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Compile Data Set for Download or QSAR

Found 493 hits with Last Name = 'deutsch' and Initial = 'hm'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50327157
PNG
((R)-methyl 2-(3,4-dichlorophenyl)-2-((R)-piperidin...)
Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(Cl)c(Cl)c1 |r|
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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1.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35,428 from human DAT expressed in mouse N2A cells after 15 mins by liquid scintillation counting


ACS Med Chem Lett 3: 378-382 (2012)


Article DOI: 10.1021/ml3000098
BindingDB Entry DOI: 10.7270/Q2FX7BHG
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(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
Monoamine transporters; Norepininephrine & dopamine


(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
Monoamine transporters; Norepininephrine & dopamine


(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
Monoamine transporters; Norepininephrine & dopamine


(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


(Homo sapiens (Human))
BDBM50388871
PNG
(CHEMBL2062931)
Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(N=[N+]=[N-])c(I)c1 |r|
Show InChI InChI=1S/C14H17IN4O2/c1-21-14(20)13(12-4-2-3-7-17-12)9-5-6-11(18-19-16)10(15)8-9/h5-6,8,12-13,17H,2-4,7H2,1H3/t12-,13-/m1/s1
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4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35,428 from human DAT expressed in mouse N2A cells after 15 mins by liquid scintillation counting


ACS Med Chem Lett 3: 378-382 (2012)


Article DOI: 10.1021/ml3000098
BindingDB Entry DOI: 10.7270/Q2FX7BHG
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(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


(Homo sapiens (Human))
BDBM50334215
PNG
((+/-)-threo-3-Iodomethylphenidate | CHEMBL1641691)
Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1cccc(I)c1 |r|
Show InChI InChI=1S/C14H18INO2/c1-18-14(17)13(12-7-2-3-8-16-12)10-5-4-6-11(15)9-10/h4-6,9,12-13,16H,2-3,7-8H2,1H3/t12-,13-/m1/s1
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4.5n/an/an/an/an/an/an/an/a



Duquesne University Mylan School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig


Bioorg Med Chem 19: 504-12 (2011)


Article DOI: 10.1016/j.bmc.2010.11.002
BindingDB Entry DOI: 10.7270/Q29Z9567
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50334215
PNG
((+/-)-threo-3-Iodomethylphenidate | CHEMBL1641691)
Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1cccc(I)c1 |r|
Show InChI InChI=1S/C14H18INO2/c1-18-14(17)13(12-7-2-3-8-16-12)10-5-4-6-11(15)9-10/h4-6,9,12-13,16H,2-3,7-8H2,1H3/t12-,13-/m1/s1
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4.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35,428 from human DAT expressed in mouse N2A cells after 15 mins by liquid scintillation counting


ACS Med Chem Lett 3: 378-382 (2012)


Article DOI: 10.1021/ml3000098
BindingDB Entry DOI: 10.7270/Q2FX7BHG
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(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
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM85936
PNG
(3CTMP)
Show SMILES COC(=O)[C@@H]([C@@H]1CCCCN1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C14H18ClNO2/c1-18-14(17)13(12-7-2-3-8-16-12)10-5-4-6-11(15)9-10/h4-6,9,12-13,16H,2-3,7-8H2,1H3/t12-,13+/m0/s1
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5.10n/an/an/an/an/an/an/an/a



Mercer University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 301: 527-35 (2002)


Article DOI: 10.1021/acs.biochem.5b01325
BindingDB Entry DOI: 10.7270/Q2C53JFB
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM85940
PNG
(3,4CTMP)
Show SMILES COC(=O)[C@@H]([C@@H]1CCCCN1)c1ccc(Cl)c(Cl)c1 |r|
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+/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Mercer University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 301: 527-35 (2002)


Article DOI: 10.1021/acs.biochem.5b01325
BindingDB Entry DOI: 10.7270/Q2C53JFB
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(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


(Homo sapiens (Human))
BDBM50327143
PNG
((R)-methyl 2-(4-aminophenyl)-2-((R)-piperidin-2-yl...)
Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C14H20N2O2/c1-18-14(17)13(12-4-2-3-9-16-12)10-5-7-11(15)8-6-10/h5-8,12-13,16H,2-4,9,15H2,1H3/t12-,13-/m1/s1
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6.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35,428 from human DAT expressed in mouse N2A cells after 15 mins by liquid scintillation counting


ACS Med Chem Lett 3: 378-382 (2012)


Article DOI: 10.1021/ml3000098
BindingDB Entry DOI: 10.7270/Q2FX7BHG
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50388869
PNG
(CHEMBL2062932)
Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(N)c(I)c1 |r|
Show InChI InChI=1S/C14H19IN2O2/c1-19-14(18)13(12-4-2-3-7-17-12)9-5-6-11(16)10(15)8-9/h5-6,8,12-13,17H,2-4,7,16H2,1H3/t12-,13-/m1/s1
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9.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35,428 from human DAT expressed in mouse N2A cells after 15 mins by liquid scintillation counting


