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Compile Data Set for Download or QSAR

Found 6629 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))
BDBM50051753
PNG
(1-(3-Naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct-2-yl)...)
Show SMILES CCC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2
Show InChI InChI=1S/C20H23NO/c1-2-19(22)20-17(12-16-9-10-18(20)21-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-18,20-21H,2,9-10,12H2,1H3
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n/an/a 0.0300n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity in displacing [125I]- RTI-55 binding to dopamine transporter in rat striatal membranes


J Med Chem 44: 1509-15 (2001)


Article DOI: 10.1021/jm000363+
BindingDB Entry DOI: 10.7270/Q2H1318R
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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n/an/a 0.0430n/an/an/an/an/an/a



Wake Forest University

Curated by ChEMBL


Assay Description
Inhibition of [125I]RTI-55 binding to dopamine transport sites in rat striatal membranes.


J Med Chem 37: 1262-8 (1994)


Article DOI: 10.1021/jm00035a005
BindingDB Entry DOI: 10.7270/Q2TH8NBM
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50111889
PNG
(1-[3-(3-Chloro-4-iodo-phenyl)-8-methyl-8-aza-bicyc...)
Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(I)c(Cl)c1)N2C
Show InChI InChI=1S/C17H21ClINO/c1-3-16(21)17-12(9-11-5-7-15(17)20(11)2)10-4-6-14(19)13(18)8-10/h4,6,8,11-12,15,17H,3,5,7,9H2,1-2H3
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n/an/a 0.0770n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Tested for the ability to displace [125I]- RTI-55 binding in rat striatal membrane against dopamine transporter


Bioorg Med Chem Lett 12: 845-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00048-3
BindingDB Entry DOI: 10.7270/Q25M6515
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50111893
PNG
(1-[3-(3-Chloro-4-iodo-phenyl)-8-aza-bicyclo[3.2.1]...)
Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(I)c(Cl)c1)N2
Show InChI InChI=1S/C16H19ClINO/c1-2-15(20)16-11(8-10-4-6-14(16)19-10)9-3-5-13(18)12(17)7-9/h3,5,7,10-11,14,16,19H,2,4,6,8H2,1H3
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n/an/a 0.0850n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Tested for the ability to displace [125I]- RTI-55 binding in rat striatal membrane against dopamine transporter


Bioorg Med Chem Lett 12: 845-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00048-3
BindingDB Entry DOI: 10.7270/Q25M6515
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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n/an/a 0.120n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity in displacing [125I]- RTI-55 binding to dopamine transporter in rat striatal membranes


J Med Chem 44: 1509-15 (2001)


Article DOI: 10.1021/jm000363+
BindingDB Entry DOI: 10.7270/Q2H1318R
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50021227
PNG
(CHEMBL544971 | [3-(3,4-Dichloro-phenyl)-6-fluoro-i...)
Show SMILES CNC1CC(c2ccc(F)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H14Cl2FN/c1-20-16-8-12(9-2-5-14(17)15(18)6-9)11-4-3-10(19)7-13(11)16/h2-7,12,16,20H,8H2,1H3
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n/an/a 0.120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


Article DOI: 10.1021/jm00150a012
BindingDB Entry DOI: 10.7270/Q29W0G1M
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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n/an/a 0.120n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from dopamine transporter of rat brain membranes


J Med Chem 39: 2554-8 (1996)


Article DOI: 10.1021/jm9600508
BindingDB Entry DOI: 10.7270/Q2V69HP1
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus)
BDBM50021243
PNG
(CHEMBL544500 | [3-(3-Chloro-phenyl)-indan-1-yl]-me...)
Show SMILES CNC1CC(c2ccccc12)c1cccc(Cl)c1
Show InChI InChI=1S/C16H16ClN/c1-18-16-10-15(11-5-4-6-12(17)9-11)13-7-2-3-8-14(13)16/h2-9,15-16,18H,10H2,1H3
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n/an/a 0.120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


