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Compile Data Set for Download or QSAR

Found 6669 hits Enz. Inhib. hit(s) with Target = 'Monoamine transporters; Norepininephrine & dopamine'   
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
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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0.0600n/an/an/an/an/an/an/an/a



Research Biochemicals International

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine transporter in rat striatal membranes by [3H]GBR-12395 displacement.


J Med Chem 39: 543-8 (1996)


Article DOI: 10.1021/jm9505324
BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50041293
PNG
(1-(8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]...)
Show SMILES CCC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C
Show InChI InChI=1S/C21H25NO/c1-3-20(23)21-18(13-17-10-11-19(21)22(17)2)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12,17-19,21H,3,10-11,13H2,1-2H3
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0.140n/an/an/an/an/an/an/an/a



Wake Forest University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 293: 686-96 (2000)


BindingDB Entry DOI: 10.7270/Q2H993QF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50032539
PNG
((2S,3S)-3-(4-Chloro-phenyl)-8-methyl-2-((Z)-styryl...)
Show SMILES CN1C2CCC1[C@@H](\C=C/c1ccccc1)[C@H](C2)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClN/c1-24-19-12-14-22(24)20(13-7-16-5-3-2-4-6-16)21(15-19)17-8-10-18(23)11-9-17/h2-11,13,19-22H,12,14-15H2,1H3/b13-7-/t19?,20-,21+,22?/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter using [3H]-mazindol as radioligand in rat striatal membranes.


J Med Chem 38: 3086-93 (1995)


Article DOI: 10.1021/jm00016a012
BindingDB Entry DOI: 10.7270/Q2KS6S69
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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0.150n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 301: 1097-102 (2002)


Article DOI: 10.1016/j.bioorg.2016.03.001
BindingDB Entry DOI: 10.7270/Q2ZW1JH0
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50028288
PNG
(6-(4-Chloro-phenyl)-1,2,3,5,6,10b-hexahydro-pyrrol...)
Show SMILES Clc1ccc(cc1)C1CN2CCC[C@H]2c2ccccc12
Show InChI InChI=1S/C18H18ClN/c19-14-9-7-13(8-10-14)17-12-20-11-3-6-18(20)16-5-2-1-4-15(16)17/h1-2,4-5,7-10,17-18H,3,6,11-12H2/t17?,18-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine (NE) into rat brain synaptosomes


J Med Chem 27: 943-6 (1984)


Article DOI: 10.1021/jm00374a001
BindingDB Entry DOI: 10.7270/Q2VT1SPH
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50367554
PNG
(CHEMBL1743782)
Show SMILES Clc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C18H18ClN/c19-14-9-7-13(8-10-14)17-12-20-11-3-6-18(20)16-5-2-1-4-15(16)17/h1-2,4-5,7-10,17-18H,3,6,11-12H2/t17-,18+/m0/s1
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0.160n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


Article DOI: 10.1021/jm00391a028
BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50367584
PNG
(CHEMBL1743810)
Show SMILES Nc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C18H20N2/c19-14-9-7-13(8-10-14)17-12-20-11-3-6-18(20)16-5-2-1-4-15(16)17/h1-2,4-5,7-10,17-18H,3,6,11-12,19H2/t17-,18+/m0/s1
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0.200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


Article DOI: 10.1021/jm00391a028
BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50452190
PNG
(CHEMBL2093944)
Show SMILES Nc1ccc(cc1)[C@H]1CN2CCC[C@H]2c2ccccc12
Show InChI InChI=1S/C18H20N2.BrH/c19-14-9-7-13(8-10-14)17-12-20-11-3-6-18(20)16-5-2-1-4-15(16)17;/h1-2,4-5,7-10,17-18H,3,6,11-12,19H2;1H/t17-,18+;/m1./s1
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0.200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine (NE) into rat brain synaptosomes


J Med Chem 27: 943-6 (1984)


Article DOI: 10.1021/jm00374a001
BindingDB Entry DOI: 10.7270/Q2VT1SPH
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50123257
PNG
(4-Benzhydryl-pyridine | CHEMBL150045)
Show SMILES c1ccc(cc1)C(c1ccccc1)c1ccncc1
Show InChI InChI=1S/C18H15N/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-14,18H
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0.200n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of reuptake of DA into striatal nerve endings (synaptosomes)