ACS Med Chem Lett 3: 378-382 (2012)


Article DOI: 10.1021/ml3000098
BindingDB Entry DOI: 10.7270/Q2FX7BHG
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM25870
PNG
(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3
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9.20n/an/an/an/an/an/an/an/a



Mercer University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 301: 527-35 (2002)


Article DOI: 10.1021/acs.biochem.5b01325
BindingDB Entry DOI: 10.7270/Q2C53JFB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Monoamine transporters; Norepininephrine & dopamine


(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


(Homo sapiens (Human))
BDBM50327148
PNG
((R)-methyl 2-(4-iodophenyl)-2-((R)-piperidin-2-yl)...)
Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(I)cc1 |r|
Show InChI InChI=1S/C14H18INO2/c1-18-14(17)13(12-4-2-3-9-16-12)10-5-7-11(15)8-6-10/h5-8,12-13,16H,2-4,9H2,1H3/t12-,13-/m1/s1
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14n/an/an/an/an/an/an/an/a



Duquesne University Mylan School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig


Bioorg Med Chem 19: 504-12 (2011)


Article DOI: 10.1016/j.bmc.2010.11.002
BindingDB Entry DOI: 10.7270/Q29Z9567
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(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
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50062915
PNG
(CHEMBL827 | METHYLPHENIDATE | methyl (2R)-phenyl[(...)
Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)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/t12-,13-/m1/s1
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16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35,428 from human DAT expressed in mouse N2A cells after 15 mins by liquid scintillation counting


ACS Med Chem Lett 3: 378-382 (2012)


Article DOI: 10.1021/ml3000098
BindingDB Entry DOI: 10.7270/Q2FX7BHG
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM85938
PNG
(TROMeNBn)
Show SMILES CCCCN1CCCC[C@H]1[C@H](COC)c1ccccc1 |r|
Show InChI InChI=1S/C18H29NO/c1-3-4-13-19-14-9-8-12-18(19)17(15-20-2)16-10-6-5-7-11-16/h5-7,10-11,17-18H,3-4,8-9,12-15H2,1-2H3/t17-,18+/m1/s1
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17.8n/an/an/an/an/an/an/an/a



Mercer University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 301: 527-35 (2002)


Article DOI: 10.1021/acs.biochem.5b01325
BindingDB Entry DOI: 10.7270/Q2C53JFB
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM85939
PNG
(TROHNBn)
Show SMILES CCCCN1CCCC[C@H]1[C@H](CO)c1ccccc1 |r|
Show InChI InChI=1S/C17H27NO/c1-2-3-12-18-13-8-7-11-17(18)16(14-19)15-9-5-4-6-10-15/h4-6,9-10,16-17,19H,2-3,7-8,11-14H2,1H3/t16-,17+/m1/s1
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23.7n/an/an/an/an/an/an/an/a



Mercer University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 301: 527-35 (2002)


Article DOI: 10.1021/acs.biochem.5b01325
BindingDB Entry DOI: 10.7270/Q2C53JFB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50062915
PNG
(CHEMBL827 | METHYLPHENIDATE | methyl (2R)-phenyl[(...)
Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)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/t12-,13-/m1/s1
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25n/an/an/an/an/an/an/an/a



Duquesne University Mylan School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig


Bioorg Med Chem 19: 504-12 (2011)


Article DOI: 10.1016/j.bmc.2010.11.002
BindingDB Entry DOI: 10.7270/Q29Z9567
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(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
Norepinephrine Monoamine transporters


(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
Norepinephrine Monoamine transporters


(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
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM85934
PNG
(4MeTMP)
Show SMILES COC(=O)[C@@H]([C@@H]1CCCCN1)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C15H21NO2/c1-11-6-8-12(9-7-11)14(15(17)18-2)13-5-3-4-10-16-13/h6-9,13-14,16H,3-5,10H2,1-2H3/t13-,14+/m0/s1
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33n/an/an/an/an/an/an/an/a



Mercer University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 301: 527-35 (2002)


Article DOI: 10.1021/acs.biochem.5b01325
BindingDB Entry DOI: 10.7270/Q2C53JFB
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM85932
PNG
(4ATMP)
Show SMILES COC(=O)[C@@H]([C@@H]1CCCCN1)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C14H20N2O2/c1-18-14(17)13(12-4-2-3-9-16-12)10-5-7-11(15)8-6-10/h5-8,12-13,16H,2-4,9,15H2,1H3/t12-,13+/m0/s1
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34.5n/an/an/an/an/an/an/an/a



Mercer University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 301: 527-35 (2002)


