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Compile Data Set for Download or QSAR

Found 95 hits Enz. Inhib. hit(s) with all data for entry = 50037889   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50212359
PNG
(CHEMBL558182 | threo-1-aza-4beta-hydroxy-5-(3,4-di...)
Show SMILES O[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H19Cl2NO/c16-11-5-4-10(9-12(11)17)15-13-3-1-2-7-18(13)8-6-14(15)19/h4-5,9,13-15,19H,1-3,6-8H2/t13-,14+,15-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50212365
PNG
(CHEMBL556365 | threo-1-aza-5-(3,4-dichlorophenyl)[...)
Show SMILES Clc1ccc(cc1Cl)[C@H]1CCCN2CCCC[C@H]12
Show InChI InChI=1S/C15H19Cl2N/c16-13-7-6-11(10-14(13)17)12-4-3-9-18-8-2-1-5-15(12)18/h6-7,10,12,15H,1-5,8-9H2/t12-,15-/m1/s1
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3.40n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50212361
PNG
((1R,2R,9aR)-1-(3,4-dichlorophenyl)-2-ethyl-octahyd...)
Show SMILES CC[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H23Cl2N/c1-2-12-8-10-20-9-4-3-5-16(20)17(12)13-6-7-14(18)15(19)11-13/h6-7,11-12,16-17H,2-5,8-10H2,1H3/t12-,16-,17-/m1/s1
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3.40n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50212387
PNG
(CHEMBL537653 | threo-3,4-dichlororitalinol hydroch...)
Show SMILES OC[C@@H]([C@H]1CCCCN1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H17Cl2NO/c14-11-5-4-9(7-12(11)15)10(8-17)13-3-1-2-6-16-13/h4-5,7,10,13,16-17H,1-3,6,8H2/t10-,13-/m1/s1
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3.90n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50212383
PNG
((1R,2S,9aR)-1-(3,4-dichlorophenyl)-2-ethyl-octahyd...)
Show SMILES CC[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H23Cl2N/c1-2-12-8-10-20-9-4-3-5-16(20)17(12)13-6-7-14(18)15(19)11-13/h6-7,11-12,16-17H,2-5,8-10H2,1H3/t12-,16+,17+/m0/s1
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4.10n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50142840
PNG
((R)-2-[(R)-(3,4-Dichloro-phenyl)-methoxycarbonyl-m...)
Show SMILES COC(=O)[C@@H]([C@H]1CCCC[NH2+]1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H17Cl2NO2/c1-19-14(18)13(12-4-2-3-7-17-12)9-5-6-10(15)11(16)8-9/h5-6,8,12-13,17H,2-4,7H2,1H3/p+1/t12-,13-/m1/s1
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4.80n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50212373
PNG
((1R,2S,9aR)-2-ethyl-1-phenyl-octahydro-1H-quinoliz...)
Show SMILES CC[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1
Show InChI InChI=1S/C17H25N/c1-2-14-11-13-18-12-7-6-10-16(18)17(14)15-8-4-3-5-9-15/h3-5,8-9,14,16-17H,2,6-7,10-13H2,1H3/t14-,16+,17+/m0/s1
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5.5n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50212381
PNG
(CHEMBL537874 | threo-1-aza-4beta-methoxy-5-phenyl[...)
Show SMILES CO[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1
Show InChI InChI=1S/C16H23NO/c1-18-15-10-12-17-11-6-5-9-14(17)16(15)13-7-3-2-4-8-13/h2-4,7-8,14-16H,5-6,9-12H2,1H3/t14-,15+,16-/m1/s1
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11n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50212385
PNG
(CHEMBL558394 | threo-1-aza-4-oxo-5-(3,4-dichloroph...)
Show SMILES Clc1ccc(cc1Cl)[C@@H]1[C@H]2CCCCN2CCC1=O
Show InChI InChI=1S/C15H17Cl2NO/c16-11-5-4-10(9-12(11)17)15-13-3-1-2-7-18(13)8-6-14(15)19/h4-5,9,13,15H,1-3,6-8H2/t13-,15-/m1/s1
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14n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50212365
PNG
(CHEMBL556365 | threo-1-aza-5-(3,4-dichlorophenyl)[...)
Show SMILES Clc1ccc(cc1Cl)[C@H]1CCCN2CCCC[C@H]12
Show InChI InChI=1S/C15H19Cl2N/c16-13-7-6-11(10-14(13)17)12-4-3-9-18-8-2-1-5-15(12)18/h6-7,10,12,15H,1-5,8-9H2/t12-,15-/m1/s1
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28n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in Sprague-Dawley rat cortical tissue


