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PubMed code 16279803

Compile data set for download or QSAR
Found 59 hits of Enzyme Inhibition Constant Data   
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 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 serotonin transporter


(Homo sapiens (human))
BDBM50177110
PNG
(2-beta-(4-fluorophenyl)-3-beta-(4-methylphenyl)tro...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN/c1-14-3-5-15(6-4-14)19-13-18-11-12-20(23(18)2)21(19)16-7-9-17(22)10-8-16/h3-10,18-21H,11-13H2,1-2H3/t18?,19-,20?,21+/m1/s1
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25n/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 serotonin transporter


(Homo sapiens (human))
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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45n/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))
BDBM50177110
PNG
(2-beta-(4-fluorophenyl)-3-beta-(4-methylphenyl)tro...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN/c1-14-3-5-15(6-4-14)19-13-18-11-12-20(23(18)2)21(19)16-7-9-17(22)10-8-16/h3-10,18-21H,11-13H2,1-2H3/t18?,19-,20?,21+/m1/s1
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61n/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


(Homo sapiens (human))
BDBM50177109
PNG
((R)-3-alpha-(methylphenyl)-2-alpha-phenyltropane |...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1ccccc1
Show InChI InChI=1S/C21H25N/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(22(18)2)21(19)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18?,19-,20?,21+/m1/s1
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100n/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 serotonin transporter


(Homo sapiens (human))
BDBM50366564
PNG
(CHEMBL1790051 | CHEMBL83729 | WIN-35065-2)
Show SMILES COC(=O)[C@@H]1C2CC[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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178n/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))
BDBM50177107
PNG
(3-alpha-(4-methoxyphenyl)-2-alpha-(4-methylphenyl)...)
Show SMILES COc1ccc(cc1)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C22H27NO/c1-15-4-6-16(7-5-15)20-14-18-10-13-21(23(18)2)22(20)17-8-11-19(24-3)12-9-17/h4-9,11-12,18,20-22H,10,13-14H2,1-3H3/t18?,20-,21?,22+/m1/s1
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191n/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))
BDBM50177109
PNG
((R)-3-alpha-(methylphenyl)-2-alpha-phenyltropane |...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1ccccc1
Show InChI InChI=1S/C21H25N/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(22(18)2)21(19)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18?,19-,20?,21+/m1/s1
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280n/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


(Homo sapiens (human))
BDBM50177107
PNG
(3-alpha-(4-methoxyphenyl)-2-alpha-(4-methylphenyl)...)
Show SMILES COc1ccc(cc1)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C22H27NO/c1-15-4-6-16(7-5-15)20-14-18-10-13-21(23(18)2)22(20)17-8-11-19(24-3)12-9-17/h4-9,11-12,18,20-22H,10,13-14H2,1-3H3/t18?,20-,21?,22+/m1/s1
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410n/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))
BDBM50177106
PNG
(2-alpha-3-alpha-diphenyltropane | 2-beta-3-beta-di...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H23N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17?,18-,19?,20+/m1/s1
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550n/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))
BDBM50366564
PNG
(CHEMBL1790051 | CHEMBL83729 | WIN-35065-2)
Show SMILES COC(=O)[C@@H]1C2CC[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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550n/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


(Homo sapiens (human))
BDBM50177108
PNG
(2-alpha,3-alpha-di(4-methylphenyl)tropane | 2-beta...)
Show SMILES CN1C2CCC1[C@@H]([C@@H](C2)c1ccc(C)cc1)c1ccc(C)cc1
Show InChI InChI=1S/C22H27N/c1-15-4-8-17(9-5-15)20-14-19-12-13-21(23(19)3)22(20)18-10-6-16(2)7-11-18/h4-11,19-22H,12-14H2,1-3H3/t19?,20-,21?,22+/m0/s1
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910n/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 serotonin transporter


