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Compile Data Set for Download or QSAR

Found 3658 hits Enz. Inhib. hit(s) with Target = 'Dopamine Transporter (DAT)'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM22418
PNG
(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)N2C
Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1
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Article
PubMed
371 -36.3n/an/a 303n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM30128
PNG
(phthalazinone, 21)
Show SMILES COc1ccc(F)c(CCC2CCC(CCNCCCCCN3N=C(C4CC=CCC4C3=O)c3ccc(OC)c(OC)c3)O2)c1
Show InChI InChI=1S/C36H48FN3O5/c1-42-29-16-17-32(37)25(23-29)11-13-27-14-15-28(45-27)19-21-38-20-7-4-8-22-40-36(41)31-10-6-5-9-30(31)35(39-40)26-12-18-33(43-2)34(24-26)44-3/h5-6,12,16-18,23-24,27-28,30-31,38H,4,7-11,13-15,19-22H2,1-3H3
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PubMed
2.48E+3 -31.7n/an/a 3.56E+3n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM30129
PNG
(phthalazinone, 22)
Show SMILES COc1ccc(F)c(CCCC2CCC(CCNCCCCCN3N=C(C4CC=CCC4C3=O)c3ccc(OC)c(OC)c3)O2)c1
Show InChI InChI=1S/C37H50FN3O5/c1-43-30-17-18-33(38)26(24-30)10-9-11-28-15-16-29(46-28)20-22-39-21-7-4-8-23-41-37(42)32-13-6-5-12-31(32)36(40-41)27-14-19-34(44-2)35(25-27)45-3/h5-6,14,17-19,24-25,28-29,31-32,39H,4,7-13,15-16,20-23H2,1-3H3
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PubMed
5.34E+3 -29.8n/an/a 5.34E+3n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM30131
PNG
(tetrahydrofuranyl ethylamine, 14)
Show SMILES COc1ccc(F)cc1CCC1CCC(CCN)O1
Show InChI InChI=1S/C15H22FNO2/c1-18-15-7-3-12(16)10-11(15)2-4-13-5-6-14(19-13)8-9-17/h3,7,10,13-14H,2,4-6,8-9,17H2,1H3
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PubMed
6.50E+3 -29.3n/an/a 2.79E+4n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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PubMed
6.67E+3 -29.2n/an/a 1.95E+4n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM30132
PNG
(CHEMBL450907 | tetrahydrofuranyl ethylamine, 15)
Show SMILES COc1ccc(F)cc1CCCC1CCC(CCN)O1
Show InChI InChI=1S/C16H24FNO2/c1-19-16-8-5-13(17)11-12(16)3-2-4-14-6-7-15(20-14)9-10-18/h5,8,11,14-15H,2-4,6-7,9-10,18H2,1H3
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PubMed
7.31E+3 -29.0n/an/a 1.70E+4n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM30133
PNG
(tetrahydrofuranyl ethylamine, 24)
Show SMILES CNCCC1CCC(CCc2cc(F)ccc2OC)O1
Show InChI InChI=1S/C16H24FNO2/c1-18-10-9-15-7-6-14(20-15)5-3-12-11-13(17)4-8-16(12)19-2/h4,8,11,14-15,18H,3,5-7,9-10H2,1-2H3
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PubMed
6.70E+4 -23.6n/an/a>1.00E+5n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM30127
PNG
(CHEMBL480988 | phthalazinone, 20)
Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCBr)C(=O)C2CC=CCC12
Show InChI InChI=1S/C21H27BrN2O3/c1-26-18-11-10-15(14-19(18)27-2)20-16-8-4-5-9-17(16)21(25)24(23-20)13-7-3-6-12-22/h4-5,10-11,14,16-17H,3,6-9,12-13H2,1-2H3
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>1.00E+5>-22.6n/an/a>1.00E+5n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM30126
PNG
(CHEMBL313041 | phthalazinone, 19)
Show SMILES COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12
Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19)
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>1.00E+5>-22.6n/an/a>1.00E+5n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50124565
PNG
(CHEMBL353333 | methyl 3-(4-iodophenyl)-(2S,3S)-8-a...)
Show SMILES COC(=O)[C@@H]1C2CCC(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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0.120n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Invitro competitive binding versus [N-methyl-3H]-WIN 35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT)