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50212359
PNG
(CHEMBL558182 | threo-1-aza-4beta-hydroxy-5-(3,4-di...)
Show SMILES O[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H19Cl2NO/c16-11-5-4-10(9-12(11)17)15-13-3-1-2-7-18(13)8-6-14(15)19/h4-5,9,13-15,19H,1-3,6-8H2/t13-,14+,15-/m1/s1
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28n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in Sprague-Dawley rat cortical tissue


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50212371
PNG
((1R,2R,9aR)-2-ethyl-1-phenyl-octahydro-1H-quinoliz...)
Show SMILES CC[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1
Show InChI InChI=1S/C17H25N/c1-2-14-11-13-18-12-7-6-10-16(18)17(14)15-8-4-3-5-9-15/h3-5,8-9,14,16-17H,2,6-7,10-13H2,1H3/t14-,16-,17-/m1/s1
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28n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50212363
PNG
(CHEMBL559186 | erythro-1-aza-5-(3,4-dichlorophenyl...)
Show SMILES Clc1ccc(cc1Cl)[C@@H]1CCCN2CCCC[C@H]12
Show InChI InChI=1S/C15H19Cl2N/c16-13-7-6-11(10-14(13)17)12-4-3-9-18-8-2-1-5-15(12)18/h6-7,10,12,15H,1-5,8-9H2/t12-,15+/m0/s1
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35n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50212382
PNG
(CHEMBL537652 | threo-1-aza-4alpha-hydroxy-5-(3,4-d...)
Show SMILES O[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H19Cl2NO/c16-11-5-4-10(9-12(11)17)15-13-3-1-2-7-18(13)8-6-14(15)19/h4-5,9,13-15,19H,1-3,6-8H2/t13-,14-,15-/m1/s1
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36n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50212373
PNG
((1R,2S,9aR)-2-ethyl-1-phenyl-octahydro-1H-quinoliz...)
Show SMILES CC[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1
Show InChI InChI=1S/C17H25N/c1-2-14-11-13-18-12-7-6-10-16(18)17(14)15-8-4-3-5-9-15/h3-5,8-9,14,16-17H,2,6-7,10-13H2,1H3/t14-,16+,17+/m0/s1
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61n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in Sprague-Dawley rat cortical tissue


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50212381
PNG
(CHEMBL537874 | threo-1-aza-4beta-methoxy-5-phenyl[...)
Show SMILES CO[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1
Show InChI InChI=1S/C16H23NO/c1-18-15-10-12-17-11-6-5-9-14(17)16(15)13-7-3-2-4-8-13/h2-4,7-8,14-16H,5-6,9-12H2,1H3/t14-,15+,16-/m1/s1
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64n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in Sprague-Dawley rat cortical tissue


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50142839
PNG
((R)-2-((R)-Methoxycarbonyl-phenyl-methyl)-piperidi...)
Show SMILES COC(=O)[C@@H]([C@H]1CCCC[NH2+]1)c1ccccc1
Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/p+1/t12-,13-/m1/s1
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75n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50212366
PNG
(CHEMBL541896 | threo-1-aza-3beta-methyl-5-phenyl[4...)
Show SMILES C[C@@H]1C[C@@H]([C@H]2CCCCN2C1)c1ccccc1
Show InChI InChI=1S/C16H23N/c1-13-11-15(14-7-3-2-4-8-14)16-9-5-6-10-17(16)12-13/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3/t13-,15-,16-/m1/s1
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76n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in Sprague-Dawley rat cortical tissue


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50212357
PNG
(CHEMBL537206 | threo-1-aza-5-phenyl[4.4.0]decane h...)
Show SMILES C1CCN2CCC[C@@H]([C@H]2C1)c1ccccc1
Show InChI InChI=1S/C15H21N/c1-2-7-13(8-3-1)14-9-6-12-16-11-5-4-10-15(14)16/h1-3,7-8,14-15H,4-6,9-12H2/t14-,15-/m1/s1
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76n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50212378
PNG
(CHEMBL537431 | threo-ritalinol methyl ether hydroc...)
Show SMILES COC[C@@H]([C@H]1CCCCN1)c1ccccc1
Show InChI InChI=1S/C14H21NO/c1-16-11-13(12-7-3-2-4-8-12)14-9-5-6-10-15-14/h2-4,7-8,13-15H,5-6,9-11H2,1H3/t13-,14-/m1/s1
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90n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50212383
PNG
((1R,2S,9aR)-1-(3,4-dichlorophenyl)-2-ethyl-octahyd...)
Show SMILES CC[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H23Cl2N/c1-2-12-8-10-20-9-4-3-5-16(20)17(12)13-6-7-14(18)15(19)11-13/h6-7,11-12,16-17H,2-5,8-10H2,1H3/t12-,16+,17+/m0/s1
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99n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in Sprague-Dawley rat cortical tissue


