HT (serotonin) uptake by striated synaptosomes


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50005539
PNG
((3S,8R)-8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14-,15?,16?/m1/s1
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240n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1229-36 (1999)


BindingDB Entry DOI: 10.7270/Q2TX3CWQ
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50056792
PNG
((R)-8-Methyl-3-phenyl-8-aza-bicyclo[3.2.1]octane-2...)
Show SMILES COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccccc1)N2C
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13-,14+,15+/m1/s1
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314n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from dopamine transporter (DAT) in Rat Caudate Putamen


J Med Chem 40: 858-63 (1997)


Article DOI: 10.1021/jm960739c
BindingDB Entry DOI: 10.7270/Q2X067QK
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50056792
PNG
((R)-8-Methyl-3-phenyl-8-aza-bicyclo[3.2.1]octane-2...)
Show SMILES COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccccc1)N2C
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13-,14+,15+/m1/s1
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314n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from dopamine transporter (DAT) in Rat Caudate Putamen


J Med Chem 40: 858-63 (1997)


Article DOI: 10.1021/jm960739c
BindingDB Entry DOI: 10.7270/Q2X067QK
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM22396
PNG
((1R,2S,3S,5S)-3-(4-chlorophenyl)-2-[5-(4-fluorophe...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccccc1)N2C
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)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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920n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1229-36 (1999)


BindingDB Entry DOI: 10.7270/Q2TX3CWQ
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM22396
PNG
((1R,2S,3S,5S)-3-(4-chlorophenyl)-2-[5-(4-fluorophe...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccccc1)N2C
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)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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920n/an/an/an/an/an/an/an/a



Research Triangle Institute



Assay Description
Brains from male Sprague-Dawley rats were removed, dissected, and rapidly frozen. Ligand binding experiments were conducted in assay tubes containing...


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


(Rattus norvegicus (rat))
BDBM22396
PNG
((1R,2S,3S,5S)-3-(4-chlorophenyl)-2-[5-(4-fluorophe...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccccc1)N2C
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)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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1.90E+3 -7.80n/an/an/an/an/a7.425



Research Triangle Institute



Assay Description
Brains from male Sprague-Dawley rats were removed, dissected, and rapidly frozen. Ligand binding experiments were conducted in assay tubes containing...


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 noradrenaline transporter


(Homo sapiens (Human))
BDBM50006781
PNG
((2S,3S)-methyl 8-methyl-3-p-tolyl-8-aza-bicyclo[3....)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14-,15?,16+/m1/s1
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1.93E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET


J Med Chem 48: 7437-44 (2005)


Article DOI: 10.1021/jm0582423
BindingDB Entry DOI: 10.7270/Q2B56KJX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM22396
PNG
((1R,2S,3S,5S)-3-(4-chlorophenyl)-2-[5-(4-fluorophe...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccccc1)N2C
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)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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1.96E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1229-36 (1999)


BindingDB Entry DOI: 10.7270/Q2TX3CWQ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50005572
PNG
((3S,8R)-3-(4-Amino-phenyl)-8-methyl-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(N)cc1)N2C
Show InChI InChI=1S/C16H22N2O2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9,17H2,1-2H3/t12-,13-,14?,15?/m1/s1
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5.11E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1229-36 (1999)


BindingDB Entry DOI: 10.7270/Q2TX3CWQ
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22396
PNG
((1R,2S,3S,5S)-3-(4-chlorophenyl)-2-[5-(4-fluorophe...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccccc1)N2C
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)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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n/an/a 23n/an/an/an/a7.44



Research Triangle Institute



Assay Description
Brains from male Sprague-Dawley rats were removed, dissected, and rapidly frozen. Ligand binding experiments were conducted in assay tubes containing...


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
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50453097
PNG
(CHEMBL607198)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(N)cc1)N2C
Show InChI InChI=1S/C16H22N2O2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9,17H2,1-2H3/t12-,13-,14?,15+/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity against cocaine binding site of dopamine transporter in rat striatum using [3H]2b as radioligand.


J Med Chem 34: 2719-25 (1991)


Article DOI: 10.1021/jm00113a008
BindingDB Entry DOI: 10.7270/Q2ZS2X4Z
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50039990
PNG
((3S,8R)-8-Methyl-3-(4-nitro-phenyl)-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14+,15?,16?/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity against cocaine binding site of dopamine transporter in rat striatum using [3H]2b as radioligand.


J Med Chem 34: 2719-25 (1991)


Article DOI: 10.1021/jm00113a008
BindingDB Entry DOI: 10.7270/Q2ZS2X4Z
More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)
BDBM50015692
PNG
(8-Methyl-3-(4-nitro-phenyl)-8-aza-bicyclo[3.2.1]oc...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)[N+]([O-])=O)N2C
Show InChI InChI=1S/C16H20N2O4/c1-17-12-7-8-14(17)15(16(19)22-2)13(9-12)10-3-5-11(6-4-10)18(20)21/h3-6,12-15H,7-9H2,1-2H3
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n/an/a 213n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Competitive inhibition against [3H]cocaine binding to cocaine receptor in bovine striatal tissue


J Med Chem 33: 2024-7 (1990)