Article DOI: 10.1021/acs.biochem.5b01325
BindingDB Entry DOI: 10.7270/Q2C53JFB
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM85942
PNG
(4FTMP)
Show SMILES COC(=O)[C@@H]([C@@H]1CCCCN1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C14H18FNO2/c1-18-14(17)13(12-4-2-3-9-16-12)10-5-7-11(15)8-6-10/h5-8,12-13,16H,2-4,9H2,1H3/t12-,13+/m0/s1
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35n/an/an/an/an/an/an/an/a



Mercer University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 301: 527-35 (2002)


Article DOI: 10.1021/acs.biochem.5b01325
BindingDB Entry DOI: 10.7270/Q2C53JFB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50388870
PNG
(CHEMBL2062933)
Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(cc1)N=[N+]=[N-] |r|
Show InChI InChI=1S/C14H18N4O2/c1-20-14(19)13(12-4-2-3-9-16-12)10-5-7-11(8-6-10)17-18-15/h5-8,12-13,16H,2-4,9H2,1H3/t12-,13-/m1/s1
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35n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35,428 from human DAT expressed in mouse N2A cells after 15 mins by liquid scintillation counting


ACS Med Chem Lett 3: 378-382 (2012)


Article DOI: 10.1021/ml3000098
BindingDB Entry DOI: 10.7270/Q2FX7BHG
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(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
Monoamine transporters; Norepininephrine & dopamine


(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
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM85941
PNG
(TMPNBn)
Show SMILES CCCCN1CCCC[C@H]1[C@H](C(=O)OC)c1ccccc1 |r|
Show InChI InChI=1S/C18H27NO2/c1-3-4-13-19-14-9-8-12-16(19)17(18(20)21-2)15-10-6-5-7-11-15/h5-7,10-11,16-17H,3-4,8-9,12-14H2,1-2H3/t16-,17+/m0/s1
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52.9n/an/an/an/an/an/an/an/a



Mercer University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 301: 527-35 (2002)


Article DOI: 10.1021/acs.biochem.5b01325
BindingDB Entry DOI: 10.7270/Q2C53JFB
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(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
Norepinephrine Monoamine transporters


(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
Monoamine transporters; Norepininephrine & dopamine


(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
Monoamine transporters; Norepininephrine & dopamine


(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
Norepinephrine Monoamine transporters


(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


(Homo sapiens (Human))
BDBM50327141
PNG
((R)-methyl 2-(4-nitrophenyl)-2-((R)-piperidin-2-yl...)
Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(cc1)[N+]([O-])=O |r|
Show InChI InChI=1S/C14H18N2O4/c1-20-14(17)13(12-4-2-3-9-15-12)10-5-7-11(8-6-10)16(18)19/h5-8,12-13,15H,2-4,9H2,1H3/t12-,13-/m1/s1
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77n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35,428 from human DAT expressed in mouse N2A cells after 15 mins by liquid scintillation counting


ACS Med Chem Lett 3: 378-382 (2012)


Article DOI: 10.1021/ml3000098
BindingDB Entry DOI: 10.7270/Q2FX7BHG
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM85933
PNG
(TMP)
Show SMILES COC(=O)[C@@H]([C@@H]1CCCCN1)c1ccccc1 |r|
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/t12-,13+/m0/s1
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83n/an/an/an/an/an/an/an/a



Mercer University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 301: 527-35 (2002)


Article DOI: 10.1021/acs.biochem.5b01325
BindingDB Entry DOI: 10.7270/Q2C53JFB
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(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
Norepinephrine Monoamine transporters


(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
Monoamine transporters; Norepinephrine & serotonin


(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
Norepinephrine Monoamine transporters


(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
Monoamine transporters; Norepininephrine & dopamine


(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
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50366775
PNG
(BENZTROPINE | Benzatropine)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20+
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118n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to the cocaine binding site on the dopamine transporter (DAT) in synaptosomal membrane preparations from rat stri...


J Med Chem 46: 1456-64 (2003)


Article DOI: 10.1021/jm020410t
BindingDB Entry DOI: 10.7270/Q2W096PJ
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(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
Monoamine transporters; Norepinephrine & serotonin


(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
Norepinephrine Monoamine transporters


(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
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM85943
PNG
(4MeTMPNMe)
Show SMILES COC(=O)[C@@H]([C@@H]1CCCCN1C)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C16H23NO2/c1-12-7-9-13(10-8-12)15(16(18)19-3)14-6-4-5-11-17(14)2/h7-10,14-15H,4-6,11H2,1-3H3/t14-,15+/m0/s1
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140n/an/an/an/an/an/an/an/a



Mercer University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 301: 527-35 (2002)


Article DOI: 10.1021/acs.biochem.5b01325
BindingDB Entry DOI: 10.7270/Q2C53JFB
More data for this
Ligand-Target Pair
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