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50212363
PNG
(CHEMBL559186 | erythro-1-aza-5-(3,4-dichlorophenyl...)
Show SMILES Clc1ccc(cc1Cl)[C@@H]1CCCN2CCCC[C@H]12
Show InChI InChI=1S/C15H19Cl2N/c16-13-7-6-11(10-14(13)17)12-4-3-9-18-8-2-1-5-15(12)18/h6-7,10,12,15H,1-5,8-9H2/t12-,15+/m0/s1
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102n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from 5HTT in Sprague-Dawley rat cerebrum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50212361
PNG
((1R,2R,9aR)-1-(3,4-dichlorophenyl)-2-ethyl-octahyd...)
Show SMILES CC[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H23Cl2N/c1-2-12-8-10-20-9-4-3-5-16(20)17(12)13-6-7-14(18)15(19)11-13/h6-7,11-12,16-17H,2-5,8-10H2,1H3/t12-,16-,17-/m1/s1
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102n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in Sprague-Dawley rat cortical tissue


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50212384
PNG
(CHEMBL557356 | threo-1-aza-4beta-hydroxy-5-phenyl[...)
Show SMILES O[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1
Show InChI InChI=1S/C15H21NO/c17-14-9-11-16-10-5-4-8-13(16)15(14)12-6-2-1-3-7-12/h1-3,6-7,13-15,17H,4-5,8-11H2/t13-,14+,15-/m1/s1
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108n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50212366
PNG
(CHEMBL541896 | threo-1-aza-3beta-methyl-5-phenyl[4...)
Show SMILES C[C@@H]1C[C@@H]([C@H]2CCCCN2C1)c1ccccc1
Show InChI InChI=1S/C16H23N/c1-13-11-15(14-7-3-2-4-8-14)16-9-5-6-10-17(16)12-13/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3/t13-,15-,16-/m1/s1
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119n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50212365
PNG
(CHEMBL556365 | threo-1-aza-5-(3,4-dichlorophenyl)[...)
Show SMILES Clc1ccc(cc1Cl)[C@H]1CCCN2CCCC[C@H]12
Show InChI InChI=1S/C15H19Cl2N/c16-13-7-6-11(10-14(13)17)12-4-3-9-18-8-2-1-5-15(12)18/h6-7,10,12,15H,1-5,8-9H2/t12-,15-/m1/s1
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121n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from 5HTT in Sprague-Dawley rat cerebrum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50212357
PNG
(CHEMBL537206 | threo-1-aza-5-phenyl[4.4.0]decane h...)
Show SMILES C1CCN2CCC[C@@H]([C@H]2C1)c1ccccc1
Show InChI InChI=1S/C15H21N/c1-2-7-13(8-3-1)14-9-6-12-16-11-5-4-10-15(14)16/h1-3,7-8,14-15H,4-6,9-12H2/t14-,15-/m1/s1
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138n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in Sprague-Dawley rat cortical tissue


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
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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156n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50212363
PNG
(CHEMBL559186 | erythro-1-aza-5-(3,4-dichlorophenyl...)
Show SMILES Clc1ccc(cc1Cl)[C@@H]1CCCN2CCCC[C@H]12
Show InChI InChI=1S/C15H19Cl2N/c16-13-7-6-11(10-14(13)17)12-4-3-9-18-8-2-1-5-15(12)18/h6-7,10,12,15H,1-5,8-9H2/t12-,15+/m0/s1
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160n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in Sprague-Dawley rat cortical tissue