Article DOI: 10.1021/jm00150a012
BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50099235
PNG
(1-[3-(6-Methoxy-naphthalen-2-yl)-8-methyl-8-aza-bi...)
Show SMILES CCC(=O)C1C2CCC(CC1c1ccc3cc(OC)ccc3c1)N2C
Show InChI InChI=1S/C22H27NO2/c1-4-21(24)22-19(13-17-8-10-20(22)23(17)2)16-6-5-15-12-18(25-3)9-7-14(15)11-16/h5-7,9,11-12,17,19-20,22H,4,8,10,13H2,1-3H3
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n/an/a 0.130n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity in displacing [125I]- RTI-55 binding to dopamine transporter in rat striatal membranes


J Med Chem 44: 1509-15 (2001)


Article DOI: 10.1021/jm000363+
BindingDB Entry DOI: 10.7270/Q2H1318R
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50099227
PNG
(1-[3-(6-Ethyl-naphthalen-2-yl)-8-methyl-8-aza-bicy...)
Show SMILES CCC(=O)C1C2CCC(CC1c1ccc3cc(CC)ccc3c1)N2C
Show InChI InChI=1S/C23H29NO/c1-4-15-6-7-17-13-18(9-8-16(17)12-15)20-14-19-10-11-21(24(19)3)23(20)22(25)5-2/h6-9,12-13,19-21,23H,4-5,10-11,14H2,1-3H3
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n/an/a 0.150n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity in displacing [125I]- RTI-55 binding to dopamine transporter in rat striatal membranes


J Med Chem 44: 1509-15 (2001)


Article DOI: 10.1021/jm000363+
BindingDB Entry DOI: 10.7270/Q2H1318R
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50021226
PNG
(CHEMBL296602 | Indatraline | [3-(3,4-Dichloro-phen...)
Show SMILES CNC1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3
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n/an/a 0.170n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


Article DOI: 10.1021/jm00150a012
BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50099225
PNG
(2-Methyl-1-(8-methyl-3-naphthalen-2-yl-8-aza-bicyc...)
Show SMILES CC(C)C(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C
Show InChI InChI=1S/C22H27NO/c1-14(2)22(24)21-19(13-18-10-11-20(21)23(18)3)17-9-8-15-6-4-5-7-16(15)12-17/h4-9,12,14,18-21H,10-11,13H2,1-3H3
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n/an/a 0.25n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity in displacing [125I]- RTI-55 binding to dopamine transporter in rat striatal membranes


J Med Chem 44: 1509-15 (2001)


Article DOI: 10.1021/jm000363+
BindingDB Entry DOI: 10.7270/Q2H1318R
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50021226
PNG
(CHEMBL296602 | Indatraline | [3-(3,4-Dichloro-phen...)
Show SMILES CNC1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3
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n/an/a 0.260n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


Article DOI: 10.1021/jm00150a012
BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50055014
PNG
(7-(3,4-Dichloro-phenyl)-2,4,5,7-tetrahydro-3H-[1,3...)
Show SMILES OC1(N2CCCCN=C2c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H16Cl2N2O/c19-15-8-7-12(11-16(15)20)18(23)14-6-2-1-5-13(14)17-21-9-3-4-10-22(17)18/h1-2,5-8,11,23H,3-4,9-10H2
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n/an/a 0.260n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-dopamine uptake at the dopamine transporter in rat striatal tissue


J Med Chem 39: 4935-41 (1997)


Article DOI: 10.1021/jm960288w
BindingDB Entry DOI: 10.7270/Q2ZK5FSR
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50041304
PNG
(1-(8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]...)
Show SMILES CN1C2CCC1C(C(C2)c1ccc2ccccc2c1)C(C)=O
Show InChI InChI=1S/C20H23NO/c1-13(22)20-18(12-17-9-10-19(20)21(17)2)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,17-20H,9-10,12H2,1-2H3
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n/an/a 0.280n/an/an/an/an/an/a



Wake Forest University

Curated by ChEMBL


Assay Description
Inhibition of [125I]RTI-55 binding to dopamine transport sites in rat striatal membranes.


