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Compile Data Set for Download or QSAR

Found 4802 hits of affinity data for UniProtKB/TrEMBL: P23977   
Target
(Institution)
LigandTarget
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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PubMed
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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50118599
PNG
(4-(2-(bis(4-fluorophenyl)methoxy)ethyl)-1-(naphtha...)
Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C31H31F2NO/c32-29-11-7-26(8-12-29)31(27-9-13-30(33)14-10-27)35-20-17-23-15-18-34(19-16-23)22-24-5-6-25-3-1-2-4-28(25)21-24/h1-14,21,23,31H,15-20,22H2
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0.700n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity at rat dopamine transporter using [125I]-RTI-55 displacement.


J Med Chem 46: 1465-9 (2003)

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)

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50118599
PNG
(4-(2-(bis(4-fluorophenyl)methoxy)ethyl)-1-(naphtha...)
Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C31H31F2NO/c32-29-11-7-26(8-12-29)31(27-9-13-30(33)14-10-27)35-20-17-23-15-18-34(19-16-23)22-24-5-6-25-3-1-2-4-28(25)21-24/h1-14,21,23,31H,15-20,22H2
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0.710n/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)

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50155452
PNG
(3-(4-Bromo-phenyl)-8-aza-bicyclo[3.2.1]octane-2-ca...)
Show SMILES FCCCOC(=O)C1C2CCC(CC1c1ccc(Br)cc1)N2
Show InChI InChI=1S/C17H21BrFNO2/c18-12-4-2-11(3-5-12)14-10-13-6-7-15(20-13)16(14)17(21)22-9-1-8-19/h2-5,13-16,20H,1,6-10H2
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0.720n/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)

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50118600
PNG
(2-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperid...)
Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2cc3ccccc3[nH]2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C29H30F2N2O/c30-25-9-5-22(6-10-25)29(23-7-11-26(31)12-8-23)34-18-15-21-13-16-33(17-14-21)20-27-19-24-3-1-2-4-28(24)32-27/h1-12,19,21,29,32H,13-18,20H2
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0.730n/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)

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50021895
PNG
(4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...)
Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3
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0.740n/an/an/an/an/an/an/an/a



Lundbeck AIS

Curated by PDSP Ki Database




J Neurochem 44: 1615-22 (1985)

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22170
PNG
((2S)-1-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}pip...)
Show SMILES O[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H32F2N2O2/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2/t27-/m0/s1
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0.75 -48.4n/an/an/an/an/a7.44



National Taiwan University



Assay Description
The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...


J Med Chem 51: 2795-806 (2008)

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50123395
PNG
((S)-1-(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}...)
Show SMILES O[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H32F2N2O2/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2/t27-/m0/s1
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0.75n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporter (DAT)


Bioorg Med Chem Lett 13: 553-6 (2003)

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22170
PNG
((2S)-1-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}pip...)
Show SMILES O[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H32F2N2O2/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2/t27-/m0/s1
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0.75n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporter


J Med Chem 45: 1321-9 (2002)

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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0.760n/an/an/an/an/an/an/an/a



Wake Forest University

Curated by PDSP Ki Database




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

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50101075
PNG
((2S,3S)-3-(3,4-Dichloro-phenyl)-2-methoxycarbonyl-...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3/t10?,11-,14?,15+/m1/s1
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0.790n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




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

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50349799
PNG
(CHEMBL1812745 | RTI-112)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2C
Show InChI InChI=1S/C17H22ClNO2/c1-10-8-11(4-6-14(10)18)13-9-12-5-7-15(19(12)2)16(13)17(20)21-3/h4,6,8,12-13,15-16H,5,7,9H2,1-3H3/t12-,13+,15+,16-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




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

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50183539
PNG
(CHEMBL381256 | CHEMBL429492 | trans-(R,R)-4-[2-[bi...)
Show SMILES Fc1ccc(cc1)C(OCCC1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C30H33F2NO/c31-27-10-6-24(7-11-27)30(25-8-12-28(32)13-9-25)34-19-16-22-14-17-33(18-15-22)21-26-20-29(26)23-4-2-1-3-5-23/h1-13,22,26,29-30H,14-21H2/t26-,29-/m0/s1
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0.800n/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)

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22166
PNG
(3-(4-iodophenyl)tropane-2-carboxylic acid methyl e...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(I)cc1)N2C
Show InChI InChI=1S/C16H20INO2/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-/m0/s1
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0.830n/an/an/an/an/an/an/an/a



NIH

Curated by PDSP Ki Database




Synapse 39: 32-41 (2001)

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50035738
PNG
((R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C
Show InChI InChI=1S/C16H20ClNO2/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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0.830n/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)

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50032538
PNG
((2S,3S)-2-Butyl-3-(4-chloro-phenyl)-8-methyl-8-aza...)
Show SMILES CCCC[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C
Show InChI InChI=1S/C18H26ClN/c1-3-4-5-16-17(13-6-8-14(19)9-7-13)12-15-10-11-18(16)20(15)2/h6-9,15-18H,3-5,10-12H2,1-2H3/t15?,16-,17+,18?/m0/s1
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0.840n/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)

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50155461
PNG
(3-(4-Iodo-phenyl)-8-aza-bicyclo[3.2.1]octane-2-car...)
Show SMILES FCCOC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2
Show InChI InChI=1S/C16H19FINO2/c17-7-8-21-16(20)15-13(9-12-5-6-14(15)19-12)10-1-3-11(18)4-2-10/h1-4,12-15,19H,5-9H2
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0.850n/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)

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
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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0.860n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50452190
PNG
(CHEMBL2093944)
Show SMILES Br.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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0.860n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dopamine (DA) uptake into rat brain synaptosomes


J Med Chem 27: 943-6 (1984)

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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0.880n/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)

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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0.880n/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)

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22199
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2E)-3-...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H30F2N2O/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/h1-15,28H,16-22H2/b7-4+
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0.900n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at dopamine transporter in rat brain by [3H]WIN-35428 displacement.


J Med Chem 47: 3388-98 (2004)

More data for this
Ligand-Target Pair
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