Bioorg Med Chem Lett 13: 513-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00943-5
BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50032536
PNG
((2R,3S)-3-(4-Chloro-phenyl)-2-((Z)-2-chloro-vinyl)...)
Show SMILES CN1C2CCC1[C@@H](\C=C/Cl)[C@H](C2)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H19Cl2N/c1-19-13-6-7-16(19)14(8-9-17)15(10-13)11-2-4-12(18)5-3-11/h2-5,8-9,13-16H,6-7,10H2,1H3/b9-8-/t13?,14-,15+,16?/m0/s1
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0.220n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter using [3H]-mazindol as radioligand in rat striatal membranes.


J Med Chem 38: 3086-93 (1995)


Article DOI: 10.1021/jm00016a012
BindingDB Entry DOI: 10.7270/Q2KS6S69
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50035766
PNG
(3-(4-Bromo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oc...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Br)cc1)N2C
Show InChI InChI=1S/C16H20BrNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-CIT from dopamine transporter of rat striatal homogenate


Bioorg Med Chem Lett 14: 5635-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.049
BindingDB Entry DOI: 10.7270/Q2RB743J
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50032539
PNG
((2S,3S)-3-(4-Chloro-phenyl)-8-methyl-2-((Z)-styryl...)
Show SMILES CN1C2CCC1[C@@H](\C=C/c1ccccc1)[C@H](C2)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClN/c1-24-19-12-14-22(24)20(13-7-16-5-3-2-4-6-16)21(15-19)17-8-10-18(23)11-9-17/h2-11,13,19-22H,12,14-15H2,1H3/b13-7-/t19?,20-,21+,22?/m0/s1
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0.310n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine binding to rat striatal synaptosome dopamine transporter


J Med Chem 38: 3086-93 (1995)


Article DOI: 10.1021/jm00016a012
BindingDB Entry DOI: 10.7270/Q2KS6S69
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50032534
PNG
((2S,3S)-3-(4-Chloro-phenyl)-8-methyl-2-((E)-styryl...)
Show SMILES CN1C2CCC1[C@@H](\C=C\c1ccccc1)[C@H](C2)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClN/c1-24-19-12-14-22(24)20(13-7-16-5-3-2-4-6-16)21(15-19)17-8-10-18(23)11-9-17/h2-11,13,19-22H,12,14-15H2,1H3/b13-7+/t19?,20-,21+,22?/m0/s1
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0.310n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter using [3H]-mazindol as radioligand in rat striatal membranes.


J Med Chem 38: 3086-93 (1995)


Article DOI: 10.1021/jm00016a012
BindingDB Entry DOI: 10.7270/Q2KS6S69
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus)
BDBM50021874
PNG
(6-Phenyl-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]iso...)
Show SMILES C1C[C@H]2N(C1)C[C@@H](c1ccccc1)c1ccccc21
Show InChI InChI=1S/C18H19N/c1-2-7-14(8-3-1)17-13-19-12-6-11-18(19)16-10-5-4-9-15(16)17/h1-5,7-10,17-18H,6,11-13H2/t17-,18+/m0/s1
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0.370n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


Article DOI: 10.1021/jm00391a028
BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50028277
PNG
(6-Phenyl-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]iso...)
Show SMILES C1C[C@@H]2N(C1)CC(c1ccccc1)c1ccccc21
Show InChI InChI=1S/C18H19N/c1-2-7-14(8-3-1)17-13-19-12-6-11-18(19)16-10-5-4-9-15(16)17/h1-5,7-10,17-18H,6,11-13H2/t17?,18-/m0/s1
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0.370n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine (NE) into rat brain synaptosomes


J Med Chem 27: 943-6 (1984)


Article DOI: 10.1021/jm00374a001
BindingDB Entry DOI: 10.7270/Q2VT1SPH
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50334460
PNG
(((1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicy...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(I)cc1)C(=O)N1CCCC1
Show InChI InChI=1S/C19H25IN2O/c1-21-15-8-9-17(21)18(19(23)22-10-2-3-11-22)16(12-15)13-4-6-14(20)7-5-13/h4-7,15-18H,2-3,8-12H2,1H3/t15-,16+,17+,18-/m0/s1
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0.370n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