J Med Chem 46: 925-35 (2003)


Article DOI: 10.1021/jm0100180
BindingDB Entry DOI: 10.7270/Q2W66K4V
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
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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0.200n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]CFT from human DAT expressed in COS7 cells


J Med Chem 48: 7513-6 (2005)


Article DOI: 10.1021/jm050431y
BindingDB Entry DOI: 10.7270/Q27M07HM
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
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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0.220n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding constant for the ability to displace [3H]mazindol to dopamine receptor was calculated from the Cheng-Prusoff relationship


Bioorg Med Chem Lett 3: 1327-1332 (1993)


Article DOI: 10.1016/S0960-894X(00)80341-8
BindingDB Entry DOI: 10.7270/Q2RJ4JZN
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50085072
PNG
(1-{2-[(3-Fluoro-phenyl)-(4-fluoro-phenyl)-methoxy]...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1cccc(F)c1
Show InChI InChI=1S/C28H32F2N2O/c29-26-13-11-24(12-14-26)28(25-9-4-10-27(30)22-25)33-21-20-32-18-16-31(17-19-32)15-5-8-23-6-2-1-3-7-23/h1-4,6-7,9-14,22,28H,5,8,15-21H2
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0.360n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Competitive binding versus [N-methyl-3H]-WIN 35,428 in murine kidney cells transfected with human dopamine transporter


J Med Chem 43: 639-48 (2000)


Article DOI: 10.1021/jm9902234
BindingDB Entry DOI: 10.7270/Q27S7N07
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50323773
PNG
(CHEMBL1214007 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)N2C\C=C\CF
Show InChI InChI=1S/C19H23BrFNO2/c1-24-19(23)18-16(13-4-6-14(20)7-5-13)12-15-8-9-17(18)22(15)11-3-2-10-21/h2-7,15-18H,8-12H2,1H3/b3-2+/t15?,16-,17?,18+/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from human DAT


J Med Chem 53: 5549-57 (2010)


Article DOI: 10.1021/jm100269c
BindingDB Entry DOI: 10.7270/Q2KK9CRK
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50183549
PNG
((S)-(+)-4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1...)
Show SMILES O[C@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C29H33F2NO2/c30-26-10-6-24(7-11-26)29(25-8-12-27(31)13-9-25)34-19-16-22-14-17-32(18-15-22)21-28(33)20-23-4-2-1-3-5-23/h1-13,22,28-29,33H,14-21H2/t28-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from DAT


J Med Chem 49: 1766-72 (2006)


Article DOI: 10.1021/jm050766f
BindingDB Entry DOI: 10.7270/Q2KS6R5F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM81946
PNG
(CAS_96850-13-4 | LU 19,005 | LU 19-005)
Show SMILES CN[C@H]1C[C@@H](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/t13-,16+/m1/s1
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0.410n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Mol Pharmacol 45: 125-35 (1994)


BindingDB Entry DOI: 10.7270/Q2NG4P5C
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50118598
PNG
(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-1-(3-p...)
Show SMILES Fc1ccc(cc1)C(OCCC1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C29H31F2NO/c30-27-12-8-25(9-13-27)29(26-10-14-28(31)15-11-26)33-22-18-24-16-20-32(21-17-24)19-4-7-23-5-2-1-3-6-23/h1-15,24,29H,16-22H2/b7-4+
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0.450n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards dopamine transporter (DAT) by using [125I]-RTI-55 radioligand


J Med Chem 45: 4371-4 (2002)


Article DOI: 10.1021/jm020264r
BindingDB Entry DOI: 10.7270/Q2RF5TCP
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50006774
PNG
((2S,3S)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...)
Show SMILES COC(=O)[C@@H]1C2CC[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+/m1/s1
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0.480n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
In vitro competitive binding versus [N-methyl-3H]-WIN 35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT)


J Med Chem 46: 925-35 (2003)


Article DOI: 10.1021/jm0100180
BindingDB Entry DOI: 10.7270/Q2W66K4V
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50006774
PNG
((2S,3S)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...)
Show SMILES COC(=O)[C@@H]1C2CC[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+/m1/s1
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0.480n/an/an/an/an/an/an/an/a



Yale School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to dopamine transporter in membranes of cells selectively expressing the human genes for DAT