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50212359
PNG
(CHEMBL558182 | threo-1-aza-4beta-hydroxy-5-(3,4-di...)
Show SMILES O[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H19Cl2NO/c16-11-5-4-10(9-12(11)17)15-13-3-1-2-7-18(13)8-6-14(15)19/h4-5,9,13-15,19H,1-3,6-8H2/t13-,14+,15-/m1/s1
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168n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from 5HTT in Sprague-Dawley rat cerebrum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50212360
PNG
(CHEMBL540625 | threo-1-aza-4alpha-hydroxy-4beta-et...)
Show SMILES CC[C@@]1(O)CCN2CCCC[C@@H]2[C@H]1c1ccccc1
Show InChI InChI=1S/C17H25NO/c1-2-17(19)11-13-18-12-7-6-10-15(18)16(17)14-8-4-3-5-9-14/h3-5,8-9,15-16,19H,2,6-7,10-13H2,1H3/t15-,16-,17-/m1/s1
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175n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50212367
PNG
(CHEMBL541895 | threo-1-aza-3alpha-methyl-5-phenyl[...)
Show SMILES C[C@H]1C[C@@H]([C@H]2CCCCN2C1)c1ccccc1
Show InChI InChI=1S/C16H23N/c1-13-11-15(14-7-3-2-4-8-14)16-9-5-6-10-17(16)12-13/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3/t13-,15+,16+/m0/s1
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178n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50212383
PNG
((1R,2S,9aR)-1-(3,4-dichlorophenyl)-2-ethyl-octahyd...)
Show SMILES CC[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H23Cl2N/c1-2-12-8-10-20-9-4-3-5-16(20)17(12)13-6-7-14(18)15(19)11-13/h6-7,11-12,16-17H,2-5,8-10H2,1H3/t12-,16+,17+/m0/s1
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199n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from 5HTT in Sprague-Dawley rat cerebrum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50212366
PNG
(CHEMBL541896 | threo-1-aza-3beta-methyl-5-phenyl[4...)
Show SMILES C[C@@H]1C[C@@H]([C@H]2CCCCN2C1)c1ccccc1
Show InChI InChI=1S/C16H23N/c1-13-11-15(14-7-3-2-4-8-14)16-9-5-6-10-17(16)12-13/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3/t13-,15-,16-/m1/s1
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243n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from 5HTT in Sprague-Dawley rat cerebrum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50142839
PNG
((R)-2-((R)-Methoxycarbonyl-phenyl-methyl)-piperidi...)
Show SMILES COC(=O)[C@@H]([C@H]1CCCC[NH2+]1)c1ccccc1
Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/p+1/t12-,13-/m1/s1
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270n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in Sprague-Dawley rat cortical tissue


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50212387
PNG
(CHEMBL537653 | threo-3,4-dichlororitalinol hydroch...)
Show SMILES OC[C@@H]([C@H]1CCCCN1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H17Cl2NO/c14-11-5-4-9(7-12(11)15)10(8-17)13-3-1-2-6-16-13/h4-5,7,10,13,16-17H,1-3,6,8H2/t10-,13-/m1/s1
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276n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from 5HTT in Sprague-Dawley rat cerebrum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50212385
PNG
(CHEMBL558394 | threo-1-aza-4-oxo-5-(3,4-dichloroph...)
Show SMILES Clc1ccc(cc1Cl)[C@@H]1[C@H]2CCCCN2CCC1=O
Show InChI InChI=1S/C15H17Cl2NO/c16-11-5-4-10(9-12(11)17)15-13-3-1-2-7-18(13)8-6-14(15)19/h4-5,9,13,15H,1-3,6-8H2/t13-,15-/m1/s1
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280n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in Sprague-Dawley rat cortical tissue


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50212361
PNG
((1R,2R,9aR)-1-(3,4-dichlorophenyl)-2-ethyl-octahyd...)
Show SMILES CC[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H23Cl2N/c1-2-12-8-10-20-9-4-3-5-16(20)17(12)13-6-7-14(18)15(19)11-13/h6-7,11-12,16-17H,2-5,8-10H2,1H3/t12-,16-,17-/m1/s1
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286n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from 5HTT in Sprague-Dawley rat cerebrum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
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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306n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from 5HTT in Sprague-Dawley rat cerebrum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50212384
PNG
(CHEMBL557356 | threo-1-aza-4beta-hydroxy-5-phenyl[...)
Show SMILES O[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1
Show InChI InChI=1S/C15H21NO/c17-14-9-11-16-10-5-4-8-13(16)15(14)12-6-2-1-3-7-12/h1-3,6-7,13-15,17H,4-5,8-11H2/t13-,14+,15-/m1/s1
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351n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in Sprague-Dawley rat cortical tissue