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


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


(Rattus norvegicus (rat))
BDBM50006784
PNG
(3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES CC(C)OC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C
Show InChI InChI=1S/C18H24INO2/c1-11(2)22-18(21)17-15(12-4-6-13(19)7-5-12)10-14-8-9-16(17)20(14)3/h4-7,11,14-17H,8-10H2,1-3H3/t14-,15-,16?,17+/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




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


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


(Rattus norvegicus (rat))
BDBM50004167
PNG
((2R,3S)-3-(4-Chloro-phenyl)-2-((E)-2-chloro-vinyl)...)
Show SMILES CN1C2CCC1[C@@H](\C=C\Cl)[C@H](C2)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H19Cl2N/c1-19-13-6-7-16(19)14(8-9-17)15(10-13)11-2-4-12(18)5-3-11/h2-5,8-9,13-16H,6-7,10H2,1H3/b9-8+/t13?,14-,15+,16?/m0/s1
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0.420n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter using [3H]-mazindol as radioligand in rat striatal membranes.


J Med Chem 38: 3086-93 (1995)


Article DOI: 10.1021/jm00016a012
BindingDB Entry DOI: 10.7270/Q2KS6S69
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50156916
PNG
((1R)-3beta-(4-bromophenyl)tropane-2beta-carboxylic...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)N2C
Show InChI InChI=1S/C16H20BrNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12?,13-,14?,15+/m1/s1
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0.420n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN 35428 from DAT in rat striatal membrane


J Med Chem 49: 6621-5 (2006)


Article DOI: 10.1021/jm0603973
BindingDB Entry DOI: 10.7270/Q2CZ36SM
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22167
PNG
(1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)pip...)
Show SMILES C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2
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0.420n/an/an/an/an/an/an/an/a



Wake Forest University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 293: 686-96 (2000)


BindingDB Entry DOI: 10.7270/Q2H993QF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50127384
PNG
(3-(3-Fluoro-4-methyl-phenyl)-8-aza-bicyclo[3.2.1]o...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(C)c(F)c1)N2
Show InChI InChI=1S/C16H20FNO2/c1-9-3-4-10(7-13(9)17)12-8-11-5-6-14(18-11)15(12)16(19)20-2/h3-4,7,11-12,14-15,18H,5-6,8H2,1-2H3/t11-,12-,14?,15?/m1/s1
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0.430n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine binding at norepinephrine transporter was determined


J Med Chem 46: 1775-94 (2003)


Article DOI: 10.1021/jm030092d
BindingDB Entry DOI: 10.7270/Q2FF3T3J
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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0.430n/an/an/an/an/an/an/an/a



Wake Forest University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 293: 686-96 (2000)


BindingDB Entry DOI: 10.7270/Q2H993QF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50168041
PNG
(3-(3-Fluoro-4-methyl-phenyl)-8-aza-bicyclo[3.2.1]o...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)c(F)c1)N2
Show InChI InChI=1S/C16H20FNO2/c1-9-3-4-10(7-13(9)17)12-8-11-5-6-14(18-11)15(12)16(19)20-2/h3-4,7,11-12,14-15,18H,5-6,8H2,1-2H3
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0.430n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from norepinephrine transporter (NET) of rat cerebral cortex


J Med Chem 48: 3852-7 (2005)


Article DOI: 10.1021/jm058164j
BindingDB Entry DOI: 10.7270/Q2M909FV
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50367582
PNG
(CHEMBL1743790)
Show SMILES Clc1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C18H18ClN/c19-14-6-3-5-13(11-14)17-12-20-10-4-9-18(20)16-8-2-1-7-15(16)17/h1-3,5-8,11,17-18H,4,9-10,12H2/t17-,18+/m0/s1
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0.450n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


Article DOI: 10.1021/jm00391a028
BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50155457
PNG
(3-(4-Bromo-phenyl)-8-aza-bicyclo[3.2.1]octane-2-ca...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Br)cc1)N2
Show InChI InChI=1S/C15H18BrNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3
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0.520n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-CIT from dopamine transporter of rat striatal homogenate