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
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50085071
PNG
(3-(4-Iodo-phenyl)-6-methyl-6-aza-bicyclo[3.2.2]non...)
Show SMILES COC(=O)C1C2CCC(CN2C)C[C@@H]1c1ccc(I)cc1
Show InChI InChI=1S/C17H22INO2/c1-19-10-11-3-8-15(19)16(17(20)21-2)14(9-11)12-4-6-13(18)7-5-12/h4-7,11,14-16H,3,8-10H2,1-2H3/t11?,14-,15?,16?/m1/s1
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0.480n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
In vitro affinity determined using [3H]-WIN- 35428 in murine kidney cells transfected with human dopamine transporter (DAT)


J Med Chem 43: 639-48 (2000)


Article DOI: 10.1021/jm9902234
BindingDB Entry DOI: 10.7270/Q27S7N07
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
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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0.490n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Invitro competitive binding versus [N-methyl-3H]-WIN 35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT)


J Med Chem 46: 925-35 (2003)


Article DOI: 10.1021/jm0100180
BindingDB Entry DOI: 10.7270/Q2W66K4V
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50323774
PNG
(CHEMBL1214059 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2C\C=C\CF
Show InChI InChI=1S/C19H23FINO2/c1-24-19(23)18-16(13-4-6-14(21)7-5-13)12-15-8-9-17(18)22(15)11-3-2-10-20/h2-7,15-18H,8-12H2,1H3/b3-2+/t15?,16-,17?,18+/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from human DAT


J Med Chem 53: 5549-57 (2010)


Article DOI: 10.1021/jm100269c
BindingDB Entry DOI: 10.7270/Q2KK9CRK
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
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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0.5n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from DAT


J Med Chem 49: 1766-72 (2006)


Article DOI: 10.1021/jm050766f
BindingDB Entry DOI: 10.7270/Q2KS6R5F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50323772
PNG
(CHEMBL1214006 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C\C=C\CF
Show InChI InChI=1S/C19H23ClFNO2/c1-24-19(23)18-16(13-4-6-14(20)7-5-13)12-15-8-9-17(18)22(15)11-3-2-10-21/h2-7,15-18H,8-12H2,1H3/b3-2+/t15?,16-,17?,18+/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from human DAT


J Med Chem 53: 5549-57 (2010)


Article DOI: 10.1021/jm100269c
BindingDB Entry DOI: 10.7270/Q2KK9CRK
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
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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0.690n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
In vitro binding affinity against human dopamine transporter in dog kidney cell line by using [125I]-RTI-55 as radioligand


J Med Chem 47: 1122-35 (2004)


Article DOI: 10.1021/jm030384e
BindingDB Entry DOI: 10.7270/Q2154GG7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
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



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards dopamine transporter (DAT) by using [125I]-RTI-55 radioligand


J Med Chem 45: 4371-4 (2002)


Article DOI: 10.1021/jm020264r
BindingDB Entry DOI: 10.7270/Q2RF5TCP
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
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



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards dopamine transporter (DAT) by using [125I]-RTI-55 radioligand


J Med Chem 45: 4371-4 (2002)


Article DOI: 10.1021/jm020264r
BindingDB Entry DOI: 10.7270/Q2RF5TCP
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50183535
PNG
((R)-(+)-4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1...)
Show SMILES O[C@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C29H33F2NO2/c30-26-10-6-24(7-11-26)29(25-8-12-27(31)13-9-25)34-21-17-22-14-18-32(19-15-22)20-16-28(33)23-4-2-1-3-5-23/h1-13,22,28-29,33H,14-21H2/t28-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from DAT


J Med Chem 49: 1766-72 (2006)


Article DOI: 10.1021/jm050766f
BindingDB Entry DOI: 10.7270/Q2KS6R5F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50363762
PNG
(CHEMBL1947088)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C\C(I)=C\C(F)(F)F
Show InChI InChI=1S/C20H23F3INO2/c1-12-3-5-13(6-4-12)16-9-15-7-8-17(18(16)19(26)27-2)25(15)11-14(24)10-20(21,22)23/h3-6,10,15-18H,7-9,11H2,1-2H3/b14-10-/t15-,16+,17+,18-/m0/s1
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0.870n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from human cloned DAT receptor expressed in human HEK293 cells