(Homo sapiens (human))
BDBM50177104
PNG
(3-beta-(4'-methylphenyl)-2-beta-(3,4-dimethoxyphen...)
Show SMILES COc1ccc(cc1OC)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C23H29NO2/c1-15-5-7-16(8-6-15)19-14-18-10-11-20(24(18)2)23(19)17-9-12-21(25-3)22(13-17)26-4/h5-9,12-13,18-20,23H,10-11,14H2,1-4H3/t18?,19-,20?,23+/m1/s1
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1.25E+3n/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 serotonin transporter


(Homo sapiens (human))
BDBM50177111
PNG
(3-alpha-(4-methylphenyl)-2-beta-(3,4-dimethoxyphen...)
Show SMILES COc1ccc(cc1OC)[C@@H]1C2CCC(C[C@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C23H29NO2/c1-15-5-7-16(8-6-15)19-14-18-10-11-20(24(18)2)23(19)17-9-12-21(25-3)22(13-17)26-4/h5-9,12-13,18-20,23H,10-11,14H2,1-4H3/t18?,19-,20?,23-/m0/s1
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1.47E+3n/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 serotonin transporter


(Homo sapiens (human))
BDBM50177106
PNG
(2-alpha-3-alpha-diphenyltropane | 2-beta-3-beta-di...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H23N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17?,18-,19?,20+/m1/s1
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1.90E+3n/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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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 noradrenaline transporter


(Homo sapiens (human))
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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1.99E+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 noradrenaline transporter


(Homo sapiens (human))
BDBM50177105
PNG
(3-alpha-phenyl-2-alpha-(4-methylphenyl)tropane | 3...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C21H25N/c1-15-8-10-17(11-9-15)21-19(16-6-4-3-5-7-16)14-18-12-13-20(21)22(18)2/h3-11,18-21H,12-14H2,1-2H3/t18?,19-,20?,21+/m1/s1
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3.70E+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


(Homo sapiens (human))
BDBM50177105
PNG
(3-alpha-phenyl-2-alpha-(4-methylphenyl)tropane | 3...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C21H25N/c1-15-8-10-17(11-9-15)21-19(16-6-4-3-5-7-16)14-18-12-13-20(21)22(18)2/h3-11,18-21H,12-14H2,1-2H3/t18?,19-,20?,21+/m1/s1
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4.10E+3n/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))
BDBM50177104
PNG
(3-beta-(4'-methylphenyl)-2-beta-(3,4-dimethoxyphen...)
Show SMILES COc1ccc(cc1OC)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C23H29NO2/c1-15-5-7-16(8-6-15)19-14-18-10-11-20(24(18)2)23(19)17-9-12-21(25-3)22(13-17)26-4/h5-9,12-13,18-20,23H,10-11,14H2,1-4H3/t18?,19-,20?,23+/m1/s1
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6.00E+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 noradrenaline transporter


(Homo sapiens (human))
BDBM50177108
PNG
(2-alpha,3-alpha-di(4-methylphenyl)tropane | 2-beta...)
Show SMILES CN1C2CCC1[C@@H]([C@@H](C2)c1ccc(C)cc1)c1ccc(C)cc1
Show InChI InChI=1S/C22H27N/c1-15-4-8-17(9-5-15)20-14-19-12-13-21(23(19)3)22(20)18-10-6-16(2)7-11-18/h4-11,19-22H,12-14H2,1-3H3/t19?,20-,21?,22+/m0/s1
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7.80E+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 noradrenaline transporter


(Homo sapiens (human))
BDBM50177111
PNG
(3-alpha-(4-methylphenyl)-2-beta-(3,4-dimethoxyphen...)
Show SMILES COc1ccc(cc1OC)[C@@H]1C2CCC(C[C@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C23H29NO2/c1-15-5-7-16(8-6-15)19-14-18-10-11-20(24(18)2)23(19)17-9-12-21(25-3)22(13-17)26-4/h5-9,12-13,18-20,23H,10-11,14H2,1-4H3/t18?,19-,20?,23-/m0/s1
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4.60E+4n/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 dopamine transporter


(Homo sapiens (human))
BDBM50177110
PNG
(2-beta-(4-fluorophenyl)-3-beta-(4-methylphenyl)tro...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN/c1-14-3-5-15(6-4-14)19-13-18-11-12-20(23(18)2)21(19)16-7-9-17(22)10-8-16/h3-10,18-21H,11-13H2,1-2H3/t18?,19-,20?,21+/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