Bioorg Med Chem Lett 14: 5635-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.049
BindingDB Entry DOI: 10.7270/Q2RB743J
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50155454
PNG
(3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)OCCOS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H26INO5S/c1-25-18-11-12-21(25)22(20(15-18)16-7-9-17(24)10-8-16)23(26)29-13-14-30-31(27,28)19-5-3-2-4-6-19/h2-10,18,20-22H,11-15H2,1H3
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0.520n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-CIT from dopamine transporter of rat striatal homogenate


Bioorg Med Chem Lett 14: 5635-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.049
BindingDB Entry DOI: 10.7270/Q2RB743J
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50367559
PNG
(CHEMBL1743798)
Show SMILES Fc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2cc(F)ccc12
Show InChI InChI=1S/C18H17F2N/c19-13-5-3-12(4-6-13)17-11-21-9-1-2-18(21)16-10-14(20)7-8-15(16)17/h3-8,10,17-18H,1-2,9,11H2/t17-,18+/m0/s1
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0.550n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


Article DOI: 10.1021/jm00391a028
BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50156056
PNG
(CHEMBL188143 | [4-(4-Chloro-phenyl)-piperidin-3-yl...)
Show SMILES COC(=O)CSCC1CNCCC1c1ccc(Cl)cc1
Show InChI InChI=1S/C15H20ClNO2S/c1-19-15(18)10-20-9-12-8-17-7-6-14(12)11-2-4-13(16)5-3-11/h2-5,12,14,17H,6-10H2,1H3
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0.560n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50155459
PNG
(3-(4-Bromo-phenyl)-8-aza-bicyclo[3.2.1]octane-2-ca...)
Show SMILES FCCOC(=O)C1C2CCC(CC1c1ccc(Br)cc1)N2
Show InChI InChI=1S/C16H19BrFNO2/c17-11-3-1-10(2-4-11)13-9-12-5-6-14(19-12)15(13)16(20)21-8-7-18/h1-4,12-15,19H,5-9H2
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0.570n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-CIT from dopamine transporter of rat striatal homogenate


Bioorg Med Chem Lett 14: 5635-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.049
BindingDB Entry DOI: 10.7270/Q2RB743J
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052170
PNG
((S)-3-(4-Chloro-phenyl)-8-methyl-2-(3-phenyl-[1,2,...)
Show SMILES CN1C2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C22H22ClN3O/c1-26-17-11-12-19(26)20(18(13-17)14-7-9-16(23)10-8-14)22-24-21(25-27-22)15-5-3-2-4-6-15/h2-10,17-20H,11-13H2,1H3/t17?,18?,19?,20-/m0/s1
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0.590n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]dopamine uptake into rat striatal synaptosomes


J Med Chem 39: 2753-63 (1996)


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


(Rattus norvegicus (rat))
BDBM50004169
PNG
((2S,3S)-3-(4-Chloro-phenyl)-8-methyl-2-vinyl-8-aza...)
Show SMILES CN1C2CCC1[C@@H](C=C)[C@H](C2)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H20ClN/c1-3-14-15(11-4-6-12(17)7-5-11)10-13-8-9-16(14)18(13)2/h3-7,13-16H,1,8-10H2,2H3/t13?,14-,15+,16?/m0/s1
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0.590n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter using [3H]-mazindol as radioligand in rat striatal membranes.


J Med Chem 38: 3086-93 (1995)


Article DOI: 10.1021/jm00016a012
BindingDB Entry DOI: 10.7270/Q2KS6S69
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus)
BDBM50028277
PNG
(6-Phenyl-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]iso...)
Show SMILES C1C[C@@H]2N(C1)CC(c1ccccc1)c1ccccc21
Show InChI InChI=1S/C18H19N/c1-2-7-14(8-3-1)17-13-19-12-6-11-18(19)16-10-5-4-9-15(16)17/h1-5,7-10,17-18H,6,11-13H2/t17?,18-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of serotonin (5-HT) uptake into rat brain synaptosomes


J Med Chem 27: 943-6 (1984)