Bioorg Med Chem 20: 1388-95 (2012)


Article DOI: 10.1016/j.bmc.2012.01.014
BindingDB Entry DOI: 10.7270/Q26T0N3Z
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
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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0.880n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding constant for [3H]dopamine uptake was calculated from the Cheng-Prusoff relationship


Bioorg Med Chem Lett 3: 1327-1332 (1993)


Article DOI: 10.1016/S0960-894X(00)80341-8
BindingDB Entry DOI: 10.7270/Q2RJ4JZN
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50183540
PNG
((S)-(-)-4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1...)
Show SMILES O[C@@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C29H33F2NO2/c30-26-10-6-24(7-11-26)29(25-8-12-27(31)13-9-25)34-21-17-22-14-18-32(19-15-22)20-16-28(33)23-4-2-1-3-5-23/h1-13,22,28-29,33H,14-21H2/t28-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from DAT


J Med Chem 49: 1766-72 (2006)


Article DOI: 10.1021/jm050766f
BindingDB Entry DOI: 10.7270/Q2KS6R5F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50183545
PNG
(CHEMBL444540 | R-(-)-4-[2-[bis-(4-fluorophenyl)met...)
Show SMILES C[C@@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C30H35F2NO/c1-23(21-25-5-3-2-4-6-25)22-33-18-15-24(16-19-33)17-20-34-30(26-7-11-28(31)12-8-26)27-9-13-29(32)14-10-27/h2-14,23-24,30H,15-22H2,1H3/t23-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from DAT


J Med Chem 49: 1766-72 (2006)


Article DOI: 10.1021/jm050766f
BindingDB Entry DOI: 10.7270/Q2KS6R5F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50085069
PNG
(3-(4-Chloro-phenyl)-6-methyl-6-aza-bicyclo[3.2.2]n...)
Show SMILES CC(C)OC(=O)C1C2CCC(CN2C)C[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C19H26ClNO2/c1-12(2)23-19(22)18-16(14-5-7-15(20)8-6-14)10-13-4-9-17(18)21(3)11-13/h5-8,12-13,16-18H,4,9-11H2,1-3H3/t13?,16-,17?,18?/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition constant against [N-methyl-3H]-WIN 35428 in murine kidney cells transfected with human dopamine transporter.


J Med Chem 43: 639-48 (2000)


Article DOI: 10.1021/jm9902234
BindingDB Entry DOI: 10.7270/Q27S7N07
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM172726
PNG
(US9096515, 33a -(R)-Isomer | US9296681, 33a-(R)-Is...)
Show SMILES C[C@@H](CCNCCCC(N)=O)CC1(CCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H28Cl2N2O/c1-14(7-11-23-10-2-4-18(22)24)13-19(8-3-9-19)15-5-6-16(20)17(21)12-15/h5-6,12,14,23H,2-4,7-11,13H2,1H3,(H2,22,24)/t14-/m0/s1
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0.910n/an/an/an/an/an/an/an/a



REVIVA PHARMACEUTICALS, INC.

US Patent


Assay Description
The compounds were evaluated using well established radioligand binding assays protocols (Galli, A. et al., J. Exp. Biol. 1995, 198, 2197-2212; Giros...


US Patent US9296681 (2016)


BindingDB Entry DOI: 10.7270/Q22B8WW4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM172726
PNG
(US9096515, 33a -(R)-Isomer | US9296681, 33a-(R)-Is...)
Show SMILES C[C@@H](CCNCCCC(N)=O)CC1(CCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H28Cl2N2O/c1-14(7-11-23-10-2-4-18(22)24)13-19(8-3-9-19)15-5-6-16(20)17(21)12-15/h5-6,12,14,23H,2-4,7-11,13H2,1H3,(H2,22,24)/t14-/m0/s1
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0.910n/an/an/an/an/an/an/an/a



REVIVA PHARMACEUTICALS, INC.

US Patent


Assay Description
The monoamine transporters inhibitory activities of selected compounds cycloalkylmethylamine derivatives comprising Formula (I) are reported herein. ...