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50212369
PNG
(CHEMBL537654 | erythro-3,4-dichloromethylphenidate...)
Show SMILES COC(=O)[C@H]([C@H]1CCCCN1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H17Cl2NO2/c1-19-14(18)13(12-4-2-3-7-17-12)9-5-6-10(15)11(16)8-9/h5-6,8,12-13,17H,2-4,7H2,1H3/t12-,13+/m1/s1
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363n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50212382
PNG
(CHEMBL537652 | threo-1-aza-4alpha-hydroxy-5-(3,4-d...)
Show SMILES O[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H19Cl2NO/c16-11-5-4-10(9-12(11)17)15-13-3-1-2-7-18(13)8-6-14(15)19/h4-5,9,13-15,19H,1-3,6-8H2/t13-,14-,15-/m1/s1
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367n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in Sprague-Dawley rat cortical tissue


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50212386
PNG
(CHEMBL537209 | threo-ritalinol hydrochloride)
Show SMILES OC[C@@H]([C@H]1CCCCN1)c1ccccc1
Show InChI InChI=1S/C13H19NO/c15-10-12(11-6-2-1-3-7-11)13-8-4-5-9-14-13/h1-3,6-7,12-15H,4-5,8-10H2/t12-,13-/m1/s1
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406n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50212371
PNG
((1R,2R,9aR)-2-ethyl-1-phenyl-octahydro-1H-quinoliz...)
Show SMILES CC[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1
Show InChI InChI=1S/C17H25N/c1-2-14-11-13-18-12-7-6-10-16(18)17(14)15-8-4-3-5-9-15/h3-5,8-9,14,16-17H,2,6-7,10-13H2,1H3/t14-,16-,17-/m1/s1
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411n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in Sprague-Dawley rat cortical tissue


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50212367
PNG
(CHEMBL541895 | threo-1-aza-3alpha-methyl-5-phenyl[...)
Show SMILES C[C@H]1C[C@@H]([C@H]2CCCCN2C1)c1ccccc1
Show InChI InChI=1S/C16H23N/c1-13-11-15(14-7-3-2-4-8-14)16-9-5-6-10-17(16)12-13/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3/t13-,15+,16+/m0/s1
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427n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from 5HTT in Sprague-Dawley rat cerebrum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50212368
PNG
(CHEMBL537429 | threo-1-aza-5-(2-chlorophenyl)[4.4....)
Show SMILES Clc1ccccc1[C@H]1CCCN2CCCC[C@H]12
Show InChI InChI=1S/C15H20ClN/c16-14-8-2-1-6-12(14)13-7-5-11-17-10-4-3-9-15(13)17/h1-2,6,8,13,15H,3-5,7,9-11H2/t13-,15-/m1/s1
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480n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50212380
PNG
(1-benzylpiperidine hydrochloride | CHEMBL556366)
Show SMILES C1CNCC(C1)c1ccccc1 |w:4.6|
Show InChI InChI=1S/C11H15N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-3,5-6,11-12H,4,7-9H2
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534n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in Sprague-Dawley rat cortical tissue


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50370983
PNG
(CHEMBL1203942)
Show SMILES CO[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C16H23NO/c1-18-15-10-12-17-11-6-5-9-14(17)16(15)13-7-3-2-4-8-13/h2-4,7-8,14-16H,5-6,9-12H2,1H3/t14-,15-,16-/m1/s1
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570n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50142840
PNG
((R)-2-[(R)-(3,4-Dichloro-phenyl)-methoxycarbonyl-m...)
Show SMILES COC(=O)[C@@H]([C@H]1CCCC[NH2+]1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H17Cl2NO2/c1-19-14(18)13(12-4-2-3-7-17-12)9-5-6-10(15)11(16)8-9/h5-6,8,12-13,17H,2-4,7H2,1H3/p+1/t12-,13-/m1/s1
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667n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from 5HTT in Sprague-Dawley rat cerebrum


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50212367
PNG
(CHEMBL541895 | threo-1-aza-3alpha-methyl-5-phenyl[...)
Show SMILES C[C@H]1C[C@@H]([C@H]2CCCCN2C1)c1ccccc1
Show InChI InChI=1S/C16H23N/c1-13-11-15(14-7-3-2-4-8-14)16-9-5-6-10-17(16)12-13/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3/t13-,15+,16+/m0/s1
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694n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in Sprague-Dawley rat cortical tissue


J Med Chem 50: 2718-31 (2007)


Article DOI: 10.1021/jm061354p
BindingDB Entry DOI: 10.7270/Q2Q81DXB
More data for this
Ligand-Target Pair
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