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


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 dopamine transporter


(Homo sapiens (human))
BDBM50177107
PNG
(3-alpha-(4-methoxyphenyl)-2-alpha-(4-methylphenyl)...)
Show SMILES COc1ccc(cc1)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C22H27NO/c1-15-4-6-16(7-5-15)20-14-18-10-13-21(23(18)2)22(20)17-8-11-19(24-3)12-9-17/h4-9,11-12,18,20-22H,10,13-14H2,1-3H3/t18?,20-,21?,22+/m1/s1
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n/an/a 1.23n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


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


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 dopamine 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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n/an/a 1.70n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


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


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 dopamine transporter


(Homo sapiens (human))
BDBM50177109
PNG
((R)-3-alpha-(methylphenyl)-2-alpha-phenyltropane |...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1ccccc1
Show InChI InChI=1S/C21H25N/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(22(18)2)21(19)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18?,19-,20?,21+/m1/s1
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n/an/a 1.96n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


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


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 dopamine transporter


(Homo sapiens (human))
BDBM50177106
PNG
(2-alpha-3-alpha-diphenyltropane | 2-beta-3-beta-di...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H23N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17?,18-,19?,20+/m1/s1
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n/an/a 12.6n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


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


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 dopamine transporter


(Homo sapiens (human))
BDBM50177105
PNG
(3-alpha-phenyl-2-alpha-(4-methylphenyl)tropane | 3...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C21H25N/c1-15-8-10-17(11-9-15)21-19(16-6-4-3-5-7-16)14-18-12-13-20(21)22(18)2/h3-11,18-21H,12-14H2,1-2H3/t18?,19-,20?,21+/m1/s1
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n/an/a 22.4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


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


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 dopamine transporter


(Homo sapiens (human))
BDBM50366564
PNG
(CHEMBL1790051 | CHEMBL83729 | WIN-35065-2)
Show SMILES COC(=O)[C@@H]1C2CC[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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n/an/a 23n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


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


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 dopamine transporter


(Homo sapiens (human))
BDBM50177104
PNG
(3-beta-(4'-methylphenyl)-2-beta-(3,4-dimethoxyphen...)
Show SMILES COc1ccc(cc1OC)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C23H29NO2/c1-15-5-7-16(8-6-15)19-14-18-10-11-20(24(18)2)23(19)17-9-12-21(25-3)22(13-17)26-4/h5-9,12-13,18-20,23H,10-11,14H2,1-4H3/t18?,19-,20?,23+/m1/s1
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n/an/a 23.3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


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


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 dopamine 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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n/an/a 23.4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


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


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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n/an/a 60n/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 dopamine transporter


(Homo sapiens (human))
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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n/an/a 89.1n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50177110
PNG
(2-beta-(4-fluorophenyl)-3-beta-(4-methylphenyl)tro...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN/c1-14-3-5-15(6-4-14)19-13-18-11-12-20(23(18)2)21(19)16-7-9-17(22)10-8-16/h3-10,18-21H,11-13H2,1-2H3/t18?,19-,20?,21+/m1/s1
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n/an/a 100n/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))
BDBM50177110
PNG
(2-beta-(4-fluorophenyl)-3-beta-(4-methylphenyl)tro...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN/c1-14-3-5-15(6-4-14)19-13-18-11-12-20(23(18)2)21(19)16-7-9-17(22)10-8-16/h3-10,18-21H,11-13H2,1-2H3/t18?,19-,20?,21+/m1/s1
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n/an/a 132n/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


(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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n/an/a 240n/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))
BDBM50177107
PNG
(3-alpha-(4-methoxyphenyl)-2-alpha-(4-methylphenyl)...)
Show SMILES COc1ccc(cc1)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C22H27NO/c1-15-4-6-16(7-5-15)20-14-18-10-13-21(23(18)2)22(20)17-8-11-19(24-3)12-9-17/h4-9,11-12,18,20-22H,10,13-14H2,1-3H3/t18?,20-,21?,22+/m1/s1
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n/an/a 282n/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 dopamine transporter