Article DOI: 10.1021/jm00169a036
BindingDB Entry DOI: 10.7270/Q2BG2PMN
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50453397
PNG
(CHEMBL2373438)
Show SMILES COC(=O)C1C2CC[C@@H](C[C@@H]1c1ccc(cc1)[N+]([O-])=O)N2C
Show InChI InChI=1S/C16H20N2O4/c1-17-12-7-8-14(17)15(16(19)22-2)13(9-12)10-3-5-11(6-4-10)18(20)21/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14?,15?/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


Article DOI: 10.1021/jm00044a007
BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50453097
PNG
(CHEMBL607198)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(N)cc1)N2C
Show InChI InChI=1S/C16H22N2O2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9,17H2,1-2H3/t12-,13-,14?,15+/m1/s1
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n/an/a 9.80n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


Article DOI: 10.1021/jm00044a007
BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50006781
PNG
((2S,3S)-methyl 8-methyl-3-p-tolyl-8-aza-bicyclo[3....)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14-,15?,16+/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [3H]paroxetine in rat frontal cortex


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50006781
PNG
((2S,3S)-methyl 8-methyl-3-p-tolyl-8-aza-bicyclo[3....)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14-,15?,16+/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Norepinephrine transporter using [3H]nisoxetine in midbrain of rat


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50006781
PNG
((2S,3S)-methyl 8-methyl-3-p-tolyl-8-aza-bicyclo[3....)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14-,15?,16+/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM22396
PNG
((1R,2S,3S,5S)-3-(4-chlorophenyl)-2-[5-(4-fluorophe...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccccc1)N2C
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)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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n/an/a 2.71E+3n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibitory activity on dopamine and serotonin transporters in striated membranes using [3H]- paroxetine


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22396
PNG
((1R,2S,3S,5S)-3-(4-chlorophenyl)-2-[5-(4-fluorophe...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccccc1)N2C
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)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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n/an/a 163n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibitory activity on dopamine transporters of rat striated membranes using [3H]- mazindol.


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50006781
PNG
((2S,3S)-methyl 8-methyl-3-p-tolyl-8-aza-bicyclo[3....)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14-,15?,16+/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Serotonin transporter was determined for [3H]5-HT (serotonin) uptake by striated synaptosomes


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50006781
PNG
((2S,3S)-methyl 8-methyl-3-p-tolyl-8-aza-bicyclo[3....)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14-,15?,16+/m1/s1
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n/an/a 241n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibitory activity on dopamine and serotonin transporters in striated membranes using [3H]- paroxetine


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50006781
PNG
((2S,3S)-methyl 8-methyl-3-p-tolyl-8-aza-bicyclo[3....)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14-,15?,16+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibitory activity on dopamine transporter of rat striated membranes using [3H]- mazindol.


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM22396
PNG
((1R,2S,3S,5S)-3-(4-chlorophenyl)-2-[5-(4-fluorophe...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccccc1)N2C
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)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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n/an/a 204n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibitory activity against Serotonin transporter was determined for [3H]5-HT (serotonin) uptake by striated synaptosomes


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50006781
PNG
((2S,3S)-methyl 8-methyl-3-p-tolyl-8-aza-bicyclo[3....)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14-,15?,16+/m1/s1
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n/an/a 7.5n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibitory activity determined for [3H]DA (Dopamine transporter) uptake by striated synaptosomes


J Med Chem 41: 4973-82 (1999)


Article DOI: 10.1021/jm9802564
BindingDB Entry DOI: 10.7270/Q29S1RQ7
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50005544
PNG
(8-Methyl-3-(4-nitro-phenyl)-8-aza-bicyclo[3.2.1]oc...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(cc1)[N+]([O-])=O)N2C
Show InChI InChI=1S/C16H20N2O4/c1-17-12-7-8-14(17)15(16(19)22-2)13(9-12)10-3-5-11(6-4-10)18(20)21/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15?/m1/s1
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n/an/a 213n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]cocaine binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


Article DOI: 10.1021/jm00084a001
BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50039990
PNG
((3S,8R)-8-Methyl-3-(4-nitro-phenyl)-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14+,15?,16?/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter.


J Med Chem 35: 969-81 (1992)


Article DOI: 10.1021/jm00084a001
BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50453097
PNG
(CHEMBL607198)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(N)cc1)N2C
Show InChI InChI=1S/C16H22N2O2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9,17H2,1-2H3/t12-,13-,14?,15+/m1/s1
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n/an/a 192n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]cocaine binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


Article DOI: 10.1021/jm00084a001
BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50005553
PNG
(3-Phenyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic a...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccccc1)N2
Show InChI InChI=1S/C15H19NO2/c1-18-15(17)14-12(10-5-3-2-4-6-10)9-11-7-8-13(14)16-11/h2-6,11-14,16H,7-9H2,1H3/t11-,12-,13?,14?/m1/s1
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n/an/a 360n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]mazindol binding to the dopamine transporter.


J Med Chem 35: 969-81 (1992)


Article DOI: 10.1021/jm00084a001
BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50039990
PNG
((3S,8R)-8-Methyl-3-(4-nitro-phenyl)-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14+,15?,16?/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding at serotonin 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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