Article DOI: 10.1021/jm00374a001
BindingDB Entry DOI: 10.7270/Q2VT1SPH
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50021874
PNG
(6-Phenyl-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]iso...)
Show SMILES C1C[C@H]2N(C1)C[C@@H](c1ccccc1)c1ccccc21
Show InChI InChI=1S/C18H19N/c1-2-7-14(8-3-1)17-13-19-12-6-11-18(19)16-10-5-4-9-15(16)17/h1-5,7-10,17-18H,6,11-13H2/t17-,18+/m0/s1
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0.600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


Article DOI: 10.1021/jm00391a028
BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50367560
PNG
(CHEMBL1743786)
Show SMILES Clc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccccc1
Show InChI InChI=1S/C18H18ClN/c19-14-8-9-15-16(11-14)18-7-4-10-20(18)12-17(15)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,17-18H,4,7,10,12H2/t17-,18+/m0/s1
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0.620n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


Article DOI: 10.1021/jm00391a028
BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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0.620n/an/an/an/an/an/an/an/a



Wake Forest University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 293: 686-96 (2000)


BindingDB Entry DOI: 10.7270/Q2H993QF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM85419
PNG
(RTI-110)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2
Show InChI InChI=1S/C15H18ClNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3/t11-,12+,13+,14-/m0/s1
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0.620n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




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


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


(Rattus norvegicus (rat))
BDBM50106857
PNG
(3-(4-Iodo-phenyl)-8-aza-bicyclo[3.2.1]octane-2-car...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2
Show InChI InChI=1S/C15H18INO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3
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0.640n/an/an/an/an/an/an/an/a



Yale School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to dopamine transporter (DAT) in rat forebrain tissue


Bioorg Med Chem Lett 14: 2117-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.043
BindingDB Entry DOI: 10.7270/Q2WS8SQK
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50106857
PNG
(3-(4-Iodo-phenyl)-8-aza-bicyclo[3.2.1]octane-2-car...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2
Show InChI InChI=1S/C15H18INO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3
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0.640n/an/an/an/an/an/an/an/a



Alcohol and Drug Abuse Research Center

Curated by ChEMBL


Assay Description
Ability to displace [3H]- beta-CIT from Dopamine transporter in rat striatal homogenate


Bioorg Med Chem Lett 11: 3049-53 (2001)


Article DOI: 10.1016/s0960-894x(01)00626-6
BindingDB Entry DOI: 10.7270/Q23N22PN
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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0.650n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


Article DOI: 10.1021/jm00391a028
BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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0.650n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine (NE) into rat brain synaptosomes


J Med Chem 27: 943-6 (1984)


Article DOI: 10.1021/jm00374a001
BindingDB Entry DOI: 10.7270/Q2VT1SPH
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50041293
PNG
(1-(8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]...)
Show SMILES CCC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C
Show InChI InChI=1S/C21H25NO/c1-3-20(23)21-18(13-17-10-11-19(21)22(17)2)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12,17-19,21H,3,10-11,13H2,1-2H3
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0.650n/an/an/an/an/an/an/an/a



Wake Forest University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 293: 686-96 (2000)


BindingDB Entry DOI: 10.7270/Q2H993QF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50021896
PNG
(6-(3-Methoxy-phenyl)-1,2,3,5,6,10b-hexahydro-pyrro...)
Show SMILES COc1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C19H21NO/c1-21-15-7-4-6-14(12-15)18-13-20-11-5-10-19(20)17-9-3-2-8-16(17)18/h2-4,6-9,12,18-19H,5,10-11,13H2,1H3/t18-,19+/m0/s1
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0.650n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


Article DOI: 10.1021/jm00391a028
BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50032534
PNG
((2S,3S)-3-(4-Chloro-phenyl)-8-methyl-2-((E)-styryl...)
Show SMILES CN1C2CCC1[C@@H](\C=C\c1ccccc1)[C@H](C2)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClN/c1-24-19-12-14-22(24)20(13-7-16-5-3-2-4-6-16)21(15-19)17-8-10-18(23)11-9-17/h2-11,13,19-22H,12,14-15H2,1H3/b13-7+/t19?,20-,21+,22?/m0/s1
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0.660n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine binding to rat striatal synaptosome dopamine transporter


J Med Chem 38: 3086-93 (1995)