J Med Chem 37: 1262-8 (1994)


Article DOI: 10.1021/jm00035a005
BindingDB Entry DOI: 10.7270/Q2TH8NBM
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50043303
PNG
((1-Benzo[b]thiophen-2-yl-cyclohexyl)-butyl-amine |...)
Show SMILES CCCCNC1(CCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C18H25NS/c1-2-3-13-19-18(11-7-4-8-12-18)17-14-15-9-5-6-10-16(15)20-17/h5-6,9-10,14,19H,2-4,7-8,11-13H2,1H3
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n/an/a 0.300n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for radioligand [3H]BTCP displacement from dopamine transporter in rat forebrain


J Med Chem 36: 4075-81 (1994)


Article DOI: 10.1021/jm00077a011
BindingDB Entry DOI: 10.7270/Q2KK9CFJ
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus)
BDBM50026953
PNG
((cis) 3-{4-[3-(3,4-Dichloro-phenyl)-indan-1-yl]-pi...)
Show SMILES OCCCN1CCN(CC1)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H26Cl2N2O/c23-20-7-6-16(14-21(20)24)19-15-22(18-5-2-1-4-17(18)19)26-11-9-25(10-12-26)8-3-13-27/h1-2,4-7,14,19,22,27H,3,8-13,15H2
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n/an/a 0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of Noradrenaline (NA)


J Med Chem 26: 935-47 (1983)


Article DOI: 10.1021/jm00361a002
BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50021208
PNG
(CHEMBL545671 | [3-(4-Bromo-phenyl)-indan-1-yl]-met...)
Show SMILES CNC1CC(c2ccccc12)c1ccc(Br)cc1
Show InChI InChI=1S/C16H16BrN/c1-18-16-10-15(11-6-8-12(17)9-7-11)13-4-2-3-5-14(13)16/h2-9,15-16,18H,10H2,1H3
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n/an/a 0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


Article DOI: 10.1021/jm00150a012
BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus)
BDBM50021230
PNG
(CHEMBL545201 | [3-(3,4-Dichloro-phenyl)-indan-1-yl...)
Show SMILES CCNC1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2N/c1-2-20-17-10-14(12-5-3-4-6-13(12)17)11-7-8-15(18)16(19)9-11/h3-9,14,17,20H,2,10H2,1H3
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n/an/a 0.320n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


Article DOI: 10.1021/jm00150a012
BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50099228
PNG
(1-[3-(6-Iodo-naphthalen-2-yl)-8-methyl-8-aza-bicyc...)
Show SMILES CCC(=O)C1C2CCC(CC1c1ccc3cc(I)ccc3c1)N2C
Show InChI InChI=1S/C21H24INO/c1-3-20(24)21-18(12-17-8-9-19(21)23(17)2)15-5-4-14-11-16(22)7-6-13(14)10-15/h4-7,10-11,17-19,21H,3,8-9,12H2,1-2H3
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n/an/a 0.350n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity in displacing [125I]- RTI-55 binding to dopamine transporter in rat striatal membranes


J Med Chem 44: 1509-15 (2001)


Article DOI: 10.1021/jm000363+
BindingDB Entry DOI: 10.7270/Q2H1318R
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50035734
PNG
(CHEMBL1643896 | RTI-229 | [3-(4-Iodo-phenyl)-8-met...)
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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n/an/a 0.370n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding at dopamine 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))
BDBM50035734
PNG
(CHEMBL1643896 | RTI-229 | [3-(4-Iodo-phenyl)-8-met...)
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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n/an/a 0.370n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at the Dopamine transporter in rat striata by inhibition of 0.5 nM [3H]WIN-35428 binding


J Med Chem 38: 379-88 (1995)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50111888
PNG
(1-[3-(3-Fluoro-4-iodo-phenyl)-8-methyl-8-aza-bicyc...)
Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(I)c(F)c1)N2C
Show InChI InChI=1S/C17H21FINO/c1-3-16(21)17-12(9-11-5-7-15(17)20(11)2)10-4-6-14(19)13(18)8-10/h4,6,8,11-12,15,17H,3,5,7,9H2,1-2H3
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n/an/a 0.380n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Tested for the ability to displace [125I]- RTI-55 binding in rat striatal membrane against dopamine transporter