(Homo sapiens (human))
BDBM50177108
PNG
(2-alpha,3-alpha-di(4-methylphenyl)tropane | 2-beta...)
Show SMILES CN1C2CCC1[C@@H]([C@@H](C2)c1ccc(C)cc1)c1ccc(C)cc1
Show InChI InChI=1S/C22H27N/c1-15-4-8-17(9-5-15)20-14-19-12-13-21(23(19)3)22(20)18-10-6-16(2)7-11-18/h4-11,19-22H,12-14H2,1-3H3/t19?,20-,21?,22+/m0/s1
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n/an/a 340n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


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


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))
BDBM50177109
PNG
((R)-3-alpha-(methylphenyl)-2-alpha-phenyltropane |...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1ccccc1
Show InChI InChI=1S/C21H25N/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(22(18)2)21(19)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18?,19-,20?,21+/m1/s1
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n/an/a 480n/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))
BDBM50177106
PNG
(2-alpha-3-alpha-diphenyltropane | 2-beta-3-beta-di...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H23N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17?,18-,19?,20+/m1/s1
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n/an/a 920n/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))
BDBM50366564
PNG
(CHEMBL1790051 | CHEMBL83729 | WIN-35065-2)
Show SMILES COC(=O)[C@@H]1C2CC[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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n/an/a 920n/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 dopamine transporter


(Homo sapiens (human))
BDBM50177111
PNG
(3-alpha-(4-methylphenyl)-2-beta-(3,4-dimethoxyphen...)
Show SMILES COc1ccc(cc1OC)[C@@H]1C2CCC(C[C@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C23H29NO2/c1-15-5-7-16(8-6-15)19-14-18-10-11-20(24(18)2)23(19)17-9-12-21(25-3)22(13-17)26-4/h5-9,12-13,18-20,23H,10-11,14H2,1-4H3/t18?,19-,20?,23-/m0/s1
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n/an/a 980n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


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


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


(Homo sapiens (human))
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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n/an/a 1.05E+3n/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 serotonin transporter


(Homo sapiens (human))
BDBM50177109
PNG
((R)-3-alpha-(methylphenyl)-2-alpha-phenyltropane |...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1ccccc1
Show InChI InChI=1S/C21H25N/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(22(18)2)21(19)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18?,19-,20?,21+/m1/s1
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n/an/a 1.10E+3n/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 serotonin transporter


(Homo sapiens (human))
BDBM50177107
PNG
(3-alpha-(4-methoxyphenyl)-2-alpha-(4-methylphenyl)...)
Show SMILES COc1ccc(cc1)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C22H27NO/c1-15-4-6-16(7-5-15)20-14-18-10-13-21(23(18)2)22(20)17-8-11-19(24-3)12-9-17/h4-9,11-12,18,20-22H,10,13-14H2,1-3H3/t18?,20-,21?,22+/m1/s1
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n/an/a 1.67E+3n/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 serotonin transporter


(Homo sapiens (human))
BDBM50366564
PNG
(CHEMBL1790051 | CHEMBL83729 | WIN-35065-2)
Show SMILES COC(=O)[C@@H]1C2CC[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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n/an/a 1.96E+3n/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 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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n/an/a>2.00E+3n/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))
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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n/an/a 3.30E+3n/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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n/an/a 3.85E+3n/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))
BDBM50177105
PNG
(3-alpha-phenyl-2-alpha-(4-methylphenyl)tropane | 3...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C21H25N/c1-15-8-10-17(11-9-15)21-19(16-6-4-3-5-7-16)14-18-12-13-20(21)22(18)2/h3-11,18-21H,12-14H2,1-2H3/t18?,19-,20?,21+/m1/s1
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n/an/a 6.10E+3n/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