Article DOI: 10.1021/jm00016a012
BindingDB Entry DOI: 10.7270/Q2KS6S69
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50021900
PNG
(6-(3,4-Dichloro-phenyl)-1,2,3,5,6,10b-hexahydro-py...)
Show SMILES Clc1ccc(cc1Cl)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C18H17Cl2N/c19-16-8-7-12(10-17(16)20)15-11-21-9-3-6-18(21)14-5-2-1-4-13(14)15/h1-2,4-5,7-8,10,15,18H,3,6,9,11H2/t15-,18+/m0/s1
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0.680n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


Article DOI: 10.1021/jm00391a028
BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50028276
PNG
(6-(3,4-Dichloro-phenyl)-1,2,3,5,6,10b-hexahydro-py...)
Show SMILES Clc1ccc(cc1Cl)C1CN2CCC[C@H]2c2ccccc12
Show InChI InChI=1S/C18H17Cl2N/c19-16-8-7-12(10-17(16)20)15-11-21-9-3-6-18(21)14-5-2-1-4-13(14)15/h1-2,4-5,7-8,10,15,18H,3,6,9,11H2/t15?,18-/m0/s1
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0.680n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine (NE) into rat brain synaptosomes


J Med Chem 27: 943-6 (1984)


Article DOI: 10.1021/jm00374a001
BindingDB Entry DOI: 10.7270/Q2VT1SPH
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50156052
PNG
(2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmeth...)
Show SMILES CN1CCC(C(CSCC(=O)N2CCCCC2)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H29ClN2OS/c1-22-12-9-19(16-5-7-18(21)8-6-16)17(13-22)14-25-15-20(24)23-10-3-2-4-11-23/h5-8,17,19H,2-4,9-15H2,1H3
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0.680n/an/an/an/an/an/an/an/a



Acenta Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand


J Med Chem 47: 5821-4 (2004)


Article DOI: 10.1021/jm040117o
BindingDB Entry DOI: 10.7270/Q2Q81DVF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50041604
PNG
(3-(4-Chloro-phenyl)-8-((E)-3-iodo-allyl)-8-aza-bic...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C\C=C\I
Show InChI InChI=1S/C18H21ClINO2/c1-23-18(22)17-15(12-3-5-13(19)6-4-12)11-14-7-8-16(17)21(14)10-2-9-20/h2-6,9,14-17H,7-8,10-11H2,1H3/b9-2+
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0.690n/an/an/an/an/an/an/an/a



University of Tennessee Medical Center at Knoxville 37920.

Curated by ChEMBL


Assay Description
Inhibitory constant towards reuptake of [125I]-12 from dopamine transporter in rat striatal membranes


J Med Chem 37: 1535-42 (1994)


Article DOI: 10.1021/jm00036a020
BindingDB Entry DOI: 10.7270/Q2SX6DVH
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50057628
PNG
((2S,8R)-3-(3,4-Dichloro-phenyl)-8-((E)-3-iodo-ally...)
Show SMILES COC(=O)[C@@H]1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C\C=C\I
Show InChI InChI=1S/C18H20Cl2INO2/c1-24-18(23)17-13(11-3-5-14(19)15(20)9-11)10-12-4-6-16(17)22(12)8-2-7-21/h2-3,5,7,9,12-13,16-17H,4,6,8,10H2,1H3/b7-2+/t12?,13?,16?,17-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



INSERM U316

Curated by PDSP Ki Database




J Pharmacol Exp Ther 282: 467-74 (1997)


BindingDB Entry DOI: 10.7270/Q2X928VC
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes


Bioorg Med Chem Lett 8: 487-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00062-6
BindingDB Entry DOI: 10.7270/Q2F76D26
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50056569
PNG
(2-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperaz...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(Cc2cc3ccccc3[nH]2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H29F2N3O/c29-24-9-5-21(6-10-24)28(22-7-11-25(30)12-8-22)34-18-17-32-13-15-33(16-14-32)20-26-19-23-3-1-2-4-27(23)31-26/h1-12,19,28,31H,13-18,20H2
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0.700n/an/an/an/an/an/an/an/a



University Heights

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from DAT in rat brain synaptosomes


Bioorg Med Chem 15: 1146-59 (2006)


Article DOI: 10.1016/j.bmc.2006.09.070
BindingDB Entry DOI: 10.7270/Q2M61JXC
More data for this
Ligand-Target Pair
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