Bioorg Med Chem Lett 12: 845-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00048-3
BindingDB Entry DOI: 10.7270/Q25M6515
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50099233
PNG
(1-[3-(6-Isopropyl-naphthalen-2-yl)-8-methyl-8-aza-...)
Show SMILES CCC(=O)C1C2CCC(CC1c1ccc3cc(ccc3c1)C(C)C)N2C
Show InChI InChI=1S/C24H31NO/c1-5-23(26)24-21(14-20-10-11-22(24)25(20)4)19-9-8-17-12-16(15(2)3)6-7-18(17)13-19/h6-9,12-13,15,20-22,24H,5,10-11,14H2,1-4H3
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n/an/a 0.390n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity in displacing [125I]- RTI-55 binding to dopamine transporter in rat striatal membranes


J Med Chem 44: 1509-15 (2001)


Article DOI: 10.1021/jm000363+
BindingDB Entry DOI: 10.7270/Q2H1318R
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50035725
PNG
(3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(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
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n/an/a 0.430n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at the Dopamine transporter in rat striata by inhibition of 0.5 nM [3H]WIN-35428 binding


J Med Chem 38: 379-88 (1995)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
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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n/an/a 0.430n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to dopamine (DA) transporter


J Med Chem 37: 1220-3 (1994)


Article DOI: 10.1021/jm00034a021
BindingDB Entry DOI: 10.7270/Q2Z60PQ2
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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n/an/a 0.430n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428l binding to Dopamine transporter


J Med Chem 35: 2497-500 (1992)


Article DOI: 10.1021/jm00091a019
BindingDB Entry DOI: 10.7270/Q2736RJC
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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n/an/a 0.430n/an/an/an/an/an/a



Wake Forest University Health Sciences

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 dopamine transporter binding in rat striatal membrane


Bioorg Med Chem Lett 15: 4915-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.028
BindingDB Entry DOI: 10.7270/Q2H41S7P
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50099223
PNG
(1-[3-(7-Iodo-naphthalen-2-yl)-8-methyl-8-aza-bicyc...)
Show SMILES CCC(=O)C1C2CCC(CC1c1ccc3ccc(I)cc3c1)N2C
Show InChI InChI=1S/C21H24INO/c1-3-20(24)21-18(12-17-8-9-19(21)23(17)2)14-5-4-13-6-7-16(22)11-15(13)10-14/h4-7,10-11,17-19,21H,3,8-9,12H2,1-2H3
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n/an/a 0.450n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity in displacing [125I]- RTI-55 binding to dopamine transporter in rat striatal membranes


J Med Chem 44: 1509-15 (2001)


Article DOI: 10.1021/jm000363+
BindingDB Entry DOI: 10.7270/Q2H1318R
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50125902
PNG
((1S,4R)-4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benz...)
Show SMILES OC1CN(Cc2ccc(F)cc2)CC[C@@H]1CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H30FNO2/c28-25-13-11-21(12-14-25)19-29-17-15-22(26(30)20-29)16-18-31-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,22,26-27,30H,15-20H2/t22-,26?/m1/s1
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n/an/a 0.460n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter in rat striatum using [3H]WIN-35 428 as radioligand


J Med Chem 46: 1220-8 (2003)


Article DOI: 10.1021/jm020275k
BindingDB Entry DOI: 10.7270/Q2CZ37XT
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50138651
PNG
(3-(4-Chloro-phenyl)-2-(3-ethyl-isoxazol-5-yl)-8-me...)
Show SMILES CCc1cc(on1)C1C2CCC(CC1c1ccc(Cl)cc1)N2C
Show InChI InChI=1S/C19H23ClN2O/c1-3-14-10-18(23-21-14)19-16(12-4-6-13(20)7-5-12)11-15-8-9-17(19)22(15)2/h4-7,10,15-17,19H,3,8-9,11H2,1-2H3
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n/an/a 0.5n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit dopamine transporter DAT was determined by using [3H]WIN-35428 radioligand


J Med Chem 47: 296-302 (2004)