US Patent US9096515 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MTK
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50202396
PNG
((RR/SS)-2-[1-(3,4-dichlorophenyl)butyl]piperidine ...)
Show SMILES CCCC(C1CCCCN1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H21Cl2N/c1-2-5-12(15-6-3-4-9-18-15)11-7-8-13(16)14(17)10-11/h7-8,10,12,15,18H,2-6,9H2,1H3
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0.970n/an/an/an/an/an/an/an/a



Massachusetts College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells


J Med Chem 50: 219-32 (2007)


Article DOI: 10.1021/jm0608614
BindingDB Entry DOI: 10.7270/Q2PN96F3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50118601
PNG
(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-1-(3-f...)
Show SMILES Fc1ccc(cc1)C(OCCC1CCN(C\C=C\c2ccco2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C27H29F2NO2/c28-24-9-5-22(6-10-24)27(23-7-11-25(29)12-8-23)32-20-15-21-13-17-30(18-14-21)16-1-3-26-4-2-19-31-26/h1-12,19,21,27H,13-18,20H2/b3-1+
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0.990n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards dopamine transporter (DAT) by using [125I]-RTI-55 radioligand


J Med Chem 45: 4371-4 (2002)


Article DOI: 10.1021/jm020264r
BindingDB Entry DOI: 10.7270/Q2RF5TCP
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50299799
PNG
(4-(4,5-difluoro-2-(4-fluorophenoxy)phenyl)piperidi...)
Show SMILES Fc1ccc(Oc2cc(F)c(F)cc2C2CCNCC2)cc1
Show InChI InChI=1S/C17H16F3NO/c18-12-1-3-13(4-2-12)22-17-10-16(20)15(19)9-14(17)11-5-7-21-8-6-11/h1-4,9-11,21H,5-8H2
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1n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50304049
PNG
(1-[3beta-(4-Chloro-phenyl)tropane-2beta-carbonyl-o...)
Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCCCCCn1cc(COC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)nn1
Show InChI InChI=1S/C39H49Cl2N5O4/c1-44-30-15-17-34(44)36(32(21-30)25-7-11-27(40)12-8-25)38(47)49-20-6-4-3-5-19-46-23-29(42-43-46)24-50-39(48)37-33(26-9-13-28(41)14-10-26)22-31-16-18-35(37)45(31)2/h7-14,23,30-37H,3-6,15-22,24H2,1-2H3/t30?,31?,32-,33-,34?,35?,36-,37+/m1/s1
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1n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...


Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50202400
PNG
((RR/SS)-2-[1-(3,4-dichlorophenyl)-3-methylbutyl]-p...)
Show SMILES CC(C)CC(C1CCCCN1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H23Cl2N/c1-11(2)9-13(16-5-3-4-8-19-16)12-6-7-14(17)15(18)10-12/h6-7,10-11,13,16,19H,3-5,8-9H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Massachusetts College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells


J Med Chem 50: 219-32 (2007)


Article DOI: 10.1021/jm0608614
BindingDB Entry DOI: 10.7270/Q2PN96F3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM81946
PNG
(CAS_96850-13-4 | LU 19,005 | LU 19-005)
Show SMILES CN[C@H]1C[C@@H](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/t13-,16+/m1/s1
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1n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Mol Pharmacol 45: 125-35 (1994)


BindingDB Entry DOI: 10.7270/Q2NG4P5C
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50118606
PNG
(1-(benzofuran-2-ylmethyl)-4-(2-(bis(4-fluorophenyl...)
Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2cc3ccccc3o2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C29H29F2NO2/c30-25-9-5-22(6-10-25)29(23-7-11-26(31)12-8-23)33-18-15-21-13-16-32(17-14-21)20-27-19-24-3-1-2-4-28(24)34-27/h1-12,19,21,29H,13-18,20H2
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1.01n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards dopamine transporter (DAT) by using [125I]-RTI-55 radioligand


J Med Chem 45: 4371-4 (2002)


Article DOI: 10.1021/jm020264r
BindingDB Entry DOI: 10.7270/Q2RF5TCP
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50055017
PNG
(7,8-Dichloro-5-(4-chloro-phenyl)-2,5-dihydro-3H-im...)
Show SMILES OC1(N2CCN=C2c2cc(Cl)c(Cl)cc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H11Cl3N2O/c17-10-3-1-9(2-4-10)16(22)12-8-14(19)13(18)7-11(12)15-20-5-6-21(15)16/h1-4,7-8,22H,5-6H2
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1.05n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]- RTI-55 from Dopamine transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50049363
PNG
(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-1-(3-p...)
Show SMILES Fc1ccc(cc1)C(OCCC1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C29H33F2NO/c30-27-12-8-25(9-13-27)29(26-10-14-28(31)15-11-26)33-22-18-24-16-20-32(21-17-24)19-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,24,29H,4,7,16-22H2
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1.10n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards dopamine transporter (DAT) by using [125I]-RTI-55 radioligand