(Homo sapiens (human))
BDBM50177108
PNG
(2-alpha,3-alpha-di(4-methylphenyl)tropane | 2-beta...)
Show SMILES CN1C2CCC1[C@@H]([C@@H](C2)c1ccc(C)cc1)c1ccc(C)cc1
Show InChI InChI=1S/C22H27N/c1-15-4-8-17(9-5-15)20-14-19-12-13-21(23(19)3)22(20)18-10-6-16(2)7-11-18/h4-11,19-22H,12-14H2,1-3H3/t19?,20-,21?,22+/m0/s1
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n/an/a 1.00E+4n/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))
BDBM50177104
PNG
(3-beta-(4'-methylphenyl)-2-beta-(3,4-dimethoxyphen...)
Show SMILES COc1ccc(cc1OC)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C23H29NO2/c1-15-5-7-16(8-6-15)19-14-18-10-11-20(24(18)2)23(19)17-9-12-21(25-3)22(13-17)26-4/h5-9,12-13,18-20,23H,10-11,14H2,1-4H3/t18?,19-,20?,23+/m1/s1
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n/an/a 1.00E+4n/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))
BDBM50177108
PNG
(2-alpha,3-alpha-di(4-methylphenyl)tropane | 2-beta...)
Show SMILES CN1C2CCC1[C@@H]([C@@H](C2)c1ccc(C)cc1)c1ccc(C)cc1
Show InChI InChI=1S/C22H27N/c1-15-4-8-17(9-5-15)20-14-19-12-13-21(23(19)3)22(20)18-10-6-16(2)7-11-18/h4-11,19-22H,12-14H2,1-3H3/t19?,20-,21?,22+/m0/s1
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n/an/a 1.30E+4n/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


(Homo sapiens (human))
BDBM50177104
PNG
(3-beta-(4'-methylphenyl)-2-beta-(3,4-dimethoxyphen...)
Show SMILES COc1ccc(cc1OC)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C23H29NO2/c1-15-5-7-16(8-6-15)19-14-18-10-11-20(24(18)2)23(19)17-9-12-21(25-3)22(13-17)26-4/h5-9,12-13,18-20,23H,10-11,14H2,1-4H3/t18?,19-,20?,23+/m1/s1
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n/an/a 1.37E+4n/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 serotonin transporter


(Homo sapiens (human))
BDBM50177111
PNG
(3-alpha-(4-methylphenyl)-2-beta-(3,4-dimethoxyphen...)
Show SMILES COc1ccc(cc1OC)[C@@H]1C2CCC(C[C@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C23H29NO2/c1-15-5-7-16(8-6-15)19-14-18-10-11-20(24(18)2)23(19)17-9-12-21(25-3)22(13-17)26-4/h5-9,12-13,18-20,23H,10-11,14H2,1-4H3/t18?,19-,20?,23-/m0/s1
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n/an/a 1.62E+4n/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 serotonin transporter


(Homo sapiens (human))
BDBM50177106
PNG
(2-alpha-3-alpha-diphenyltropane | 2-beta-3-beta-di...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H23N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17?,18-,19?,20+/m1/s1
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n/an/a 2.10E+4n/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 serotonin transporter


(Homo sapiens (human))
BDBM50177105
PNG
(3-alpha-phenyl-2-alpha-(4-methylphenyl)tropane | 3...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C21H25N/c1-15-8-10-17(11-9-15)21-19(16-6-4-3-5-7-16)14-18-12-13-20(21)22(18)2/h3-11,18-21H,12-14H2,1-2H3/t18?,19-,20?,21+/m1/s1
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n/an/a 4.50E+4n/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))
BDBM50177111
PNG
(3-alpha-(4-methylphenyl)-2-beta-(3,4-dimethoxyphen...)
Show SMILES COc1ccc(cc1OC)[C@@H]1C2CCC(C[C@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C23H29NO2/c1-15-5-7-16(8-6-15)19-14-18-10-11-20(24(18)2)23(19)17-9-12-21(25-3)22(13-17)26-4/h5-9,12-13,18-20,23H,10-11,14H2,1-4H3/t18?,19-,20?,23-/m0/s1
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n/an/a 7.80E+4n/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
* indicates data uncertainty>20%