Article DOI: 10.1021/jm030453p
BindingDB Entry DOI: 10.7270/Q2VT1SVR
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus)
BDBM50021235
PNG
(CHEMBL51224 | CHEMBL554756 | [3-(4-Chloro-phenyl)-...)
Show SMILES CNC1CC(c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H16ClN/c1-18-16-10-15(11-6-8-12(17)9-7-11)13-4-2-3-5-14(13)16/h2-9,15-16,18H,10H2,1H3
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n/an/a 0.510n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


Article DOI: 10.1021/jm00150a012
BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50021213
PNG
(1-(3,4-Dichloro-phenyl)-3-methylamino-indan-5-ol |...)
Show SMILES CNC1CC(c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H15Cl2NO/c1-19-16-8-12(9-2-5-14(17)15(18)6-9)11-4-3-10(20)7-13(11)16/h2-7,12,16,19-20H,8H2,1H3
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n/an/a 0.520n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-HT uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


Article DOI: 10.1021/jm00150a012
BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50021220
PNG
(CHEMBL555549 | [3-(3,4-Dichloro-phenyl)-indan-1-yl...)
Show SMILES CCN(CC)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H21Cl2N/c1-3-22(4-2)19-12-16(14-7-5-6-8-15(14)19)13-9-10-17(20)18(21)11-13/h5-11,16,19H,3-4,12H2,1-2H3
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n/an/a 0.560n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


Article DOI: 10.1021/jm00150a012
BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50138654
PNG
(3-(4-Chloro-phenyl)-8-methyl-2-(3-methyl-isoxazol-...)
Show SMILES CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1cc(C)no1
Show InChI InChI=1S/C18H21ClN2O/c1-11-9-17(22-20-11)18-15(12-3-5-13(19)6-4-12)10-14-7-8-16(18)21(14)2/h3-6,9,14-16,18H,7-8,10H2,1-2H3
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n/an/a 0.590n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit dopamine transporter DAT was determined by using [3H]WIN-35428 radioligand


J Med Chem 47: 296-302 (2004)


Article DOI: 10.1021/jm030453p
BindingDB Entry DOI: 10.7270/Q2VT1SVR
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052158
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-2-(3-methyl-i...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1cc(C)no1
Show InChI InChI=1S/C18H21ClN2O/c1-11-9-17(22-20-11)18-15(12-3-5-13(19)6-4-12)10-14-7-8-16(18)21(14)2/h3-6,9,14-16,18H,7-8,10H2,1-2H3/t14-,15?,16?,18+/m1/s1
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n/an/a 0.590n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum


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
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus)
BDBM50021226
PNG
(CHEMBL296602 | Indatraline | [3-(3,4-Dichloro-phen...)
Show SMILES CNC1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3
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n/an/a 0.600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


Article DOI: 10.1021/jm00150a012
BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50054754
PNG
(1-(2-Benzhydryloxy-ethyl)-4-((E)-3-phenyl-allyl)-[...)
Show SMILES C(CN1CCCN(C\C=C\c2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H34N2O/c1-4-12-26(13-5-1)14-10-19-30-20-11-21-31(23-22-30)24-25-32-29(27-15-6-2-7-16-27)28-17-8-3-9-18-28/h1-10,12-18,29H,11,19-25H2/b14-10+
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n/an/a 0.600n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of dopamine DA reuptake


J Med Chem 39: 4704-16 (1997)


Article DOI: 10.1021/jm960305h
BindingDB Entry DOI: 10.7270/Q2QZ2BN6
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50035747
PNG
(3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)OC1CC1
Show InChI InChI=1S/C18H22INO2/c1-20-13-6-9-16(20)17(18(21)22-14-7-8-14)15(10-13)11-2-4-12(19)5-3-11/h2-5,13-17H,6-10H2,1H3
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n/an/a 0.610n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at the Dopamine transporter in rat striata by inhibition of 0.5 nM [3H]WIN-35428 binding


J Med Chem 38: 379-88 (1995)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50046732
PNG
((R)-3-(4-Chloro-phenyl)-8-aza-bicyclo[3.2.1]octane...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(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
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n/an/a 0.620n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to rat striatal dopamine transporter


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
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50046732
PNG
((R)-3-(4-Chloro-phenyl)-8-aza-bicyclo[3.2.1]octane...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(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
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n/an/a 0.620n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against radioligand [3H]-WN 35,428 binding to dopamine transporter (DAT) in rat striatal tissue