J Med Chem 45: 4371-4 (2002)


Article DOI: 10.1021/jm020264r
BindingDB Entry DOI: 10.7270/Q2RF5TCP
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
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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1.10n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [125I]RTI-55 binding to dopamine transporter in HEK cells


Bioorg Med Chem Lett 13: 2151-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00386-x
BindingDB Entry DOI: 10.7270/Q2DN45K3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50183532
PNG
(4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1-(3,4-di...)
Show SMILES Fc1ccc(cc1)C(OCCC1CCN(CC2=Cc3ccccc3CC2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C31H33F2NO/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/h1-4,7-14,21,23,31H,5-6,15-20,22H2
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1.10n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from DAT


J Med Chem 49: 1766-72 (2006)


Article DOI: 10.1021/jm050766f
BindingDB Entry DOI: 10.7270/Q2KS6R5F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM202585
PNG
(US10035761, Compound 8j | US9238625, 8j)
Show SMILES CCOCCCCN[C@H](CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H33Cl2NO/c1-4-25-13-6-5-12-24-20(14-16(2)3)21(10-7-11-21)17-8-9-18(22)19(23)15-17/h8-9,15-16,20,24H,4-7,10-14H2,1-3H3/t20-/m1/s1
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1.16n/an/an/an/an/an/an/an/a



REVIVA PHARMACEUTICALS, INC.

US Patent


Assay Description
The compounds were evaluated using well established radioligand binding assays protocols (Galli, A. et al., J. Exp. Biol. 1995, 198, 2197-2212; Giros...


US Patent US9238625 (2016)


BindingDB Entry DOI: 10.7270/Q2CV4GKK
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM202585
PNG
(US10035761, Compound 8j | US9238625, 8j)
Show SMILES CCOCCCCN[C@H](CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H33Cl2NO/c1-4-25-13-6-5-12-24-20(14-16(2)3)21(10-7-11-21)17-8-9-18(22)19(23)15-17/h8-9,15-16,20,24H,4-7,10-14H2,1-3H3/t20-/m1/s1
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1.16n/an/an/an/an/an/an/an/a



Revivia Pharmaceuticals, Inc.

US Patent


Assay Description
The monoamine transporters inhibitory activities of selected cycloalkylmethylamines of Formula (I) are reported herein. The compounds were evaluated ...


US Patent US10035761 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50334458
PNG
(CHEMBL1643901 | N-(3-Fluorobenzyl)-N-methyl-8-amin...)
Show SMILES CN(Cc1cccc(F)c1)[C@@H]1C2C3CC4C5CC(C2C35)C14
Show InChI InChI=1S/C19H22FN/c1-21(8-9-3-2-4-10(20)5-9)19-16-12-7-13-15-11(12)6-14(16)17(15)18(13)19/h2-5,11-19H,6-8H2,1H3/t11?,12?,13?,14?,15?,16?,17?,18?,19-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 form human DAT expressed in HEK cell membranes


Bioorg Med Chem Lett 21: 38-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.075
BindingDB Entry DOI: 10.7270/Q20K28VR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50118605
PNG
(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-1-(3-t...)
Show SMILES Fc1ccc(cc1)C(OCCC1CCN(C\C=C\c2cccs2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C27H29F2NOS/c28-24-9-5-22(6-10-24)27(23-7-11-25(29)12-8-23)31-19-15-21-13-17-30(18-14-21)16-1-3-26-4-2-20-32-26/h1-12,20-21,27H,13-19H2/b3-1+
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1.30n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards dopamine transporter (DAT) by using [125I]-RTI-55 radioligand


J Med Chem 45: 4371-4 (2002)


Article DOI: 10.1021/jm020264r
BindingDB Entry DOI: 10.7270/Q2RF5TCP
More data for this
Ligand-Target Pair
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