Compile Data Set for Download or QSAR
Found 10577 Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter'
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50007404(1-(3-Chloro-phenyl)-4-phenethyl-piperazine | CHEMB...)
Show SMILES Clc1cccc(c1)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C18H21ClN2/c19-17-7-4-8-18(15-17)21-13-11-20(12-14-21)10-9-16-5-2-1-3-6-16/h1-8,15H,9-14H2
Affinity DataKi:  0.0400nMAssay Description:Displacement of [3H]WIN 35428 from dopamine transporter in rat striatum after 120 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM22165(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
Affinity DataKi:  0.0600nMAssay Description:In vitro binding affinity towards dopamine transporter in rat striatal membranes by [3H]GBR-12395 displacement.More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50494706(CHEMBL3093268)
Show SMILES Clc1ccccc1N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C18H21ClN2/c19-17-8-4-5-9-18(17)21-14-12-20(13-15-21)11-10-16-6-2-1-3-7-16/h1-9H,10-15H2
Affinity DataKi:  0.130nMAssay Description:Displacement of [3H]WIN 35428 from dopamine transporter in rat striatum after 120 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50032539((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
Affinity DataKi:  0.140nMAssay Description:Binding affinity towards dopamine transporter using [3H]-mazindol as radioligand in rat striatal membranes.More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50041293(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
Affinity DataKi:  0.140nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM22165(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
Affinity DataKi:  0.150nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50123257(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
Affinity DataKi:  0.200nMAssay Description:Inhibition of reuptake of DA into striatal nerve endings (synaptosomes)More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM50101075((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
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]CFT from human DAT expressed in COS7 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50032536((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
Affinity DataKi:  0.220nMAssay Description:Binding affinity towards dopamine transporter using [3H]-mazindol as radioligand in rat striatal membranes.More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM50004167((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
Affinity DataKi:  0.220nMAssay Description:Binding constant for the ability to displace [3H]mazindol to dopamine receptor was calculated from the Cheng-Prusoff relationshipMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50035766(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
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]-CIT from dopamine transporter of rat striatal homogenateMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50032534((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
Affinity DataKi:  0.310nMAssay Description:Binding affinity towards dopamine transporter using [3H]-mazindol as radioligand in rat striatal membranes.More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50032539((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
Affinity DataKi:  0.310nMAssay Description:Inhibition of [3H]dopamine binding to rat striatal synaptosome dopamine transporterMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM50085072(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
Affinity DataKi:  0.360nMAssay Description:Competitive binding versus [N-methyl-3H]-WIN 35,428 in murine kidney cells transfected with human dopamine transporterMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50334460(((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
Affinity DataKi:  0.370nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(MOUSE)
McNeil Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50014237(6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydr...)
Show SMILES CSc1ccc(cc1)C1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18?,19-/m1/s1
Affinity DataKi:  0.390nMAssay Description:Tested in vitro for serotonin(5-HT) neuronal uptake inhibitionMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM50323773(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
Affinity DataKi:  0.400nMAssay Description:Displacement of [125I]RTI55 from human DATMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM50183549((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
Affinity DataKi:  0.400nMAssay Description:Displacement of [125I]RTI-55 from DATMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50006784(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
Affinity DataKi:  0.400nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM81946(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
Affinity DataKi:  0.410nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50156916((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
Affinity DataKi:  0.420nMAssay Description:Displacement of [3H]WIN 35428 from DAT in rat striatal membraneMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50004167((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
Affinity DataKi:  0.420nMAssay Description:Binding affinity towards dopamine transporter using [3H]-mazindol as radioligand in rat striatal membranes.More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM22167(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
Affinity DataKi:  0.420nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM22165(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
Affinity DataKi:  0.430nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(MOUSE)
McNeil Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
Affinity DataKi:  0.440nMAssay Description:Tested in vitro for dopamine(DA) neuronal uptake inhibitionMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM50118598(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+
Affinity DataKi:  0.450nMAssay Description:Binding affinity of the compound towards dopamine transporter (DAT) by using [125I]-RTI-55 radioligandMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM50006774((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
Affinity DataKi:  0.480nMAssay Description:In vitro competitive binding versus [N-methyl-3H]-WIN 35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT)More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM50006774((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
Affinity DataKi:  0.480nMAssay Description:Binding affinity to dopamine transporter in membranes of cells selectively expressing the human genes for DATMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM50085071(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
Affinity DataKi:  0.480nMAssay Description:In vitro affinity determined using [3H]-WIN- 35428 in murine kidney cells transfected with human dopamine transporter (DAT)More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM50323774(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
Affinity DataKi:  0.5nMAssay Description:Displacement of [125I]RTI55 from human DATMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM50183539(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
Affinity DataKi:  0.5nMAssay Description:Displacement of [125I]RTI-55 from DATMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50155454(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
Affinity DataKi:  0.520nMAssay Description:Displacement of [3H]-CIT from dopamine transporter of rat striatal homogenateMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50155457(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
Affinity DataKi:  0.520nMAssay Description:Displacement of [3H]-CIT from dopamine transporter of rat striatal homogenateMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50155459(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
Affinity DataKi:  0.570nMAssay Description:Displacement of [3H]-CIT from dopamine transporter of rat striatal homogenateMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50052170((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
Affinity DataKi:  0.590nMAssay Description:Ability to inhibit [3H]dopamine uptake into rat striatal synaptosomesMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50004169((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
Affinity DataKi:  0.590nMAssay Description:Binding affinity towards dopamine transporter using [3H]-mazindol as radioligand in rat striatal membranes.More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM50323772(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
Affinity DataKi:  0.600nMAssay Description:Displacement of [125I]RTI55 from human DATMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM22165(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
Affinity DataKi:  0.620nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM85419(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
Affinity DataKi:  0.620nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50106857(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
Affinity DataKi:  0.640nMAssay Description:Binding affinity to dopamine transporter (DAT) in rat forebrain tissueMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50106857(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
Affinity DataKi:  0.640nMAssay Description:Ability to displace [3H]- beta-CIT from Dopamine transporter in rat striatal homogenateMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50041293(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
Affinity DataKi:  0.650nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50032534((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
Affinity DataKi:  0.660nMAssay Description:Inhibition of [3H]dopamine binding to rat striatal synaptosome dopamine transporterMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(MOUSE)
McNeil Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50014237(6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydr...)
Show SMILES CSc1ccc(cc1)C1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18?,19-/m1/s1
Affinity DataKi:  0.680nMAssay Description:Tested in vitro for serotonin(5-HT) neuronal uptake inhibitionMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM50106857(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
Affinity DataKi:  0.690nMAssay Description:In vitro binding affinity against human dopamine transporter in dog kidney cell line by using [125I]-RTI-55 as radioligandMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50041604(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+
Affinity DataKi:  0.690nMAssay Description:Inhibitory constant towards reuptake of [125I]-12 from dopamine transporter in rat striatal membranesMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50056569(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
Affinity DataKi:  0.700nMAssay Description:Displacement of [125I]RTI55 from DAT in rat brain synaptosomesMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50118599(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
Affinity DataKi:  0.700nMAssay Description:Affinity at rat dopamine transporter using [125I]-RTI-55 displacement.More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50057628((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
Affinity DataKi:  0.700nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM50118599(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
Affinity DataKi:  0.710nMAssay Description:Binding affinity of the compound towards dopamine transporter (DAT) by using [125I]-RTI-55 radioligandMore data for this Ligand-Target Pair
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