J Med Chem 40: 3861-4 (1998)


Article DOI: 10.1021/jm970492z
BindingDB Entry DOI: 10.7270/Q2GX4C7G
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50046732
PNG
((R)-3-(4-Chloro-phenyl)-8-aza-bicyclo[3.2.1]octane...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(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
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n/an/a 0.620n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of 0.2 nM [3H]paroxetine binding to Serotonin transporter


Bioorg Med Chem Lett 10: 2445-7 (2001)


Article DOI: 10.1016/s0960-894x(00)00480-7
BindingDB Entry DOI: 10.7270/Q2474BCV
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50041282
PNG
((3S,8R)-3-(4-Chloro-phenyl)-8-aza-bicyclo[3.2.1]oc...)
Show SMILES COC(=O)C1C2CCC(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?/m1/s1
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n/an/a 0.620n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to dopamine (DA) transporter


J Med Chem 37: 1220-3 (1994)


Article DOI: 10.1021/jm00034a021
BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50005534
PNG
(1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)piperidine ...)
Show SMILES C1CCN(CC1)C1(CCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C19H25NS/c1-5-11-19(12-6-1,20-13-7-2-8-14-20)18-15-16-9-3-4-10-17(16)21-18/h3-4,9-10,15H,1-2,5-8,11-14H2
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PubMed
n/an/a 0.660n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]BTCP (1-[1-(2-benxo[b]thienyl)cyclohexyl]piperidine) from rat forebrain dopamine transporter


J Med Chem 36: 1188-93 (1993)


Article DOI: 10.1021/jm00061a009
BindingDB Entry DOI: 10.7270/Q23F4Q98
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50021242
PNG
(CHEMBL553590 | [3-(3,4-Dichloro-phenyl)-indan-1-yl...)
Show SMILES CCCNC1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H19Cl2N/c1-2-9-21-18-11-15(13-5-3-4-6-14(13)18)12-7-8-16(19)17(20)10-12/h3-8,10,15,18,21H,2,9,11H2,1H3
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n/an/a 0.660n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


Article DOI: 10.1021/jm00150a012
BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50021214
PNG
(CHEMBL300019 | CHEMBL537996 | [3-(3,4-Dichloro-phe...)
Show SMILES CNC1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17/h3-8,13,17,20H,9H2,1-2H3
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n/an/a 0.670n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


Article DOI: 10.1021/jm00150a012
BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50453639
PNG
(CHEMBL2112889)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(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/t11-,12-,13?,14+/m1/s1
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n/an/a 0.690n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to dopamine (DA) transporter


J Med Chem 37: 1220-3 (1994)


Article DOI: 10.1021/jm00034a021
BindingDB Entry DOI: 10.7270/Q2Z60PQ2
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50054726
PNG
(CHEMBL423372 | [(S)-1-(2-Benzhydryloxy-ethyl)-pyrr...)
Show SMILES C(CNC[C@@H]1CCCN1CCOC(c1ccccc1)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C29H36N2O/c1-4-12-25(13-5-1)14-10-20-30-24-28-19-11-21-31(28)22-23-32-29(26-15-6-2-7-16-26)27-17-8-3-9-18-27/h1-9,12-13,15-18,28-30H,10-11,14,19-24H2/t28-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of dopamine DA reuptake


J Med Chem 39: 4704-16 (1997)


Article DOI: 10.1021/jm960305h
BindingDB Entry DOI: 10.7270/Q2QZ2BN6
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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n/an/a 0.700n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity at the dopamine transporter using [125I]-RTI-55 in rat caudate membranes.


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus)
BDBM50021227
PNG
(CHEMBL544971 | [3-(3,4-Dichloro-phenyl)-6-fluoro-i...)
Show SMILES CNC1CC(c2ccc(F)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H14Cl2FN/c1-20-16-8-12(9-2-5-14(17)15(18)6-9)11-4-3-10(19)7-13(11)16/h2-7,12,16,20H,8H2,1H3
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n/an/a 0.710n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


Article DOI: 10.1021/jm00150a012
BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
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